VMGSimUserManual DownLoadLy - Ir PDF

VMGSim v. 10.
0 Manual 1
Welcome to VMGSim Version 10.0
To view the Table of Contents in Adobe Reader, right click on the left hand column of
the document and select Bookmarks.
Copyright (c) 2002-2016 Virtual Materials Group, Inc. All Rights Reserved support@virtualmaterials.com
VMGSim v. 10.0 Manual 2
Copyright Notice
The copyright in this manual and its associated computer program are the property of Virtual Materials Group,
Inc. All rights reserved.
Both this manual and the associated computer program have been provided pursuant to a License Agreement
containing restrictions on use.
Virtual Materials Group reserves the right to make changes to this manual or its accompanying software without
obligation to notify any person or organization.
No part of this manual may be reproduced, transmitted, transcribed, stored in a retrieval system, or translated
into any other language, in any form or by any means without the prior written consent of Virtual Materials
Group, Inc. 300 - 3553 31 Street NW, Calgary, AB, Canada, T2L 2K7.
© 2002-2016 Virtual Materials Group, Inc.
Windows95, Windows 98, Windows 2000, Windows XP, Windows NT, Visio and Excel are registered trade-
marks of Microsoft
Sim42 is a registered trademark of the SIM42 Foundation.
Use is made of the following components from SuiteSparse: AMD, BTF, COLAMD, KLU, UMFPACK. SuiteS-
parse is available from http://www.cise.ufl.edu/research/sparse/SuiteSparse/ and the excellent work of Tim
Davis and other authors of the packages is gratefully acknowledged.
The current version used is SuiteSparse v3.2.0, except that UMFPACK v5.0.2 has been substituted, since it is
available under LGPL as opposed to GPL.
The code is compiled and used as a dynamic link library to comply with the terms of the LGPL associated with
some of the packages. A zip file with the source code and build files accompanies this document.
While the license permits free use and modification of the package by anyone, Virtual Materials Group can
provide technical support for the VMGSim simulator only when it is used with the compiled library as supplied,
since any changes to the library behavior may impact the simulator performance in unpredictable ways.
Use is made of the LightOPC server library which is made available thanks to the efforts of enthusiasts from
Lab43. LightOPC is released under the LGLP v.2. license available from: http://www.gnu.org/copyleft/lgpl.html.
Source code from this application can be found in http://www.ipi.ac.ru/lab43/lopc-en.html.
Use is made of the IPOPT numerical library for optimization released as open source under the Common
Public License (CPL, http://www.eclipse.org/legal/cpl-v10.html) thanks to the efforts of people from the
COIN|OR foundation. The source code is available from https://projects.coin-or.org/Ipopt.
VMGSim Contacts
Contacting Virtual Materials Group
Website: www.virtualmaterials.com
Canada Europe
Virtual Materials Group, Inc. Virtual Materials Group Europe, S.L.
Alastair Ross Technology Centre Gran Vía Carles III, 98, P.10,
#300, 3553 - 31 Street NW 08028
Calgary, AB, Canada T2L 2K7 Barcelona,Spain
Tel: 1-403-457-4595 Tel: +34 934097286

Fax: 1-403-457-4637
Support: 1-403-288-3587 Michele Manzulli
Toll Free: 1-855-6-VMGSim michele.manzulli@virtualmaterials.com
James van der Lee Support:

james@virtualmaterials.com support.europe@virtualmaterials.com
Dean Helney: virtualmaterialseurope.com

dean@virtualmaterials.com
Japan United States
VMG Japan Corporation Virtual Materials Group, Inc. USA
Akasaka Lions Building 8F 17171 Park Row Drive, Suite 273
1-1-2, Motoakasaka Houston, TX , USA
Minato-ku, Tokyo 107-0051 Japan 77084
Tel: +1 (281) 944-9902
support.jp@virtualmaterials.com Fax: +1 (832) 369-7751
Toll Free: 1-855-6-VMGSIM
Norio Takayama
Tel: +81-3-6721-1857 Gerald Jacobs
norio@virtualmaterials.com gerald@virtualmaterials.com
Hideo Iketani Andrew Nathan

Tel: +81-3-6721-1857 andrew@virtualmaterials.com
hideoiktn@virtualmaterials.com
support.usa@virtualmaterials.com
Australia/New Zealand Brazil

Saybry Limited InnovaPro Ltda.
47 Stranolar Drive Rua Dr. Cid de Castro Prado
Mt. Roskill Sth. 108 – Sao Paulo, SP Brazil
Auckland 1041 CEP: 04116-040
New Zealand
Tel: (55) 11-5091-3900
Phone: +64 9 627 3018
Pedro Martins Alves
Brent Young pedro.alves@innovapro.com.br
saybry@virtualmaterials.com
China Mexico
International Innotech Inc. Aplicaciones Avanzadas para Optimizaciones de Pro-
Beijing Office cesos (AAOP)
Ocean Express, A-1502 Av. Mariano Escobedo #752-1603
66 Xiaguang Li, Chaoyang District Colonia Nueva Anzures, México D.F. 11590
Beijing 100027 China
Javier Sanchez
Tel: +86-10-8446-7078 Tel: +52 55 5531 9918
arturojavier.sanchez@aaop.com.mx
support.cn@virtualmaterials.com
Ricky Hsu
ricky@virtualmaterials.com
Middle East North Africa
Enterprise Business Solutions W.L.L Process Village
P.O Box: 18384 14c, Road #198, Digla
Farwaniya, Kuwait Maadi, Cairo Egypt
81004
Tel: +20-2519-1282
Mr. Mohammed Farhat
Tel: +965 2475-1764 Hossam Attia
mfarhat@ebs-group.net hossam.attia@virtualmaterials.com
Russia South Korea
Sadovnicheskaya ul., 82/2, CMSI Inc.
115035, Moscow, Russia (Suite7, Taeyang21 Bldg., Yeoksam-dong)
Tel: +7 495 641185
Yeoksam-ro, Gangnam-gu, Seoul 135-080, South
Korea
support.russia@virtualmaterials.com
Tel: +82-2-2051-2312
Fax: +82-2-2051-2306
Ian Jeon
Ian.jeon@cmsikorea.com
VMGSim Installation
Check List
1)Download the newest version of VMGSim from the Virtual Materials Group website at http://vir-
tualmaterials.com . You may also have obtained VMGSim directly from Virtual Materials or from one of Virtual
Materials Group Associates on a CD.
2)Make sure that you have Administrator privileges on the computer you want to install VMGSim on. You may
need to have someone from your IT department to perform the installation for you
3)Make sure you have at least 600 MB free for the installation of VMGSim.
4)If you are using VMGSim with Microsoft Visio, please fully install and activate Visio before installing VMGSim.
5)If you are performing a network installation please see the instructions at the end of this section.
You will need Administrator privileges to install VMGSim in your system.
System Requirements
Minimum System Requirements
Minimum Software requirements:
• Windows XP (32-bit) / Windows Vista (32-bit) / Windows 7 (32-bit)
• Microsoft Visio Standard Edition 2007
• Microsoft Excel 2007
• Microsoft Word 2007
Minimum Hardware Requirements:

• Pentium IV @ 1.8 GHz / Dual Core @ 1.67 GHz
• 512 MB RAM (1 GB for Windows Vista)
• Monitor resolution 1024x768
Recommended System Specifications

Software:
• Windows 7 (32-bit) / Windows 7 (64-bit)
• Microsoft Visio Standard Edition 2013 (32-bit)
• Microsoft Excel 2013 (32-bit)
• Microsoft Word 2013 (32-bit)
Hardware:
• Pentium IV @ 3.0 GHz / Dual Core @ 3.16 GHz
• 2 GB RAM
• Monitor resolution 1920x1080
Typical Single User Installation

Normally, you would obtain the VMGSim installation program by downloading it from our website or from a CD
sent to you. Locate the installer in your computer and run it by double-clicking on it. Depending on your settings
you might see a message similar to the following:
Click Yes.
The self-extractor will prepare all the necessary files for installation. At the end of the self-extraction process the
following dialog will appear:
Click Next.
After reading and agreeing to the license agreement by clicking I Agree the following form will appear:
You can use the Browse… button to install VMGSim anywhere in your system. In this case we will simply
accept the default location. Click Install to begin the installation of VMGSim.
When the installation is completed the following form will appear requesting the computer be rebooted. The
computer must be rebooted in order for the installation to be completed; this can be done automatically by the
installer by selecting the “Reboot Now” option and clicking Finish. Alternatively the “I want to manually reboot
later” can be selected, the user would be required to reboot the computer.
Make sure you have saved any important work before restarting your computer
Using Visio 2010

By default, Microsoft Visio 2010 disables “data execution” which prevents VMGSim from working if the PFD
engine is enabled.
Following are the steps to enable this “data execution” setting:

1. Open Microsoft Visio 2010
2. Select the Help option from the File menu and Open the Options window
3. Go to the Trust Center tab and Click on the Trust Center Settings button
4. Go to the DEP Settings tab and Clear the “Enable Data Execution Prevention mode” checkbox.
Authorize a Computer Web License
After installing VMGSim on your computer you will need to configure a license that will allow you to run
VMGSim. The following details the procedure used to authorize a web license. (If you are using a usb license
key please refer to the appropriate section later in the manual.)
Start VMGSim by double-clicking on the desktop icon.
Once VMGSim starts Select License Manager from the Help Menu.
Once the License Manager starts select the Web License Tab and enter the User Name and password sup-
plied to you by your VMG representative. Then click the Authorize Computer button.
Note that both the User Name and password are case sensitive and you will need to be connected to the inter-
net to authorize your machine.
Once the Computer has been authorized a summary of the web license will be provided.
At this point you can either create a new case or open an existing case.
Starting VMGSim for the First Time

VMGSim can be configured in many ways to meet your hardware and software configuration and to more
closely adapt to your work processes. The first time you run VMGSim, you will be given the opportunity to
modify a subset of the configurable settings provided in VMGSim.
Double-click the VMGSim icon displayed on your desktop to run the program.
From the file menu select new case. The following form will appear:
You can accept the default settings for VMGSim or you can click on the Customize button to change these set-
tings. Selecting Customize will show you se following form:
Please note that if you already have created a personal preference file, you can import the existing preferences
file by clicking the Import button on this form.
In this form you can configure the system to use Visio, by clicking in the right-hand blue-shaded column and
using the dropdown selecting the appropriate response. You can set the default unit system preference for your
simulation cases. To change your preference to SI units, click on the Value currently Field and use the drop-
down to find the SI Option. Other preferences available on this menu include:
•Auto display of Property Package options when a new case is created

•Cursor control following the <enter> key
•Selection of additional physical properties for the default stream display
•Optionally reset the default prefixes assigned to new unit operations added to a simulation
These settings can be modified later by selecting Tools->Options from the VMGSim Menu bar with a case star-
ted.
Checking for New Versions

VMGSim is being continually updated. If you have an Internet connection you can check for the availability of
new versions easily. Click on the Help menu and select Check Version:
VMGSim will check if you current installation is the latest available version.
VMGSim will contact one of Virtual Materials Group web servers and check for the availability of a new version.
If a new version is available proceed to http://virtualmaterials.com to download the latest version or contact your
VMG representative.
Multiple Versions of VMGSim

It is possible to have multiple versions of VMGSim installed on the same computer, though only one version can
be run at a time and the following procedure must carried out before a different version is used. Ensure all
VMGSim instances are closed and run the registerVMGSim.bat (by double clicking it) file in the VMGSimPkg
subfolder of the version you would like to run before starting VMGSim, then double click on the VMGSim.exe in
the same subfolder to launch VMGSim.
For example if you normally use version 7.0b46 of VMGSim but wanted to look at a case in version 6.5b25 you
would go to the directory where ver 6.5b25 is installed and double click registerVMGSim.bat, this updates the
registry to allow version 6.5b25 to run. Now you should be able to start VMGSim version 6.5b25. If you wanted
to return to running version 7.0b46 of VMGSim, you would navigate to the directory where version 7.0b46 is
installed and register that version using the batch file mentioned above.
USB Key Installation
Stand Alone USB Keys

Pre USB Key Installation Checklist:
l DO NOT CONNECT THE USB KEY TO THE COMPUTER BEFORE INSTALLING THE SENTINEL
PROTECTION DRIVERS.
l WARNING: If the USB key is connected to computer before the proper drivers are installed the operating system
may automatically install the wrong drivers, making the key unusable.
l Ensure that you have administrations privileges for the Server and Client computers.
l VMGSim must be locally installed on the client computers; this can be done before or after the USB key is
installed on the server. Follow the instructions of the VMGSim installer. Contact your local VMG representative to
obtain the latest version of VMGSim.
l If you currently have a soft license for VMGSim, disable it by adding the following text: LicensePath "None" to
the vmg.ini (located in <%VMGSim root directory%>\VMGSimPkg\vsimcom\vmg.ini) file in any VMGSim install-
ation on the server or client computers below the last reference to the LicensePath for example:
LicensePath "C:\Program Files\Common Files\VMGLicense"
LicensePath "None"
l To reconnect the soft license, simply delete the LicensePath “None” line of text in the vmg.ini file.
l Ensure that the Java 2 Runtime Environment (JRE) 1.4.2 or higher is installed on the server and any client com-
puter that you would like to allow to have access to the Sentinel License Monitor.
Using a Stand Alone Safenet Sentinel USB Security Key with

VMGSim v2.4.2 and above
The following describes the procedure to install, use and configure a Safenet Sentinel USB Security Key in a
stand alone application. Meaning that a single user license USB key will be connected to the computer where
VMGSim/VMGThermo will be installed and used.
USB Key Installation Steps:

1. With the USB key disconnected from the computer run the Sentinel Protection Installer 7.6.7.exe found
in the SentinelInstaller folder contained in the VMGSim installation directory.
2. Follow the Sentinel Protection Installer instructions and when prompted to select a custom installation
and include the both the Parallel and USB drivers. NOTE: Both drivers are required for the USB key to
be detected properly.
3. Connect the USB Key to the computer, you should see a message indicating the key has been detected
and is ready to use.
4. Start VMGSim and select the License Manager Option from the Help menu. Navigate to the Hardware
License tab and click the Edit Button. Make sure that the Stand-Alone option is selected and then press
OK.
This Will Cause the License Manager to shut down and reopen. You can check that the USB key can be seen
by the computer by Navigating to the Hardware license tab and clicking the Check Hardware License button,
this will print a summary of the key.
5. You can now start and use VMGSim.
Troubleshooting
1. Refer to the Sentinel Protection Installer 7.6.7.pdf for additional information regarding the Sentinel Pro-
tection Driver.
2. Below is the error code for the USB key, they are generally shown as return status values if they do not
help you resolve your problem please contact VMG support at support@virtualmaterials.com with any
error information that appears:
0 SP_ERR_SUCCESS
The function completed successfully.
1 SP_ERR_INVALID_FUNCTION_CODE
You specified an invalid function code. See the include file for your language/interface (for example,
upromeps.h) for valid API function codes. Generally, this error should not occur if you are using an interface
provided by us to communicate with the Sentinel Driver. However, it may occur when a stand-alone “only” func-
tion is used in a network situation.
2 SP_ERR_INVALID_PACKET
A checksum error was detected in the command packet, indicating an internal inconsistency. The packet record
has not been initialized, or may have been tampered with. Generally, this error should not occur if you are using
an interface provided by us to communicate with the Sentinel Driver.
3 SP_ERR_UNIT_NOT_FOUND
Unable to find the desired hardware key. Please verify if the key has been attached properly. Make sure you are
sending the correct parameters.
4 SP_ERR_ACCESS_DENIED
You attempted to perform an illegal action on a cell. For example, you may have tried to read an algorithm word,
write to a locked cell, or decrement a cell that is not a data or counter word.
5 SP_ERR_INVALID_MEMORY_ADDRESS
You specified an invalid memory address. You cannot operate on the restricted and reserved cells.
6 SP_ERR_INVALID_ACCESS_CODE
You specified an invalid access code. The access code must be 0 (read/write data), 1 (read-only data), 2
(counter) or 3 (algorithm/hidden).
7 SP_ERR_PORT_IS_BUSY
The requested operation could not be completed because the port is busy. This can occur if there is con-
siderable printer activity, or if a unit on the port is performing a write operation and is blocking the port. Try the
function again.
8 SP_ERR_WRITE_NOT_READY
The write or decrement operation could not be performed due to lack of sufficient
power. Try the function again.
9 SP_ERR_NO_PORT_FOUND
No parallel ports could be found, or there was a problem with the protocol being used on the network.
10 SP_ERR_ALREADY_ZERO
You tried to decrement a counter that contains the value zero.

12 SP_ERR_DRIVER_NOT_INSTALLED
The Sentinel Driver was not installed or detected. Communication to the hardware key was not possible. Verify
the device driver is correctly installed.
13 SP_ERR_IO_COMMUNICATIONS_ERROR
The system device driver is having problems communicating. Verify the device driver is correctly installed.
15 SP_ERR_PACKET_TOO_SMALL
The memory allocated for the API packet is less than the required size.
16 SP_ERR_INVALID_PARAMETER
Arguments and values passed to the API function are invalid.
18 SP_ERR_VERSION_NOT_SUPPORTED
The current system device driver is outdated. Update the driver.
19 SP_ERR_OS_NOT_SUPPORTED
The operating system or environment is not supported by the client library. Contact Technical Support for assist-
ance.
20 SP_ERR_QUERY_TOO_LONG
You sent a query string longer than 56 characters. Send a shorter string.
21 SP_ERR_INVALID_COMMAND
An invalid command was specified in the API call.
30 SP_ERR_DRIVER_IS_BUSY
The Sentinel Driver is busy. Try the function again.
31 SP_ERR_PORT_ALLOCATION_FAILURE
Failure to allocate a parallel port through the operating system’s parallel port
contention handler.
32 SP_ERR_PORT_RELEASE_FAILURE
Failure to release a previously allocated parallel port through the operating system’s
parallel port contention handler.
39 SP_ERR_ACQUIRE_PORT_TIMEOUT
Failure to access the parallel port within the defined time.
42 SP_ERR_SIGNAL_NOT_SUPPORTED
The particular system does not support a signal line. For example, an attempt may have been made to use the
ACK line on an NEC 9800 computer.
57 SP_ERR_INIT_NOT_CALLED
The key is not initialized. Call the SFNTsntlInitialize function before calling the function that generated this error.
58 SP_ERR_DRIVER_TYPE_NOT_SUPPORTED
The type of driver access, either direct I/O or system driver, is not supported for the defined operating system
and client library.
59 SP_ERR_FAIL_ON_DRIVER_COMM
The client library failed to communicate with the Sentinel Driver.
60 SP_ERR_SERVER_PROBABLY_NOT_UP
The protection server is not responding or the client has timed-out.
61 SP_ERR_UNKNOWN_HOST
The protection server host is unknown or not on the network, or an invalid host name was specified.
62 SP_ERR_SENDTO_FAILED
The client was unable to send a message to the protection server.
63 SP_ERR_SOCKET_CREATION_FAILED
Client was unable to open a network socket. Make sure the TCP/IP or IPX protocol stack is properly installed
on the system.
64 SP_ERR_NO_RESOURCES
Could not locate enough licensing requirements. Insufficient resources (such as
memory) are available to complete the request.
65 SP_ERR_BROADCAST_NOT_SUPPORTED
Broadcast is not supported by the network interface on the system.
66 SP_ERR_BAD_SERVER_MESSAGE
Could not understand the message received from the Sentinel Protection Server. An error occurred in decrypt-
ing (or decoding) the message at the client-end.
67 SP_ERR_NO_SERVER_RUNNING
Cannot communicate to the Sentinel Protection Server. It may not be available for processing the license
request on the specified host. Verify if the protection server is running on the system.
68 SP_ERR_NO_NETWORK
Unable to talk to the specified host. Network communication problems encountered.
69 SP_ERR_NO_SERVER_RESPONSE
There is no Sentinel Protection Server running in the subnet, or the desired key is not available.
70 SP_ERR_NO_LICENSE_AVAILABLE
All licenses are currently in use. The key has no more licenses to issue.
71 SP_ERR_INVALID_LICENSE
License is no longer valid. It probably expired due to time-out.

72 SP_ERR_INVALID_OPERATION
Specified operation cannot be performed. Probably, you tried setting the protection server after obtaining a
license, or tried to call the SFNTsntlGetLicense function on a
packet that already has a license.
73 SP_ERR_BUFFER_TOO_SMALL
The size of the buffer is not sufficient to hold the expected data.
74 SP_ERR_INTERNAL_ERROR
An internal error, such as failure to encrypt or decrypt a message being sent or received, has occurred.
75 SP_ERR_PACKET_ALREADY_INITIALIZED
The API packet was already initialized.
76 SP_ERR_PROTOCOL_NOT_INSTALLED
The specified protocol is not installed.
101 SP_ERR_NO_LEASE_FEATURE
The element does not contain any lease period. Probably, this is not a Full License element.
102 SP_ERR_LEASE_EXPIRED
The date up to which the trial version of the application was valid (expiration date) has reached before the applic-
ation was first run.
103 SP_ERR_COUNTER_LIMIT_REACHED
The value requested for the decrement operation exceeds the current counter value.
104 SP_ERR_NO_DIGITAL_SIGNATURE
The Sentinel Driver binary is not signed by a valid authority.
105 SP_ERR_SYS_FILE_CORRUPTED
The digital certificate of the Sentinel Driver is not valid.
106 SP_ERR_STRING_BUFFER_TOO_LONG
The length of the string must not exceed 50 characters.
Network USB Keys

Pre Network USB Key Installation Checklist:
l DO NOT CONNECT THE USB KEY TO THE COMPUTER BEFORE INSTALLING THE SENTINEL
PROTECTION DRIVERS.
l WARNING: If the USB key is connected to computer before the proper drivers are installed the operating system
may automatically install the wrong drivers, making the key unusable.
l The key server can either be the main network server or a separate computer on the network that will be a ded-
icated key server. The remainder of this document will refer to the key server simply as the Server.
l The USB key drivers only need to be installed on the key Server computer; they are not required on the client
computers.
l Ensure that you have administrations privileges for the Server and Client computers.
l The Server does not require VMGSim to be locally installed. The necessary drivers and additional utility files are
contained in the Sentinel_Protection_Installer_7.6.7.exe which can be found in the Sentinel Installer folder con-
tained in the VMGSim installation directory (eg C;\Program Files\VMG\VMGSimPkg\..).
l If you’d like to have VMGSim installed on the Server computer contact your local VMG representative to obtain
the latest version of VMGSim. Follow the VMGSim installer instructions with regards to restarting the computer.
l VMGSim must be locally installed on the client computers; this can be done before or after the USB key is
installed on the server. Follow the instructions of the VMGSim installer. Contact your local VMG representative to
obtain the latest version of VMGSim.
l If you currently have a soft license for VMGSim, disable it by adding the following text: LicensePath "None" to
the vmg.ini (located in <%VMGSim root directory%>\VMGSimPkg\vsimcom\vmg.ini) file in any VMGSim install-
ation on the server or client computers below the last reference to the LicensePath for example:
LicensePath "C:\Program Files\Common Files\VMGLicense"
LicensePath "None"
l To reconnect the soft license, simply delete the LicensePath “None” line of text in the vmg.ini file.
l Ensure that the Java 2 Runtime Environment (JRE) 1.4.2 or higher is installed on the server and any client com-
puter that you would like to allow to have access to the Sentinel License Monitor.
Using Safenet Sentinel USB Security Keys with VMGSim v2.4.2

and above in Network Applications
The following describes the procedure to install and use a Safenet Sentinel USB Security Key with VMGSim in
a Network Application. Meaning that the network USB key will be connected to a key server computer which
will transmit license information to client computers where VMGSim will be used. The key server can either be
the main network server or a separate computer on the network that will be a dedicated key server. The
remainder of this document will refer to the key server simply as the Server.
Server Installation
1. With the USB key disconnected run the Sentinel Protection Installer 7.6.7.exe on the Server.
2. Follow the Sentinel Protection Installer instructions and perform a complete installation. If there are fire-
walls enabled on the network the installer will ask to modify the Servers firewall settings, allow this so that
the USB key can be accessed by the client computers. For further details on the configuring the firewall
settings consult the Server Firewall Configuration section.
3. Connect the USB Key to the Server, you should see a message indicating the key has been detected
and is ready to use.
4. If VMGSim is installed on the server you can check the status of the key by doing the following:
l Start VMGSim and create a new project.
l Open the Help menu and select License Manager. Navigate to the Hardware license tab and then click
on the Check Hardware License button. This will display a summary of the contents of the USB key.
Alternatively you could start VMGSim and create a new project, Open the Tools menu and select Hard-
ware Key Info. This should display the specifics of the USB license key, in the CLI window.
l You will now be able to use VMGSim on the server computer.
5. If VMGSim is not installed locally on the Server the status of the USB key can be examined using the
Sentinel License Monitor.
l Start 'Internet Explorer' and type the IP address of the server followed by :6002 in the address bar. For
example http://192.168.1.100:6002. This will launch the Sentinel License Monitor to allow the status of
the key to be viewed.
l Please note that this may only work with Internet Explorer and not Mozilla.
6. For additional network installation information see the help file located in the 'SentinelSysAdminHelp'
sub-folder which can also be found in the installation folder of VMGSim, this contains information for sys-
tem administrators managing network keys. The Sentinel Protection Installer 7.6.7.pdf also contains addi-
tional information about the Sentinel Protection driver and the Sentinel License Monitor
Server Firewall Configuration

1. Make sure that the Sentinel Protection Server Service is started. To check this Open the Service Man-
ager (Control Panel -> Administrative Tools -> Services) and check the status of the Sentinel Protection
Server Service. If it is “disabled” or blank activate it by right clicking the Sentinel Protection Server Ser-
vice and selecting Properties. Use the pull down menu to switch the Startup type to Automatic, apply the
changes. Then right click on the Sentinel Protection Server Service again and select Start, the status
should switch to “Started”. This will also cause the Sentinel Protection Server Service to be started
whenever the computer is restarted.
2. Open your firewall configuration settings and navigate to the area where exceptions (eg Windows XP
Firewall) can be made or permission can be granted (eg McAfee.Firewall).
3. Check to see if the Sentinel Protection Server is in the available list of programs and services that can be
granted an exception/permission, if so allow it to have full access.
l If you do not see the Sentinel Protection Server listed it can be added by selecting Add Program selecting
the spnsrv9x.exe for windows 9x systems or spnsrvnt.exe for windows NT-based systems. These execut-
ables will be found in the following directory: <OS Drive>\ProgramFiles\CommonFiles\SafeNet
Sentinel\Sentinel ProtectionServer.
l Once added to the list of programs services, allow it to have full access.
4. Further configuration can be done in order to limit which client computers can access the Sentinel Pro-
tection Server Service/ USB key on the Server.
Client Installation
1. If the latest version of VMGSim has not been installed locally on the client machine(s) do so now. Follow
the directions of the VMGSim installer.
2. Start VMGSim and Select License Manager from the Help Menu.
3. Navigate to the Hardware license tab and then click the Edit button. In the form that appears select the
Network Option. Select the Server Name or IP Address option and then enter either your Server Name
or the IP Address of the server. For example using an IP address:
Or using the name of the server computer, note that the name is not case sensitive.
4. Click the OK button and then click Ok to the dialog box that appears:
5. This will shutdown and reopen the License Manager form. To verify that the USB key can be viewed from
this client, navigate to the Hardware License tab and click on the Check Hardware License button. This
will display a summary of the contents of the USB key. Alternatively you could start VMGSim and create
a new project, Open the Tools menu and select Hardware Key Info. This should display the specifics of
the USB license key, in the CLI window.
6. You will now be able to use VMGSim.
Client Firewall Settings

Depending on the configuration of the firewall on Client computer VMGSim may be prevented from being able
to detect the USB key on the Server. If this is the case the following procedure can be used to resolve this issue.
1. Open your firewall configuration settings and navigate to the area where exceptions (eg Windows XP
Firewall) can be made or permission can be granted (eg McAfee.Firewall).
2. Check to see if VMGSim is in the available list of programs and services that can be granted an excep-
tion/permission, if so allow it to have full access.
l If you do not see VMGSim listed it can be added by selecting Add Program selecting the VMGSim.exe
contained in the VMGSim installation directory eg. C:\ProgramFiles\VMG\VMGSimPkg
l Once added to the list of programs services, allow it to have full access.
Sentinel License Monitor:

The Sentinel License Monitor, can be used to perform a variety of different functions such as checking the
details of the client (such as, the user name, login time, and client process ID) who have currently obtained the
license(s) from the key, track how many licenses are currently in use and canceling the licenses issued to cli-
ents. More specific details about the Sentinel License Manager can be found in the Sentinel Protection Installer
7.6.7.pdf, but the following shows how to access the License Manager. Note that the license manager can be
accessed by the server or client computer and that JRE 1.4.2 or higher must be installed on the computer
where the access is attempted.
l Start 'Internet Explorer' and type the IP address of the server followed by :6002 in the address bar. For
example http://192.168.1.100:6002. this will launch the Sentinel License Monitor to allow the status of the
key to be viewed.
l Please note that this may only work with Internet Explorer and not Mozilla. You can find the IP address of
your network computer by opening a 'Command Prompt' window, and type the command ipconfig.
Remote License Updating:

The 'SentinelFieldActivation' sub-folder contains a utility program 'FieldActUtil.exe' . It can be used to update
the license remotely. Please refer to the help file in this sub-folder for more information
Troubleshooting
1. If you get a time out error, or OLE automation error with the ‘object disconnected’ error, please decrease
the heart beat value in the VMGSim.ini file. Change the value of the LogFile.HeartBeat setting from 3 to
1.
2. Make sure that the Sentinel Protection Server Service is started. To check this Open the Service Man-
ager (Control Panel -> Administrative Tools -> Services) and check the status of the Sentinel Protection
Server Service. If it is “disabled” or blank activate it by right clicking the Sentinel Protection Server Ser-
vice and selecting Properties. Use the pull down menu to switch the Startup type to Automatic, apply the
changes. Then right click on the Sentinel Protection Server Service again and select Start, the status
should switch to “Started”. This will also cause the Sentinel Protection Server Service to be started
whenever the computer is restarted.
3. Refer to the Sentinel Protection Installer 7.6.7.pdf for additional information regarding the Sentinel Pro-
tection Driver.
4. Below is the error code for the USB key. They are generally shown as return status values. If they do not
help you resolve your problem please contact VMG support at support@virtualmaterials.com with any
error information that appears:
0 SP_ERR_SUCCESS
The function completed successfully.
1 SP_ERR_INVALID_FUNCTION_CODE
You specified an invalid function code. See the include file for your language/interface (for example,
upromeps.h) for valid API function codes. Generally, this error should not occur if you are using an interface
provided by us to communicate with the Sentinel Driver. However, it may occur when a stand-alone “only” func-
tion is used in a network situation.
2 SP_ERR_INVALID_PACKET
A checksum error was detected in the command packet, indicating an internal inconsistency. The packet record
has not been initialized, or may have been tampered with. Generally, this error should not occur if you are using
an interface provided by us to communicate with the Sentinel Driver.
3 SP_ERR_UNIT_NOT_FOUND
Unable to find the desired hardware key. Please verify if the key has been attached properly. Make sure you are
sending the correct parameters.
4 SP_ERR_ACCESS_DENIED
You attempted to perform an illegal action on a cell. For example, you may have tried to read an algorithm word,
write to a locked cell, or decrement a cell that is not a data or counter word.
5 SP_ERR_INVALID_MEMORY_ADDRESS
You specified an invalid memory address. You cannot operate on the restricted and reserved cells.
6 SP_ERR_INVALID_ACCESS_CODE
You specified an invalid access code. The access code must be 0 (read/write data), 1 (read-only data), 2
(counter) or 3 (algorithm/hidden).
7 SP_ERR_PORT_IS_BUSY
The requested operation could not be completed because the port is busy. This can occur if there is con-
siderable printer activity, or if a unit on the port is performing a write operation and is blocking the port. Try the
function again.
8 SP_ERR_WRITE_NOT_READY
The write or decrement operation could not be performed due to lack of sufficient
power. Try the function again.
9 SP_ERR_NO_PORT_FOUND
No parallel ports could be found, or there was a problem with the protocol being used on the network.
10 SP_ERR_ALREADY_ZERO
You tried to decrement a counter that contains the value zero.
12 SP_ERR_DRIVER_NOT_INSTALLED
The Sentinel Driver was not installed or detected. Communication to the hardware key was not possible. Verify
the device driver is correctly installed.
13 SP_ERR_IO_COMMUNICATIONS_ERROR
The system device driver is having problems communicating. Verify the device driver is correctly installed.
15 SP_ERR_PACKET_TOO_SMALL
The memory allocated for the API packet is less than the required size.
16 SP_ERR_INVALID_PARAMETER
Arguments and values passed to the API function are invalid.
18 SP_ERR_VERSION_NOT_SUPPORTED
The current system device driver is outdated. Update the driver.
19 SP_ERR_OS_NOT_SUPPORTED
The operating system or environment is not supported by the client library. Contact Technical Support for assist-
ance.
20 SP_ERR_QUERY_TOO_LONG
You sent a query string longer than 56 characters. Send a shorter string.
21 SP_ERR_INVALID_COMMAND
An invalid command was specified in the API call.
30 SP_ERR_DRIVER_IS_BUSY
The Sentinel Driver is busy. Try the function again.
31 SP_ERR_PORT_ALLOCATION_FAILURE
Failure to allocate a parallel port through the operating system’s parallel port
contention handler.
32 SP_ERR_PORT_RELEASE_FAILURE
Failure to release a previously allocated parallel port through the operating system’s
parallel port contention handler.
39 SP_ERR_ACQUIRE_PORT_TIMEOUT
Failure to access the parallel port within the defined time.
42 SP_ERR_SIGNAL_NOT_SUPPORTED
The particular system does not support a signal line. For example, an attempt may have been made to use the
ACK line on an NEC 9800 computer.
57 SP_ERR_INIT_NOT_CALLED
The key is not initialized. Call the SFNTsntlInitialize function before calling the function that generated this error.
58 SP_ERR_DRIVER_TYPE_NOT_SUPPORTED
The type of driver access, either direct I/O or system driver, is not supported for the defined operating system
and client library.
59 SP_ERR_FAIL_ON_DRIVER_COMM
The client library failed to communicate with the Sentinel Driver.
60 SP_ERR_SERVER_PROBABLY_NOT_UP
The protection server is not responding or the client has timed-out.
61 SP_ERR_UNKNOWN_HOST
The protection server host is unknown or not on the network, or an invalid host name was specified.
62 SP_ERR_SENDTO_FAILED
The client was unable to send a message to the protection server.
63 SP_ERR_SOCKET_CREATION_FAILED
Client was unable to open a network socket. Make sure the TCP/IP or IPX protocol stack is properly installed
on the system.
64 SP_ERR_NO_RESOURCES
Could not locate enough licensing requirements. Insufficient resources (such as
memory) are available to complete the request.
65 SP_ERR_BROADCAST_NOT_SUPPORTED
Broadcast is not supported by the network interface on the system.
66 SP_ERR_BAD_SERVER_MESSAGE
Could not understand the message received from the Sentinel Protection Server. An error occurred in decrypt-
ing (or decoding) the message at the client-end.
67 SP_ERR_NO_SERVER_RUNNING
Cannot communicate to the Sentinel Protection Server. It may not be available for processing the license
request on the specified host. Verify if the protection server is running on the system.
68 SP_ERR_NO_NETWORK
Unable to talk to the specified host. Network communication problems encountered.
69 SP_ERR_NO_SERVER_RESPONSE
There is no Sentinel Protection Server running in the subnet, or the desired key is not available.
70 SP_ERR_NO_LICENSE_AVAILABLE
All licenses are currently in use. The key has no more licenses to issue.
71 SP_ERR_INVALID_LICENSE
License is no longer valid. It probably expired due to time-out.
72 SP_ERR_INVALID_OPERATION
Specified operation cannot be performed. Probably, you tried setting the protection server after obtaining a
license, or tried to call the SFNTsntlGetLicense function on a
packet that already has a license.
73 SP_ERR_BUFFER_TOO_SMALL
The size of the buffer is not sufficient to hold the expected data.
74 SP_ERR_INTERNAL_ERROR
An internal error, such as failure to encrypt or decrypt a message being sent or received, has occurred.
75 SP_ERR_PACKET_ALREADY_INITIALIZED
The API packet was already initialized.
76 SP_ERR_PROTOCOL_NOT_INSTALLED
The specified protocol is not installed.
101 SP_ERR_NO_LEASE_FEATURE
The element does not contain any lease period. Probably, this is not a Full License element.
102 SP_ERR_LEASE_EXPIRED
The date up to which the trial version of the application was valid (expiration date) has reached before the applic-
ation was first run.
103 SP_ERR_COUNTER_LIMIT_REACHED
The value requested for the decrement operation exceeds the current counter value.
104 SP_ERR_NO_DIGITAL_SIGNATURE
The Sentinel Driver binary is not signed by a valid authority.
105 SP_ERR_SYS_FILE_CORRUPTED
The digital certificate of the Sentinel Driver is not valid.
106 SP_ERR_STRING_BUFFER_TOO_LONG
The length of the string must not exceed 50 characters.
VMGSim Fundamentals
VMGSim is based squarely on fundamental thermodynamic principles. These principles allow extraordinary
generality for the formulation of solutions to chemical process simulation problems. These principles are used in
two main features of the process simulator – the thermodynamic calculation engine and the simulation solver.
The thermodynamic engine provides rigorous thermodynamic equilibrium and physical property estimation for
industrially important systems. The simulation solver continually monitors the degrees of freedom of the flow
sheet and immediately invokes the necessary calculations when the degrees of freedom are complete, and the
system of equations describing the flow sheet can be solved.
For example, if the temperature, pressure and bulk composition of a material stream are known, the simulation
solver performs a multiphase flash and the proper number phases at equilibrium as well as compositions,
phase amounts and physical properties are determined. This same approach is used for more complex unit
operations, ranging and heat exchangers to entire distillation towers.
This rigorous implementation of the phase rule and degree of freedom monitoring allows the creation of flexible
specifications for a flow sheet, including the definition of upstream variable values from downstream variable val-
ues.
From a certain point of view, VMGSim is a very sophisticated chemical calculator that uses thermodynamic mod-
els to power its Gibbs free energy calculations (and therefore phase equilibrium) and Gibbs phase rule to
determine available degrees of freedom for different unit operations and the flow sheet. In the following section
we will explore some of these characteristics while working solving an ammonia refrigeration loop.
Reference States in VMGSim

By default the reference states used in VMGSim are:
Enthalpy - Ideal gas enthalpy is assumed to be equal to zero at 0 K and 1 atm

Entropy - Ideal gas entropy is assumed to be equal to zero at 1 K and 1 atm
Standard Gas Volume Flow - Standard Gas Volume Flow is a direct unit conversion from mole flow, based
on the Ideal Gas Law at 1 atm and 60 F
Standard Liquid Volume Flow - Liquid Volume at the Standard Liquid Volume Reference Temperature
(Default 60 F) and 1 atm
VMGSim Solver
Fundamental Concept: Port
You may have used simulators before where the fundamental building block may have been a unit operation or
a material stream. In VMGSim the fundamental building block that has to be mastered is the concept of port.
Every unit operation is composed of at least two ports, one port containing information going into the unit oper-
ation and one port containing information going out the unit operation. In their simplest form, ports are repos-
itories of basic thermodynamic variables such as pressures, temperatures, enthalpies, flows and compositions.
According to Gibbs’s phase rule the thermodynamic state of a system is defined if two intensive variables and
the composition are defined. For example, if you specify the composition, the pressure and the temperature of a
system VMGSim will immediately perform a flash and determine the thermodynamic state of the fluid.
For example, let’s examine a simple cooler. A cooler in VMGSim is represented by a collection of 3 ports, an In
material port, an Out material port and an Energy port. The In and Out material ports carry all information
related to the material flowing through the cooler (including the enthalpy and the heat flows, naturally) and the
Energy port carries the amount of energy per unit of time taken away in order to cool the material stream from
its In state to its Out state.
Ports are also important to propagate information across unit operations. VMGSim will try to use all information
you provide and will propagate this information as appropriate.
Example 1 – Understanding Ports

In your VMG\VMGSimPkg\Documentation\Manual Examples folder you will find a group of VMGSim
Examples. Please open the Flowsheeting Examples\example1.vmp project.
Starting up Start VMGSim by double clicking on the VMGSim icon placed on your desktop.
VMGSim
Opening a After starting up VMGSim please click on the Open VMGSim cases button.
VMGSim project
Selecting a The dialog below will appear. Select the desired VMGSim file and click the Open
VMGSim project button.
After the project is loaded the following form will be in front of you. It represents a simple cooler which has a mix-
ture of methane, ethane, propane and n-butane at 120 F and 200 psia with a mole flow equal to 100 kmol/h.
After deleting the pressure drop and outlet temperature the screen shot should look as below.
Inspecting the figure above you will notice some fundamental features of VMGSim that will be used over and
over again, from the simplest to the most complex unit operation. Let’s examine these fundamental features
one by one.
Material
Note that the Cooler unit operation has two material ports, an In and an Out ports. You will also notice that
some numbers appear over a white background while some numbers appear on a blue background.
Blue background is used to define user specified values.

White background is used to define VMGSim calculated values.
Yellow background is used to define a propagated user specified value.
Red back ground is used to define an estimated value.
These conventions are used consistently throughout all calculations in VMGSim, and you can always find out
the origin of a number by looking at its background color.
You can change the color definitions used for the VMGSim backgrounds using the VMGSim.ini file. For more
information consult the VMGSim Configuration Manual.
Note that the In material port was specified directly in the Cooler
unit operation. You do not need to use streams as in other sim-
ulators.
Main Data
In addition to material ports, VMGSim unit operations also use two other types of ports, Energy and Signal
ports.
The Main data contains the most relevant signal and energy ports.
Energy ports are used to carry energy flows in or out a unit operation. For example, the Cooler unit operation
has an energy port named OutQ. You can see its Basic Property type in the tooltip when the mouse is over the
value column (Power, in this case reported in BTU/hr).
Signal ports are used to make parameters used to define the unit operation available to the user. In this case,
we have a signal named Delta P, that’s used to represent the pressure drop across the cooler.
Advanced
The Advanced frame displays energy ports, signal ports, and parameters, the information displayed in this
frame is not used regularly that’s why the default view is closed. In this case we have just parameters:
Some parameters enable other signal ports; in this case if we select both parameters from the advanced sec-
tion, we will end having two more signal ports in the Main Data frame (Deg Sub Cooling and Deg Super Heat-
ing) and will look like this:
This new signal ports can be specs or calculated data as well.
Concept: Information Propagation

Now that you know what a port is we can explore the concept of information propagation. VMGSim will propag-
ate information as much as possible using the flow sheet configuration you have defined. Using the example
from the item above, look carefully at the In and Out material ports as defined in the cooler COOLER_1.
Note that the In port has a mole flow of 100 kmol/h, and a mass flow of 2221.43 kg/h. Since the cooler has a
single In and a single Out material port and there’s no accumulation of matter in the unit operation, and no chem-
ical reactions happen in the cooler unit operation, the MoleFlow and the MassFlow of the In and Out ports must
be identical. The Out port information was automatically calculated for you.
Now click on the (MoleFlow, In) cell and press the <Delete> key.
You will notice that the since the mole flow is not specified, the mass flow is automatically forgotten.
Note that even though the mole and mass flows are NOT
known, the thermodynamic state of the In port IS known. Click
on the node and inspect the physical prop-
erties of the In port.
Click on the (MassFlow, Out) cell and specify a mass flow of 2000 lb/h as shown below.
Hit the <Enter> key.
Note that the Out port mass flow is now specified (blue background), and the mole flow is automatically cal-
culated at 90.03 lbmol/h. Also, note that the available information is propagated backwards to the In port.
Available information is propagated Forward as

well as Backwards
Let’s now specify the pressure in the Out port to be 190 psia. Look at the Main data frame:
You will notice that the available information from the In and Out ports was used to compute the value of the
pressure drop, and in turn this information was propagated to the Delta P signal port.
Finally, specify the temperature of the Out port to be 60 F.
Note that the thermodynamic state of the Out port is now defined and the flash is automatically performed. With
the In and Out conditions completely defined the energy balance around the cooler can be completed, and the
cooler duty is automatically computed as you can verify by inspecting the Main Data frame.
Naturally, many other combinations of specifications can be used to calculate different solutions for the heat
and material balance equations. For example, delete the mass flow from the Out port. Now, specify the (Value,
OutQ) cell to be 1E5 in the Main Data frame.
Note that the flow is automatically calculated for you in order to close the energy balance around the cooler.
VMGSim allows many different specifications when solving

the energy and material balances that describe a unit oper-
ation.
Note that thermodynamic equilibrium is always honored.
Concept: Degrees of Freedom Monitoring

Starting with the example above, please delete the temperature in the Out port of the cooler, and specify the
flow to be 100 lbmol/h as shown below.
Note that the temperature is immediately calculated by VMGSim. Why? If you look at the specifications to the
problem you will notice that the In port is completely defined, while the OutQ value is also specified. With this
information VMGSim knows that the Energy flow of the Out port has to be the energy flow from the In port less
the energy flow specified in OutQ. Since the pressure in the Out port is also specified, a PH (pressure /
enthalpy) flash can be performed and the temperature of the Out port can be determined.
The following intensive thermodynamic properties can be

specified to define the state of a port in VMGSim:
- Temperature
- Pressure
- Enthalpy
- Entropy
- Vapor Fraction
- Energy Flow
Remember that you only need two intensive variables to
specify the thermodynamic state of a port
For example, let’s imagine that the In port is at its dew point at 200 psia.
Delete the temperature of the In port and specify the vapor fraction to be 1. The dew temperature will be imme-
diately calculated as shown below. Moreover, since the energy flow in the OutQ port is still specified the Out
port temperature can be determined yet again using a PH flash.
Note that in this case the PH flash calculated a temperature that corresponds to a two phase mixture with a
vapor fraction of approximately 0.92. Let’s imagine now what would be the required duty to liquefy the material
fed to the cooled. Start by deleting the OutQ specification and then specify the vapor fraction of Out to be 0.
Note that now a bubble temperature flash is performed on the Out material port and the bubble temperature is
calculated. With this information the energy flow from the Out port can be calculated and therefore the value of
OutQ can be computed by doing an overall energy balance around the cooler. The value of OutQ is shown
below.
Putting it all together

This section explored the basic principles used by VMGSim. These principles are used over and over again,
from the simplest to the most complicated unit operation, from the simplest to the most sophisticated flow sheet.
Get to know them, they are the heart of VMGSim and they will allow you to use VMGSim to efficiently solve vir-
tually any steady state process simulation problem.
l Ports – Material, Energy and Signal.

l Information propagation – partial, forwards and backwards.
l Degrees of freedom monitoring.
Recycles in VMGSim
VMGSim handles recycles in a rather intuitive, but quite different way when compared to other process sim-
ulators. In this section we will simulate an isothermal distillation arrangement and examine how recycles can be
used in detail.
Problem statement
Henley and Seader (1998) present a delightful problem that was formulated by Cavett and extensively used to
test tearing, sequencing and convergence procedures for steady state process simulators. The flowsheet is
equivalent to a 4 stage, near isothermal distillation tower instead of the common near isobaric type. It is desired
to determine the flowrates.
Problem Setup
Start up VMGSim, choose Advanced Peng-Robinson as the property package of choice and add N2, CO2,
H2S, C1, C2, C3, iC4, nC4, iC5, nC5, C6, C7, C8, C9, C10, C12.
Create a material stream called feed and specify it as shown below.
Creating the Tower Feed Stage

In a separation stage we have as feeds the liquid from the stage above and the vapor from the tray below. In a
feed stage we will also have the feed we want to process. Therefore we can model a feed stage as a mixer with
the In ports and a separator.
1. Create a Mixer unit operation
2. Open the Mixer form. You will have the following:
3. Press the Create Port button to add a new port.

4. Connect the material stream Feed to the mixer M1 middle port.
5. Now connect a two phase separator to the Out port of M1 using a material connector
6. Note that for the time being we have no additional information. To proceed we have to estimate the val-
ues that are fed to M1. This is done by adding two new streams to the In ports of M1.
7. Estimate values for S2 and S3 In ports. Since we have nothing better we will estimate the flows as zero
and set an arbitrary composition. Mark the ports as estimated by either specifying ~ before an estimated
value or by checking the "Is Recycle" checkbox of the port. Material streams have the "Is Recycle" check-
box for the In port at the top of the form.
Partial Condenser Setup

The top stage is comprised of a compressor and a condenser. The compressor will raise the pressure to 814.7
psia and the condenser will drop the temperature to 100 F. For the sake of simplicity we will assume that the
adiabatic efficiency of the compressor is 75 % and that the condenser has no pressure drop.
The arrangement is show in the picture below.
Let's now create our first recycle. Attach the stream S2 to the Liq0 Out port of Sep2. Note that VMGSim imme-
diately starts to solve, and converges in 3 iterations. This step is shown below.
Lower Stage
We can now create the lower stage just below Sep1. Recall that it will receive two feeds, one a saturated liquid
from Sep1 and the other will be a saturated vapor from the reboiler. Therefore we will need to set a mixer with
the saturated vapor estimated. As before we will set it to have a zero flow and an arbitrary mole fraction. Note
that this stage operates at 63.7 psia, thus we will have to add a valve between Sep 1 and Sep3.
This is illustrated below.
Note that we can now connect the vapor outlet from Sep3 to the Mixer M1. Just connect the ports using the
stream S3. The entire system converges in 11 iterations.
Partial Reboiler
We can now develop the partial reboiler, which operates at 27.7 psia. Note that we will need another valve
between the liquid outlet from Sep3 and the mixer that will feed the reboiler. This is shown in the figure below.
We are almost done. Now we need to add a compressor to compress the top vapor from Sep4 and finally we
can connect it to the mixer M2. Make sure that the output pressure of CP2 is the same pressure as that of S8.
The final system is shown below. Note that it converges in 11 iterations.
This recycle loop could also have been accomplished by placing the recycles in the mixer instead of the
streams. This would be handled much like the example in the “Flowsheeting” section.
Both versions of this example are saved as Flowsheeting Examples\GuntherRecycleMixer.vmp and Flow-
sheeting Examples\GuntherRecycleStreams.vmp.
Convergence Monitor
Open the main flowsheet form to monitor convergence of all recycles.
For details on this functionality, see the Flowsheet Form section under Flow sheeting with VMGSim.
Recycle Detail (Tab)

Any unit operation with a recycle has a Recycle Detail tab.
This tab contains details on the error and tolerance per property and exposes local recycle (advanced) settings.
Click the "Convergence Manager..." link at the top of the tab to open the flowsheet form and see a summary of
information on all its recycle ports.
Material Recycle
Recycle Error
The absolute error of each property in the recycle port is scaled by a property factor. The maximum scaled error
is the recycle error.
Recycle Tolerance
Maximum recycle error for convergence. Defined according to the "Keep Tolerance" setting.
Keep Tolerance
The tolerance to use for this recycle port.
From Flowsheet
(Default): tolerance is set in the flowsheet (access in the Convergence Manager)
Set Locally
tolerance is set locally
Property with Max Error

Property with the maximum (scaled) error in the recycle. The absolute error of each property in the recycle is
scaled by a property factor. The maximum scaled error is the recycle error.
Abs. Tolerance Per Property

Used to customize tolerance of specific properties in the recycle port.
Property abs. tolerance = (recycle tolerance) x (property scaling factor)
Default
scaling factor are set in Basic Properties for the entire case
Specify
set the abs. tolerance for the property directly. The implicit scaling factor will be calculated based on the recycle
tolerance, and this scaling factor will be maintained if the recycle tolerance changes
Specify Per Cmp.

same as Specify, but abs. tolerance can be set for specific components as well
The label below these settings holds the list of properties that the recycle port is iterating on. These
are all the locally-specified properties.
Below this, the properties table summarizes the recycle status of each property.
Only Estimated or Inconsistent Properties

This checkbox filters which properties are shown. When checked, only properties that the port is iterating on
and properties with consistency errors (where abs. error > abs. tolerance) are shown.
Connected Value [Connected Port Path]

The first column lists the value of the property in the connected port. It is only shown if the recycle port is con-
nected. The path of the port in the column heading acts as a link to the unit operation.
~
Recycle status of the property.
~ the property is estimated and it is being iterated on

!= the property has a consistency error: it is not estimated and its error is above tolerance
The status is also color-coded: a green cell indicates an estimated property that is converged. A red cell indic-
ates a property that is not converged. A blank cell indicates a property that is not estimated and has no con-
sistency errors.
Local Value
The value of the property in the recycle port, either estimated or calculated.
Abs. Error
The difference between the property's connected port value and recycle port (local) value.
Abs. Tolerance
The maximum abs. error for the property to be converged.
Property abs. tolerance = (recycle tolerance) x (property scaling factor)
This default can be modified based on the "Abs. Tolerance Per Property" setting.
Signal Recycles
Signal port recycles show the same information as material recycles but in a different layout since each port
only has one property.
Flow sheeting with VMGSim

VMGSim was built to use the power and flexibility of Sim42’s simulation kernel while providing high level tools to
allow you to build simple and complex flow sheets quickly and efficiently. VMGSim takes care of all com-
munication with the simulation kernel and corresponding form updates. In addition VMGSim provides a com-
prehensive PFD drawing tool using Microsoft Visio and high quality, interactive PFDs can be generated.
Tool Bar Icons

The tool bar located at the top of the VMGSim window provides quick access to key flow sheeting tools.
This section will briefly describe the functionality of each tool bar icon. Refer to the "Gas Dehydration using
TEG" tutorial for some sample applications of these tools.
New: Creates a new VMGSim case
Open: Opens an existing VMGSim case
Save: Saves the working VMGSim case
Simulation Tree: Shows the simulation tree. Use to browse/build the working case
Cascade Forms: Shows all open forms, including the PFD
Visio PFD: Shows the PFD
Send Visio To Back: Hides the Visio PFD behind all open, non-minimized forms
Error Log: Shows the error log
Thermo Model: Shows the property package selection form
Command Line: Shows the CLI. Use to interact with Sim42's simulation kernel directly through supported
commands
Convergence Monitor: Shows the convergence monitor. Use to monitor the errors that were present for
each iteration of the convergence and the final converged values
Economics Summary: Shows the Economics Summary form
Emissions Summary: Shows the Emissions Summary form. Use to find summarized flash emission res-
ults
Stop Current Solve: Stops the solver.
Hold/Restart Solver: Turns the solver on/off. When on, the light will be green. Conversely, when the solver
is turned off, the light will be red
Resolve Case: Resolves the working case
Object Monitor: Shows the alarm monitor. Use to signal when a variable leaves a range of values.
Summary of Specified Values: Shows the specification panel. Use to manage specified values in your
flow sheet
User Manual: Shows the user manual
Undo: Reverses the user's last (undo-supported) action. Not all actions are supported by Undo; hover
over the button to view a description of the last undo-supported action. To view a list of the most recent actions
that can be reversed, click the down arrow.
Redo: Performs the last action that was reversed with Undo. Hover over the button to view a description
of the last reversed action. To view a list of the most recent actions that can be reversed, click the down arrow.
Flowsheet Form
The main flowsheet form provides access to global solver settings.
It can be accessed in a variety of ways:
l in the menu bar, click on View > Main Flowsheet Settings,

l right-click on the Visio PFD and select “Open Form”,
l double-click on a flowsheet in the Simulation Tree
l press the 'Open Flowsheet Form' button in the PFD tool bar:
Convergence Manager (Tab)
Controller and recycle port solvers are managed in this tab.
Flowsheet Recycle Settings

This frame holds solver settings for recycle ports in the flowsheet.
Controller Settings
This frame holds solver settings for controllers in the flowsheet.
Recycle/Controller Convergence Details

This table holds convergence details for controllers and recycle ports in the flowsheet. The status of each item is
updated as the flowsheet solves, which makes this an ideal place to track convergence and identify bottlenecks.
Level
Items are sorted by level, indicating the solution order. Items with greater level values are converged first.
Changing the solution order will affect how fast the recycles and controllers solve when they are interacting with
each other. At times, this can cause the case to resolve quicker but it can also slow it down.
Error
Relative error in each item. For controllers, it is the scaled difference between the SP and the PV values. For
recycle ports, it is the maximum scaled difference between properties of the recycle port and its connected port.
Tolerance
Relative tolerance to converge each item. It can be specified independently for each controller. By default all
recycle ports match the Flowsheet tolerance, but this can be modified using the "Keep Tolerance" setting of the
recycle port.
Keep Tolerance
Indicates if a recycle port tolerance is independent of its flowsheet.
From Flowsheet (default) - the tolerance of the recycle port matches the tolerance of the flowsheet
Set Locally - the tolerance of the recyle port is specified independently of its flowsheet
Property with Max Error

Name (and units) of the property with the maximum scaled error.
Abs. Error
The difference in units of the property with max error between: the SP and PV values of the controller, or the
recycle port and its connected port value.
Abs. Tolerance
Tolerance to converge the item in the units of the property with max error.
Convergence Plot (Tab)

This tab summarizes the status of convergence with a plot and key parameters. It is most useful when viewed to
monitor convergence while the case is solving.
Settings (Tab)
This tab allows changing certain options for the flowsheet, and all nested flowsheets.
Ambient Conditions
Ambient T
This is the outside/ambient temperature that will be used for all heat loss calculations unless it is overridden in a
unit operation
Air Velocity
The air velocity at the plant. It is used for convective heat loss calculations.
Water Velocity
The water velocity outside of equipment. It is normally used for modeling sub-sea pipeline heat loss.
Ambient P
The ambient pressure - used for gauge pressure, and for some HTC correlations.
Reference Conditions
Std Liq Vol Ref T [F]

Reference temperature for standard liquid flow for all unit sets.
Std. Gas Reference P (English) [psia]

Reference pressure for standard gas flow when used in English related units.
Std. Gas Reference T (English) [F]

Reference temperature for standard gas flow when used in English related units.
Std. Gas Reference P (Metric) [psia]

Reference pressure for standard gas flow when used in metric related units.
Std. Gas Reference T (Metric) [F]

Reference temperature for standard gas flow when used in metric related units.
Normal Gas Reference P [psia]

Reference pressure for normal gas flow.
Normal Gas Reference T [F]

Reference temperature for normal gas flow.
OPC Server (Tab)
This tab is used to set up and configure OPC server connections. Refer to the OPC Server section under Pro-
ductivity Tools for more information.
Basic Flow sheeting Example

In this section we will explore the interactive construction of a flow sheet using VMGSim using forms and the
Visio PFD. Note that VMGSim’s flexible architecture allows you to define a simulation in many different ways,
ranging from a script file to a completely graphic interface. We suggest that you explore VMGSim to find out the
style that better suits you. The following is just a suggestion on how to construct a simple flow sheet.
Selecting a Property Package

The most important decision you will make at the beginning of your simulation is the choice of a property pack-
age. Property packages provide the underlining thermodynamic equilibrium and transport property calculation
methods that will be used to determine the state and physical properties of fluids. If you are not familiar with Vir-
tual Materials Group property packages now it is a good time to read the Introduction to Thermodynamics sec-
tion. As you progress you may want to read the Virtual Materials Group Thermodynamics manual. In this
section we will be modeling a hydrocarbon system, and a good default selection for this class of systems is
Advanced_Peng-Robinson (APR).
Consult Virtual Materials Group if you are uncertain as to what property package you should use for a given mix-
ture, or if you need more information about the performance of a property package for a certain mixture or con-
ditions.
We will assume that you have read the Tutorial section and that you know how to select property packages,
components and also that you know the concept of ports.
Start VMGSim and select Advanced_Peng-Robinson property package and add Nitrogen, Carbon Dioxide,
Methane, Ethane, Propane, i-Butane, n-Butane, i-Pentane, n-Pentane, and n-Hexane.
You will also need to add three hypotheticals with properties defined below.
Compound Mol Weight Specific Grav- Normal BP

ity
(g/gmol) ( C )
BP135 120.0 0.757 135

BP260 200.0 0.836 260
BP500 500.0 0.950 500
Note to Input the Specific Gravity you have to introduce the value in LiquidDensity then press space and select
in the drop down (SG(60/60))
You can add components using aliases, for example,

Methane is C1, or using its formula, CH4. You can also
add your own aliases by editing the file alias.txt.
After you finish selecting the desired components and hypotheticals close the property package environment.
While you are in the property package environment the solver will be in Hold mode. You can see this by looking
at the tool bar, the solver button will show the following picture.
After you close the property package environment form note that the solver will not be on hold anymore: .
In this example we will build a three compressor train with intercooling and knock-out separators. Since each
knock-out drum will recycle back to the previous compression stage we will have a model with three recycles.
We will build this simulation using the PFD environment.
Please make sure you have Microsoft Visio 2002 or higher installed on your system. If you do not have Visio
available you will still be able to create this flow sheet, but you will need to connect the unit operations using the
ports In/Out drop down boxes available in the unit operation forms.
For increased performance we recommend Microsoft Visio 2003. or Microsoft Visio 2007.
Click on the PFD button .
Create a material stream unit operation and name it InletGas. Start by selecting a material stream unit oper-
ation as shown below:
Now click on the material stream icon, drag and drop it on the PFD drawing area as shown below.
A material stream with a default name “S1” will be created. The unit operation is shown in yellow since it is not
solved yet.
Double click on S1 to bring up its form and specify it as shown below.
Now the InletGas stream color turns blue on PFD indicating the stream unit operation is solved and is a mixed
two-phase fluid
This material stream is going to be mixed with the condensate from the second compression stage. Let’s add a
mixer and connect InletGas to one of its In ports.
click on InletGas. You will see the connectors light up in green as shown below.
Now drag the head of the InletGas material stream icon (its Out port) to one of the In ports of the mixer. When a
valid connection is available you will see a red square as shown below.
Double click on the Mixer M1 icon.
Note that InletGas is connected with the Mixer In1 In port. Also note that all available information is propagated
from the InletGas Out port into M1’s In1 port.
We are now left with the task of connecting the recycle from the second knock-out tank. You will notice that
VMGSim does NOT have a recycle unit operation. This is because VMGSim automatically keeps track of
recycles and will converge them simultaneously and automatically. In order to create recycles you will have to
provide initial estimates for ports. In this case, let’s estimate the In0 port as shown below.
Estimates are specified using the “~” symbol. If you estimate any composition value all compositions are
assumed to be estimated.
Note that with the estimated values the mixer can solve. Also note that the mixer propagates the smallest pres-
sure from all In ports and a PH flash is performed to determine the conditions of the Out port.
Now drag and drop a two phase separator as shown below.
You have two options on how to connect the mixer M1 to the separator Sep1. You could easily connect them
using a material stream. But in this case we really do not care about the conditions of this stream; we are con-
cerned only with the InletGas and the OutletGas stream that will represent the conditions of the gas after
passing through our compression train.
Thus we will connect these ports using the material connector icon.
Material or Energy connectors just propagate information from an In port to an Out port.
Now let’s create the first compressor and connect that with the vapor coming off Sep1. Specify an outlet pres-
sure of 1150 kPa and an efficiency of 78%.
Now create a cooler C1 and connect that to the Out port of compressor CP1. We will use an outlet temperature
of 60 C for all intercoolers. The pressure drop for all intercoolers will be set to 50 kPa.
The first intercooler conditions are shown below.
We now are left with the task of creating the second and third compression stages. Create Mixer M2 and con-
nect one of its In ports to cooler C1 Out port. Estimate the conditions of M2's remaining In port as we previously
did. Connect the Out port of M2 to a separator, Sep2, and the vapor from Sep2 to a compressor, CP2.
Specify the outlet of compressor CP2 as shown below.
Create a second intercooler with an outlet temperature of 60 C and a 50 kPa pressure drop.
Now let’s create the final compression stage. Specify the outlet of compressor CP3 as shown below.
Finally connect a material stream to Sep4 Vap port and rename it to OutletGas. At this stage your PFD will look
like this:
Now connect the Liq0 port from Sep4 to the In0 port of M3 using a material connector.
Now connect the Liq0 port of Sep3 to the In0 port of mixer M2. Finally connect the Liq0 port of Sep2 to the In0
port of mixer M1. To finish the problem, connect a material stream to Sep1 Liq0 port and call it GasCondensate.
The converged flow sheet is shown above. A convenient summary of inputs and outputs can be obtained by
double clicking on the MaterialStreams main node as shown below.
By using material streams and material connectors you can control the amount of information displayed in the
Stream Summary form. Material connectors can be conveniently used to control the complexity of your flow
sheet by avoiding clutter in your Stream Summary view.
This example is available in your Examples folder and it is named CompressorTrain.vmp.
VMGSim User Interface

VMGSim Visio PFD
VMGSim uses Microsoft Visio as the engine to drive PFD related operations. Visio is a professional drawing
package sold by Microsoft and VMGSim was designed to work with it in a seamless fashion. You can find more
information about Visio at http://www.microsoft.com/office/visio/default.asp.
Menu Bar
Access
Tool Bar
Access
The following section assumes that you have Microsoft Visio installed and activated in your computer.
When you start the PFD in VMGSim you may see the PFD window containing VMGSim’s customization of
Microsoft’s Visio. This window is either inside VMGSim main window as a child form, or outside of VMGSim as
if it is an independent window. The outside PFD window arrangement is shown below.
Create a new VMGSim project, select Natural Gas Processing and add methane, ethane, propane, n-octane
and water. Click on the VisioPFD window.
Fundamental Skills
In this section we discuss basic skills necessary to create VMGSim projects using Visio.
Creating Unit Operations

Locate the Unit Operation Palette. The palette can be located at the left side of the PFD.
Hover your mouse pointer on the palette. A tool tip will appear to help you identify the desired unit operation.
Click on the unit operation you want to create. You do this by positioning the mouse pointer on the desired unit
operation and pressing the left mouse button. A dotted frame will appear surrounding the selected unit oper-
ation as shown below.
Now drag and drop the selected unit operation on the Visio PFD drawing area. You drag and drop unit oper-
ations by clicking on the desired unit operation from the palette. Place the mouse pointer on the desired place
on the PFD drawing area and then release the mouse button.
Note that when a new unit operation is created on the PFD view, the creation of the new unit operation is also
reflected on the Main Flow sheet view as shown below.
Solved unit operations are shown in white.
Or Solid Color if using 3D UnitOps
Unsolved unit operations are shown in yellow
Unsolved material streams are shown in yellow.
Unsolved energy streams are shown in light grey.
Solved material streams are shown in blue (two-

phase), cyan (vapor) or pink (liquid) by default.
Solved energy streams are shown in red.
In material ports are indicated by an In blue arrow

with a cross.
Out material ports are indicated by an Out blue
arrow with a hollow box.
In energy ports are indicated by an In red arrow
with a cross
Out energy ports are indicated by an Out red arrow
with a cross
Accessing a Unit Operation

You have four options to access the contents of any unit operation
Double Click in the PDF Icon
Double Click in the simulation Tree
Select the Icon and press Enter
Right Click and select Open Form…
Deleting a Unit Operation

To delete a unit operation just click on the desired unit operation to select it. A selected unit operation will
appear with a dotted frame with 8 green “grabbers” as shown below.
Right click and you will see the following pop up menu.
Select Cut
You can also delete a unit operation by selecting it and pressing the <Delete> key.
Connecting Unit Operations

Unit operations in VMGSim are connected using material or energy streams. Note that In ports can ONLY be
connected to Out ports. Respectively, Out ports can be connected ONLY to In ports.
Create a new VMGSim case, select Natural Gas Processing and add methane, ethane, propane, n-octane and
water to the system.
Create a new material stream S1 by dragging and dropping a material stream onto the PFD view.
Double click on S1’s icon shown below.
S1’s form will pop up. Specify S1 as shown below.
Inspect the PFD. You will notice that S1 is shown in blue to signal its status as calculated.
Now drag and drop a three phase separator onto the PFD as shown below. Note that the three phase sep-
arator is shown in yellow to warn us that it is not calculated yet.
Now click on the S1 material stream.
Note that a tool tip will appear to inform you what are the material stream pressure, temperature and flow.
The Visio PFD tool tip is shown only when you click on a material or energy stream.
Note that the material stream has two icons at each end of it.
Use this icon to connect to OUT ports (Out con-

nector)
Use this icon to connect to IN ports (In connector)
For example, get the Out connector by clicking on in; drag it to 1’s In port as shown below.
As you approach 1’s In port with S1’s Out port a connector an attachment targeting device (bright red square)
will light up when you are properly positioned to make a connection as shown below.
Note that as soon as you release the Out connector into 1’s In port all of 1’s ports are calculated. Naturally, no
additional calculations were performed. Since the thermodynamic state of S1 was already known, S1 propag-
ated its information to 1’s Out material ports.
Suppose you want to move the label of stream S1. You right click on the PFD open area and select the menu
item “Pointer Tool” as shown below.
Visio PFD now enters a mode for text block editing and formatting. You can also use short cut key Ctrl+Shift+4
to enter this mode.
If you click on stream S1 you can easily move the stream label to wherever you like.
You may also change the text to rename the stream or resize the text block.
When you finish formatting the text block, you should right-click on PFD again to select “Pointer Tool” menu or
use short cut key Ctrl+1 to go back to the shape editing mode, as shown below.
For two-dimensional unit operation icons, there is another easier way to just move labels using the yellow con-
trol handle. As shown below, select the label by clicking on it using the mouse left button. Move the control
handle to the position which you are satisfied with then just drop it by releasing the left mouse button.
Now create three material streams and attach their In ports to 1’s Out ports. Note that every time you attach a
material stream to 1 it shows as calculated.
The three phase separator with all connected material streams is shown below.
Note the streams have different colors indicating different phase status.
Moving Unit Operations

In order to move unit operations you have first to select the desired unit operation. In this case select S4.
When you select a unit operation the In and Out connectors will
light up, as well as two “bending” grabbers (small green dia-
monds).
In this case the Out connector is free, and you can move it up, down, left or right. Click on the Out connector and
hold the left mouse key. Move the Out connector up and to the right and the release the left mouse key.
You can use the bending grabbers to change the shape of material and energy streams. For example, click the
left mouse button when the mouse pointer is on tope of the bending grabber and drag it to the left and then
release. S2 will look like this.
Note that Visio handles material and energy stream crossings. For example, grab the Out connector of S3 and
drag it up and across S2.
You can also move Unit operations by selecting them and pressing the arrow keys in the desired direction, Hold-
ing the Shift key while pressing the arrow key will cause the unit operation to move in smaller increments.
Resizing Unit Operations

Select the desired unit operation. Note the 8 green grabbers.
If you are running Visio 2003 or 2007 you can also see the rotating handle to rotate a shape.
You can use the top or bottom horizontal grabbers to squash or expand the unit operation icon vertically.
You can use the left or right grabbers to squeeze or stretch the unit operation icon horizontally.
Finally, you can use the grabbers at the edges to resize the unit operation icon keeping the current proportions.
Undoing Actions
You can undo actions done on the PFD icons only by pressing <Ctrl><z>. You can NOT undo an action which
may involve VMGSim actions as it may mess up your case. So normally the use of Visio undo functionality is not
encouraged.
Deleting Multiple Unit Operations

You can mark multiple unit operations for deletion by left clicking and holding the left mouse click while dragging
the mouse. A “rubber band” will be generated for you and you can use it to wrap a region of interest. When you
have selected the desired region release the left mouse button.
After you release the left mouse button you will see all the objects inside the rubber band as selected.
Note that in Visio 2003 you can rotate or resize all your selected icons as a group.
Press <Delete>. A message box as below will pop up to ask you to confirm about the deletion.
Click on Yes button and all selected objects will be deleted.
Moving Multiple Objects

Select the desired objects using the same procedure described for selecting multiple objects. Then move the
mouse pointer on top of one of the selected objects, click the left mouse button and hold. Drag the selected
objects to the desired position and then release the left mouse button to drop them into place.
You can also move groups of Unit operations by selecting them and pressing the arrow keys in the desired dir-
ection, Holding the Shift key while pressing the arrow key will cause the unit operation to move in smaller incre-
ments.
Adding and Configuring Text
Text can be added using the Text icon or using the text block tool item on the PFD short cut (right-click)
menu list. Just drag and drop the Text icon anywhere on the PFD. You will see the following icon.
In order to enter text, just double click on the Text icon.
The word “Text” appears highlighted. You can type the text you want directly.
Note that you can resize the text in order to properly format. Just click on the text.
Click on one of the green grabbers and stretch the text area.
In order to format the text, just right click on the Text area. The following pop up menu will appear.
The Cut, Copy and Paste commands allow you to cut copy and paste text.
The Format command is used to format text. Select Format.
Click on Text…
For example, let’s change the size and color of the text. Click on the Size dropdown and choose 18 pt. Click on
the Color dropdown and select red. Finally click OK.
Use the grabbers to stretch the text.
Text can also be rotated and flipped. Right click on the Text icon and select shape. For example, let’s rotate the
text to the left.
Select Rotate Left.
Increasing Page Sizes

As your simulation sizes increase, you will need to increase the size of the PFD drawing area. This is easily
done. Just move your mouse pointer to one of the edges and hold the <Ctrl> key.
The stretch (double headed) arrow will appear. Click the left mouse button and drag the edge to the desired pos-
ition. Release the left mouse button and the PFD will have a new area.
Transforming Unit Operation Icons

The most common transformations done in unit operation icons are resizing, rotating and flipping. Note that
rotating of streams is disallowed as it may accidentally disconnect unit operation connections.
Select the desired unit operation, right click and select Shape…
For example, lets Flip Horizontal. This will rotate the icon 180 degrees around its vertical axis and it is commonly
done when closing recycles where unit operations are being connected from the right hand side of the PFD
towards the left hand side.
Zooming in and Out

Right click on the PFD area and select View as shown below.
Common zoom operations are Whole Page, where the entire PFD is made to fit into a single page. Larger
zoom factors can be selected by increasing the zoom factor. For example, let’s change the zoom to 200%.
You can also zoom in on a selected area of the flow sheet by pressing and holding CTRL + SHIFT. This will
change the cursor into a magnifying tool which can be used to zoom in on the selected area.
To zoom out and view the entire flow sheet press CTRL + W.
Configuring the Unit Operation Palette

By default VMGSim shows the following three Unit Operation palettes. PFD2 contains a whole set of two-
dimensional VMGSim unit operation icons, while PFD and Towers include another set of “3-D” icons.
If you want to change the Icon palette view, click on the PFD icon at the left upper corner of the palette window
. The following menu will appear.
For example, choose Icons and Names.
Drawing Explorer
The Drawing Explorer allows for a specific unit operation or stream to be be selected from a list of all unit oper-
ations and have Viso focus on and place it's shape in the middle of the PFD. To enable the drawing explorer
Right Click anywhere on the PFD and select Drawing Explorer.
This will cause the Drawing Explorer window to appear, the Drawing Explorer window can then be "attached"
to a side of the Viso PFD drawing area as seen below.
To use the Drawing Explorer hover the mouse over the Drawing Explorer and then navigate to the desired unit
operation (located in the appropriate flowsheet of the Foreground Pages directory. The selected unit operation
will immediatly be focused on and moved to the center of the PFD.
Pan & Zoom

The Pan & Zoom feature is a useful feature for navigating PFD's, it provides an easy means to zoom in and out
of the PFD as well as adjust the range of the PFD that is viewed. To enable the Pan & Zoom feature click on the
Viso drawing area so that it has focus (indicated by the appearance of additional Viso based menus in
VMGSim). Navigate the PFDView Menu and select Pan & Zoom.
This will cause the Pan & Zoom window to appear, the Pan & Zoom window can then be "attached" to a side of
the Viso PFD drawing area as seen below.
To use the Pan & Zoom hover the mouse over the Pan & Zoom, this will cause the following window containing
a small drawing of the PFD and a zoom bar to appear.
The PFD can be resized using either the zoom bar or by changing the size of the red box (which represents
what will be seen the the Viso drawing area) as seen below.
The Red box can also be dragged so that a specific area of the PFD can be focused on.
PFD Information Shapes

General
Utility Stencil
Information shapes are used to display general information related the case in the PFD . The fields of the inform-
ation shapes can be linked to variables inside the Case Header section of the reporting system. The information
displayed can also be entered manually by the user.
PFD ID Linked
This shape displays default information from the case. The fields are already linked to variables from the report-
ing system.
Source of Information
File Name
File name reads directly the name of the file.
Company
The information is set under Tools-->Options-->Configuration-->User
Date
The date is read from the system.
Customer, Project, Job No & Prepared by.

These variables belong to Case Header & Global Variables.
Auto-Update
The information displayed in the box is updated at saving and loading of the case.
Manual-Update
There are two methods to force an update of the information. The first one is to right click on the shape and
select Refresh Tables. The second one is to use the PFD menu,
PFD ID Blank
This shape contains blank fields that can be used to manually type information and to link information to vari-
ables from the case.
Enter Information Manually

Click on the field until field is selected.
Type the desired label/information
Link Field to case variable

Click on the field until field is selected. When the field is selected click Ctrl + F9. The field box will appear. Select
Custom Formula . In the custom formula box type "=TheDoc!User." to see the list of the available variables.
Source of Information
The information that is not described under the section PFD ID Linked, lives inside the Case Header and Global
Variables.
PFD Rev Block

This shape is a revision table where fields are designed to be filled manually. However, the fields can be linked
to any of the existing variables.
PFD Borders
General
Utility Stencil
The borders automatically resize with the flowsheet.
PFD Border
This shape automatically resizes with the flowsheet.
PFD Border ID
This shape is a combo of: PFD border, PFD ID Linked, PFD ID Blank and PFD Revision Block.
Import Borders
Borders from Visio files can be imported using the feature Import Border from vsd file
All the shapes located in the first page of the selected file will be grouped into one shape and the shape will be
imported and resized to fit the flowsheet.
Fields of the imported border can be pre-linked in the source file by adding dummy fields to theDoc!user sec-
tion. The fields can also be linked after importing by following the same procedure described to link fields to the
PFD ID Blank shape.
Simulation Tree
VMGSim’s simulation tree allows you to easily view, create, and manage all the unit ops that are in the current
simulation case.
Filters
The Unit Ops can be sorted in many different ways. The Unit Op types can be filtered and organized with their
respective categories.
The "Unit Op Type" drop down selects the Unit Ops presented in the Simulation Tree. The selection is as fol-
lows:
View Description
All In Case Shows all available Unit Ops with their respective Unit Op types in the case
Complete List Shows all available Unit Op Types that can be created in the simulator
Unit Op Type Shows only the specified Unit Op Type in the case
The "Group By Category" checkbox shows the Unit Op types grouped into relavent categories. When this
option is unchecked, the Unit Op types will be displayed alphabetically.
The "Only Unit Ops With Notes" checkbox shows only the Unit Op types that currently contain notes.
Adding, Locating, Cloning, and Removing Unit Ops

The Simulation Tree provides an easy way to manage all of the Unit Ops in a case. To Add a new Unit Op,
simply highlight the desired Unit Op Type and press the button.
From there, the newly created Unit Op's form will open and a new entry will be added to the tree. Opening the
newly added node from the desired Unit Op type will reveal the Unit Ops of that type in the flowsheet.
Highlighting the newly created Unit Op will display a set of action buttons for the Unit Op. From left to right the
buttons are as follows: open, locate on PFD, clone, and delete.
The Open button will open the Unit Op's form. Double clicking on the Unit Op will also open up the Unit Op's
form.
The Locate in PFD button will select and center the desired shape on the Visio PFD.
The Clone button will clone the select Unit Op and open the newly created Unit Op's form
The Delete button will delete the selected Unit Op.
Material Balance Table

General
The material balance table is a summarized view of selected streams in a case. Different properties of the
streams can be displayed side by side for comparison. The below example is taken from ClausSulfurPit.vmp.
Create a Material Balance Table

Right click on the flowsheet
Select Create New Material Balance Table; This will open the following form:
Once the form is open, we can select the streams and it's respective properties that are to be displayed in the
material balance table.
Selecting Streams
To select streams, click on the check boxes beside the desired stream.
The streams can be displayed in various pre-built orders; such as Ascending by name, Descending by name,
and Time of Creation.
The stream order can also be customized further by selecting the stream and pressing the Up and Down but-
tons to move their order.
The All or None button can be used to quickly select all of the streams or none of them.
Selecting Properties
Properties can be added with the following section:
This can be further broken down into four main areas.
Selection Tree
From the selection tree it is possible to navigate through the objects inside the streams and unit operations.
Available Items
This contains a list of the available variables for the object currently selected in the Selection tree.
Selected Items
This contains a list of selected variables. The current display name, display units and display format can be
changed from here. The selection controls can be used to select and sort the variables that are to be added to
the Material Balance Table.
Data Groups
Data Groups can be used to store preferred variables. Refer to the Data Groups section for more information
about Data Groups. The Data Groups used in the Material Balance Table are shared with the Summary Sets
Feature.
Finishing Up
Once all the streams and variables have been selected, simply press the "OK" button and the Material Balance
Table will appear on the flowsheet.
Re-Configuring a Material Balance Table

To change an existing Material Balance Table, right click on the table and select the "Config Table" menu item.
The Material Balance Table configuration form will appear. Please refer to the above sections to configure the
Material Balance Table.
Working with Unit Operations

In this section we will examine all available unit operations in VMGSim.
Common Functionality
All unit operations share a common set of functionality discussed in this section.
Name
Name is a label used to uniquely identify a unit operation. Unit operations have to have unique names. VMGSim
will not allow you to specify unit operations that have repeated names.
Description
Description can be used to provide an informative string for a unit operation. Description is useful when dealing
with large flow sheets where you would like to add short notes to call attention to details in your flow sheet.
Delete
The delete button removes the unit operation from the flow sheet. Note that this action can not be undone.
Create Port
The Create Port adds a port to a unit operation.
Delete Port
The delete port deletes an added port from a unit operation.
Ignored
The ignore toggle tells the solver not to solve a unit operation when checked. The ignore toggle can be con-
veniently used to stop the execution of parts of your flow sheet.
Example - Material Streams

Material Streams are basic unit operations, representing the thermodynamic state of a fluid. Material Streams
are useful when you are interested in performing flash calculations, or when you want connections between
unit operations that behave like streams as you may have gotten used to by using other simulators.
Open MaterialAndEnergyStreams.vmp project and create a new material stream.
With VMGSim you can choose to connect

unit operations using material streams or
perform direct port to port connections.
Name
The Name field is used to define the name of a stream.
You can use ANY symbol for the stream name EXCEPT “.” and “ “. Any time you try to use one of these sym-
bols VMGSim automatically changes the exception to an underscore “_”. The reason for this comes from the
Sim42 command parser used to interpret simulation commands issued by VMGSim.
Description
The description field is used to provide a short description of a material stream. Description fields are useful for
calling attention to important parts of your flow sheet.
Spec From
The Spec From command is useful to copy specifications from one material port into a newly created material
stream.
Click on the Spec source selection button and the object inspector form will pop up as shown below.
Click on the S2 node to access the available material ports that can be used to specify material ports.
Click on the In port node.

By default pressure, temperature, molar flow and compositions (the compositions are not shown, but always
when selecting any property they will be part of the specification) are selected for the specification of stream S1.
Click OK. Or double click in the In Port.
Note that S3 now has the specifications of S2. You can examine the exact specifications used to create S3 in
the Spec From field. In this case, S3 was specified from the In port of S2 using temperature, pressure and
molar flow.
You can also examine in detail the thermodynamic state of the port by clicking on the Equilibrium Results tab.
Specifying the State of a Material Stream

Material streams continuously monitor the degrees of freedom available based on specifications provided by
the user. A material stream is specified if the composition and two intensive variables are specified. Intensive
variables available for specification are temperature, pressure, vapor fraction, molar entropy and molar
enthalpy. As soon as all the degrees available to a material stream are available VMGSim will invoke a flash cal-
culation and all remaining variables and physical properties will be calculated.
As an example, let’s calculate the dew point temperature of an equimolar mixture of methane, ethane, propane,
octane and water at 2000 kPa.
Start by specifying a dew point vapor by setting the vapor fraction to zero.
Now move to the pressure cell and type 2000.
Press the space key.
Note that you now have the option of selecting the proper unit for the pressure. Click on the drop down box and
select kPa.
Note that the pressure is properly converted from 2000 kPa to the simulation defined unit.
The material stream composition now has to be specified. Click on the Fraction.METHANE cell and type 1. The
composition specification form will immediately pop up. You can also get immediate access to the composition
specification form by double clicking on the Molar Composition cell (or pressing Alt+O) or by double clicking on
the Mass Composition cell (or pressing Alt+A).
Before specifying the composition it is convenient to examine the following commands.
Data Type allows the specification of compositions in mole or mass fractions as well as in mole or mass flows
Clear resets all compositions to empty
Normalize normalizes all fraction based compositions forcing that the fractions add to one.
Specify allows the specification of incomplete compositions without normalization. This is useful when spe-
cifying values for controllers.
Auto-Fill completes fraction specifications by calculating the mole or mass fraction of one of the compound to
add up to one. This option is useful when exploring calculations involving binary systems.
OK accepts the specified compositions
Cancel ignores all entered values and returns to the material stream form.
In this example we want an equimolar composition thus just enter 1 for each component cell and click OK.
The thermodynamic state of the stream is specified and the bubble temperature is automatically calculated.
Click on the Properties node (or press Alt+P) and you can inspect the physical properties of this stream.
To finish specifying the material stream the mole or mass or energy flow can be entered. For example, if we spe-
cify a material stream with an energy flow of 10000 W the mass and mole flows are automatically calculated.
Flows can be inspected to the right of the corresponding composition.For example, the component mass flows
are shown below
Other unit operations show a "detailed" grid (with all ports) in the Summary tab. You can opt to see this view in
the material stream by going to the Settings tab and selecting "Always" for Detailed View.
By clicking on the Mass Composition (or pressing Alt+A), Component Mole Flow (Alt+F) or Component Mass
Flow (Alt+W) these different units can be inspected.
Create Port
The Create Port Command allows the creation of additional In, Out or Sensor Ports. Additional In and Out ports
are useful when calculating balances while sensor ports can be used for controllers.
For example, let’s add a SignalPort to monitor Thermal Conductivities.
Note that the material stream now has a Signal Port.
Delete Port
The Delete Port will remove a port created using the Create Port command.
Print
The Print command allows you to print the information related to a unit operation.
Ignored
The Ignored command is used to toggle the material stream for calculations. If Ignored is toggled then the
stream will not solve. By default the Ignored toggle is unchecked.
Energy Streams
Energy Streams are used to specify energy flows without using a unit operation energy port.
See the MaterialAndEnergyStreams.vmp example
VMGSim Options
VMGSim Run-Time configuration provides immediate customization to a simulation project ranging from dis-
play formats to unit conversion sets.
The configuration form can be accessed by clicking Tools / Options…
And the following form will pop up.
Settings you can inspect and modify are shown in a blue background. Settings in white and grey backgrounds
cannot be modified.
Display
Group Setting Description
General
Font Style Font style used within VMGSim
Font Size Font size used within VMGSim
Unit Oper-
ation
Names
Absorber Default Absorber base name
Air Cooler Default Air Cooler base name
Amine Detail Default Amine Detail base name
BalanceOp Default BalanceOp base name
ClausCondenser Default ClausCondenser base name
ClausConverter Default ClausConverter base name
ClausCooler Default ClausCooler base name
ClausDirectFiredReheater Default ClausDirectFiredReheater base
name
ClausHeater Default ClausHeater base name
ClausHydrogenator Default ClausHydrogenator base name
ClausInLineBurner Default ClausInLineBurner base name
ClausMixer Default ClausMixer base name
ClausOxidationConverter Default ClausOxidationConverter base
name
ClausOxygenCalculator Default ClausOxygenCalculator base
name
ClausReactionFurnace Default ClausReactionFurnace base
name
ClausReducingGasGenerator Default ClausReducingGasGenerator
base name
ClausSulfurDetail Default ClausSulfurDetail base name
ClausSulfurPit Default ClausSulfurPit base name
ClausWasteHeatBoiler Default ClausWasteHeatBoiler base
name
ComponentSplitter Default ComponentSplitter base name
Compressor Default Compressor base name
Controller Default Controller base name
ConvReactor Default ConvReactor base name
Cooler Default Cooler base name
CrossConnector Default CrossConnector base name
CSTR Default CSTR base name
DistCurve Default DistCurve base name
DistillationColumn Default DistillationColumn base name
Ejector Default Ejector base name
ElectricMotor Default ElectricMotor base name
Envelope Default Envelope base name
EqmReactor Default EqmReactor base name
Equation Default Equation base name
ExcelUnitOp Default ExcelUnitOp base name
Expander Default Expander base name
Flowsheet Default Flowsheet base name

GasOrificeMeter Default GasOrificeMeter base name
GibbsCurve Default GibbsCurve base name
Heater Default Heater base name
HeatExchanger Default HeatExchanger base name
HoneyCombeDehumidifier Default HoneyCombeDehumidifier base
name
Hydrate Default Hydrate base name
LiqLiqExtractor Default LiqLiqExtractor base name
Mixer Default Mixer base name
MultifeedSep2 Default MultifeedSep2 base name
MultifeedSep3 Default MultifeedSep3 base name
MultiSidedHeatExchanger Default MultiSidedHeatExchanger base
name
OverallBalance Default OverallBalance base name
PFR Default PFR base name
PipeSegment Default PipeSegment base name
PlasmaGasification Default PlasmaGasification base name
PropertyCurve Default PropertyCurve base name
PropertyTable Default PropertyTable base name
Psychrometric Default Psychrometric base name
Pump Default Pump base name
ReboiledAbsorber Default ReboiledAbsorber base name
RefluxedAbsorber Default RefluxedAbsorber base name
ReliefValve Default ReliefValve base name
SaturationOp Default SaturationOp base name
Scheduler Default Scheduler base name
SelectorBlock Default SelectorBlock base name
Separator Default Separator base name
SeparatorLLV Default SeparatorLLV base name
Set Default Set base name
SizingDesignCase Default SizingDesignCase base name
SpecialProp Default SpecialProp base name
Splitter Default Splitter base name
Stream_Energy Default Stream_Energy base name
Stream_Material Default Stream_Material base name
Stream_Signal Default Stream_Signal base name
SubFlowsheet Default SubFlowsheet base name
SurgeController Default SurgeController base name
UtilityHV Default UtilityHV base name
Valve Default Valve base name
WaterDewPoint Default WaterDewPoint base name
XYCurve Default XYCurve base name
Font Set-
tings
Calculated Background Background color for calculated variables

Estimated Background Background color for estimated variables
Fixed Background Background color for fixed variables
Input Background Background color for input variables
Passed Background Background color for passed (propag-
ated) variables
Back Unit Note Tool tip for on the fly unit conversions
Bold Calculated Specified calculated variables are bolded
Bold Estimated Specified estimated variables are bolded
Bold Fixed Specified fixed variables are bolded
Bold Input Specified input variables are bolded
Bold Passed Specified passed (propagated) variables
are bolded
Calculated Foreground Foreground color for calculated variables
Estimated Foreground Foreground color for estimated variables
Fixed Foreground Foreground color for fixed variables
Input Foreground Foreground color for input variables
Passed Foreground Foreground color for passed (propag-
ated) variables
Italic Calculated Specified calculated variables are
italicized
Italic Estimated Specified estimated variables are
italicized
Italic Fixed Specified fixed variables are italicized
Italic Input Specified input variables are italicized
Italic Passed Specified passed (propagated) variables
are italicized
Format Set-
tings
Default Default format used for all variables not
explicitly defined
Pressure Pressure format
Viscosity Dynamic viscosity format
Volumetric Flow Volumetric flow format
Power Power format
Mass Enthalpy Mass enthalpy format
Molar Specific Heat Isobaric heat capacity format
Molar Volume Molar volume format
Temperature Temperature format
Molar Enthalpy Molar Enthalpy format
Thermal Conductivity Thermal conductivity format
Volume Volume format
Mass Flow Mass Flow format
Mole Flow Molar Flow format
Delta T Delta temperature format
Delta P Delta pressure format
Permeability Permeability format

Density Density format
Std Gas Volume Flow Standard gas volume flow format
Tray Diameter Tray diameter format
Weir Length Weir length format
Weir Height Weir length format
Std Liq Mass Density Standard liquid mass density format
Pipe Diameter Pipe diameter format
Pipe Area Pipe area format
Percent Percent format
Control Time Control time format
Head Head format
Volume Enthalpy Volume enthalpy format
Permeance Permeance format
Rotational Speed Rotational speed format
Electric Current Electric current format
Length Length format
Voltage Voltage format
Efficiency Efficiency format
Fraction Fraction format
Mass Fraction Mass fraction format
Molecular Weight Molecular weight format
Std Vol fraction Standard volume fraction format
Vap Frac Vapour fraction format
Z factor Compressibility factor format
Interface
Settings
Faceplate Orientation Default orientation of the faceplates
Faceplate View Default view of the faceplate
Connection Column Visibility Enable the button for connection column
visibility
Bold Frame Title Frame titles are bolded
Frame Title Color Color for the frame titles
Highlight Row Variable Grid Bold the label when mouse hovers over
variables in a grid
Form Memory Forms will "remember" its size, location,
open/closed nodes, etc
Schematic Node Schematic node on a unit operation is
open by default
Show Connection Column Display the connections column on vari-
able grids
Show Notes In Form Enable the notes tab in all forms
Strip Chart
Background Color Background color for strip chart
Font Style Font style used for the strip chart
Font Size Font size used for the strip chart
Plot Area Color Plot area color for strip chart

Plot Border Color Plot border color for strip chart
Plot Grid Color Plot grid color for strip chart
Show Current Variable Name Show the current variable name
Show Current Variable Units Show the current variable units
Show Current Variable Value Show the current variable value
Show Grid Show grid on the strip chart
Show Var Info Show a variables information
Y Axis Color 1 Color of the 1st y-axis
Y Axis Color 2 Color of the 2nd y-axis
Y Axis Color 3 Color of the 3rd y-axis
Y Axis Color 4 Color of the 4th y-axis
Y Axis Outside Of Plot The y-axis will appear outside of the plot
by default
Visio PFD
Auto Load Stencil Load stencils automatically whenever a
PFD is shown
Remake Shaded 3D Icons Force remake of selected 3D shapes
when the check PFD function is used
Datasheet With Frames Enable frames with data sheets
Default Stencil The icon style used when adding a Unit
Op without the use of the Visio icons
PFD Background Color Visio background color
PFD Page Color Visio page color
Dynamic Stream Color By Color of the dynamic streams are depend-
Specification ent on the specified variables
Dynamic Stream Flow Spe- Color of the dynamic streams when flow
cified is specified
Dynamic Stream None Spe- Color of the dynamic streams when noth-
cified ing is specified
Dynamic Stream PF Spe- Color of the dynamic streams when pres-
cified sure and flow are specified
Dynamic Stream Pressure Color of the dynamic streams when pres-
Specified sure is specified
Enable Connector Tool Enable drag and drop connections for con-
nectors and unit op ports
Enable PFD Tool Tip Show unit op information when hover
over it on PFD
Energy Connector Pattern Line pattern for energy connector
Energy Connector Color Line color for energy connector
Energy Line Color Line color for solved energy stream
Energy Line Color Unsolved Line color for unsolved energy stream (dif-
ferent for material stream)
Energy Port Size In Shape Radius in inches of red/blue squares rep-
resenting ports in each shape

Error Warning Line Color Color for error warning line
Icon Text Position Position of the text block in the Unit oper-
ation icon
Label Font Size The size of text or label font for each unit
operation icon in PFD
Load PFD At Startup Show the Visio PFD automatically when
starting up VMGSim
Material Connector Color Line color for material connector
Material Connector Pattern Line pattern for material connectors
Material Line Color Unsolved Line color for unsolved unit operations in
PFD
Material Port Size In Shape Radius in inches of blue triangles rep-
resenting material ports in each shape
PFD Inside Contain Visio within the VMGSim window
PFD Table Font Size The PFD table font size
PFD Table Font Style The PFD table font style
Query Delete Single UO Confirm deletion of each unit operation
when deleting multiple unit operations
Show Grid Shows grids in the PFD window
Show Ruler Show rulers in the PFD window
Show Visio 2002 Support Show Visio 2002 support warnings
Warning
Show Visio Windows List Show Visio windows list
Side Draw Position Absorber The horizontal relative position for newly
created side draws in an absorber icon
Side Draw Position Distillation The horizontal relative position for newly
Column created side draws in an Distil-
lationColumn icon
Side Draw Position Reboiled The horizontal relative position for newly
Absorber created side draws in an ReboiledAb-
sorber icon
Side Draw Position Refluxed The horizontal relative position for newly
Absorber created side draws in an RefluxedAb-
sorber Icon
Signal Connector Color Line color for signal connector
Signal Connector Pattern Line pattern for signal connector
Stencil Supports multi stencils: name1, name2,
name3, etc
Stencil Background Color OLE_COLOR, 0 or missing = Visio
default color
Stream Line Color Liquid Line color for liquid stream
Stream Line Color Two Line color for streams of mixed phase
Phase
Stream Line Color Vapor Line color for vapor stream
Stream Line Neg Flow Enables a different pattern for negative
Enabled flow streams
Stream Line Pattern Neg Line pattern for negative flow streams
Flow
Stream Line Pattern Pattern for unsolved stream lines
Unsolved
Stream Line Zero Flow Stream line zero flow
Stream Offset Position Stream offset position
Text Background Color Also supports RGB function
Text Foreground Color Also supports RGB function
Tooltip Display Contents Default or explicit list (ie T,P,MoleFlow)
UnitOp Color Unsolved Color of an unsolved UnitOp
UnitOp Line Color Line color for solved unit operation
Use Real Dynamic Tower Only used for Visio 2003 ActiveX control
Icon option
Vapor Fraction Pure Liquid Vapor fraction pure liquid tolerance
Tolerance
Vapor Fraction Pure Vapor Vapor fraction pure vapor tolerance
Tolerance
View Specification/Estimation Enable the view specification option in the
right click menu
Zero Moleflow Tolerance Float value tolerance setting below which
the mole flow of a material stream is con-
sidered to be zero
Grid Set-
tings
Primay Properties Number of key physical properties in the
material grid
Save prompt A save prompt will appear upon closing of
the composition form and the main pro-
gram
View Cell Units Enable tool tips for on the fly unit con-
version
Property
List
Items that will appear in the property lists
Configuration
General
Cascade Forms After Recall Opened forms will be cascaded when a case
is recalled
Case Regression Enable case regression
Display Excel Alerts Enable alerts from Excel
Excel Save Format The format that Excel will save in
Grid Walk The next focused cell after changes are
made in the grid
Hold Solver In Basis When the basis form is opened, the simulator
is put on hold
Psf Pressure Points Number of pressure points for each stream in
the psf file
Recall Form Count Maximum number of forms to re-open during
recall. These forms are those that were left
open while the case is stored
Show Build In Caption Show the build number in the caption of the
main form
Solve After Recall Re-solve the flowsheet upon recall
Startup Tower Form Start up the stream form in detailed or com-
pact mode
User
Address The address key is used to identify the
address of VMGSim's license
Base Path The base path of VMGSim
Industry Industry used when creating the property
package view
Logo The logo key is used to define the logo to be
used to identify VMGSim's licensor
Name The name key is used to identify the name of
VMGSim's licensor
Visio
PFD
Visio Version The version of Visio being used
Offset Stream Label Offset the label from the stream icon in the
PFD
Visio Save Format The format Visio will save in
Start Up
Preselect Thermo Preselect the default property package on
new cases
Recycle Details Convergence monitor detail level
Show Thermo Automatically show the thermo model form in
new cases on start up
Standard Liquid Reference Default = 60 F, accepted units are K, R C, F
Temperature
Path
VMGSim.EXE
SeaPkg.dll
VMG.vmgsimdll
vmgsimcom.dll
Sim42.Engine
Sim42.Units
VMGSpreadsheetOp.dll
VMGACXAirCooler.dll
VMGSTXHeatExchanger.dll
VMGHTRIHeatExchanger.dll
Visio
Reporting
Excel Export
Column Header Border Width The width of column header bor-
der
Column Header Font Bold Bold the column header
Column Header Font Italic Italicize the column header
Column Header Font Size The column header font size
Column Header Font Style Font style of column headers
Column Header Horizontal The width of column header
Lines Width
Column Header Vertical Lines The width of column header
Width
Data Border Width The width of data border
Data Font Bold Bold the data
Data Font Italic Italicize the data
Data Font Size The data font size
Data Font Style Font style of data
Data Horizontal Lines Width The width of data horizontal lines
Data Use Defaults Font Overwrites font italic and font bold
Data Vertical Lines Width The width of data vertical lines
Export Mode Select a method to display the
summary sets
Include Borders On Export The Excel border format is expor-
ted
Include Formats On Exports The form font styles and colors are
exported
Row Label Border Width The width of row label border
Row Label Font Bold Bold the row label
Row Label Font Italic Italicize the row label
Row Label Font Size The row label font size
Row Label Font Style Font style of row labels
Row Label Horizontal Lines The width of row label horizontal
Width
Row Label Vertical Lines Width The width of row label vertical
Word Export
Page Break Between Sum- Have each summary set on a dif-
maries ferent page
Page Break When Tables Do Place tables that are too large on
Not Fit a new page
User Template Path Location of the template file
Print Settings
Printer Paper Orientation The printing orientation of the cre-
ated form
Material Port Print Options Material ports printing options

Print Font Size Font size when the print option is
used
Print Reporting
Maximize Use of Space Auto size columns
Print Black and White Friendly Sets colors for printing in black
and white
Advanced
Logs
Immediate Update Write log as soon as message is
received
Show Log On Error Shows log when there are errors
Sim 42 Log File Name Name of file used to log Sim42
commands
Dynamics
Do Events Frequency Frequency of forced event
flushes in milliseconds while solv-
ing
Dynamics Enabled Enable the dynamics engine
Refresh Frequency Number of integration steps
between each refresh
Refresh Frequency [ms] Milliseconds between refreshing
forms
Refresh Frequency Maximum Maximum amount of time
[ms] between refreshing forms in mil-
liseconds
ACX/STX Settings
Default ACX Configuration Default name of the ".aci" file
File ENG that is opened when an ACX link
is created using the "ENGLISH"
unit set
File METRIC that is opened when an ACX link
is created using the "METRIC"
unit set
File SI that is opened when an ACX link
is created using the "SI" unit set
Default STX Configuration Default name of the ".sti" file that
File ENG is opened when a STX link is cre-
ated using the "ENGLISH" unit
set
Default STX Configuration Default name of the ".sti" file that
File SI is opened when a STX link is cre-
ated using the "SI" unit set

Override ACX Netowrk Override the license check that is
License Check completed when attempting a
live link to the ACX software
Override STX Network Override the license check that is
License Check completed when attempting a
live link to the STX software
Backup
Save Case Backups Number of backups for saved
cases, use 0 for no backups
Unit
Default Unit Set The default active unit set
Unit Sets
VMGSim’s unit conversion system allows you to create new unit of measurement groups according to your pref-
erences. The Unit Conversion system can be accessed by clicking Tools -> Unit Sets…
The following form will pop up.
Note: all changes will apply after clicking the OK button in this form.
Filters and views

The Unit Sets can be sorted in many different ways. The views of all the variables and it's respective units can
all be filtered and changed to help concentrate on specific areas.
The "Main & Grouped" drop down selects the view style of the Unit Sets. The selection is as follows:
View Description
Main Shows variables in categorized nodes including the most common variables in the "Main"
& Grouped group.
Flat Shows all the variables in alphabetical order, ungrouped.
Grouped Shows variables in categorized nodes
The "All Groups" drop down selects the groups to be shown. The groups are categorized as follows:
Groups Variables
Area Area, Area 2, kArea, Pipe Area, Tray Area
Concentration Fraction, Molar Concentration, Trace Fraction, Trace Vol Fraction
Density Density, StdLiq Mass Density
Energy Energy
Enthalpy Mass Enthalpy, Molar Enthalpy, StdGas Vol H, Volume Enthalpy
Flow Liquid Volume Flow, Mass Flow, Mole Flow, Std Gas Volume Flow, Vapor Volume Flow,
Volumetric Flow
Flux Diffusion Coeff, HeatFlux, Mass Flux
Gas to Liq Ratio GOR, StdGas Vol/StdLiq Vol
Heat Heat Transfer Coeff, Heat Transfer Coeff 2, Heat Transfer Resist, UA
Transfer Coeff
Length Head, Length, Minor Length, Pipe Diameter, Tray Diameter, Weir Height, Weir Length
Mass Mass
Molar Mass Mass/Mole, StdGas Vol Mass, StdGas Vol Trace Mass
Percent Efficiency, Percent
Pressure Delta P, DeltaP per Length, Guage Pressure, Pressure, Pressure Drop(100), Pres-
sure/Molar Volume
Specific Heat Mass Specific Heat, Molar Specific Heat
Speed Gas Velocity, Linear Rate, Reaction Rate Cat, Reaction Rate Vol, Rotational Speed,
Superficial Velocity, Velocity
Surface Tension Surface Tension
Temperature Delta T, Temperature
Thermal Con- Thermal Conductivity
ductivity
Time Ctrl Time, Integ Time, Residence Time, Time
Viscosity Kinematic Viscosity, Viscosity
Volume Molar Volume, Thermal Expansion, Volume
Other 1/Length, 1/Time, Angle, Area Per Volume, Currency, Dipole Moment, Electric Current,
Energy Cost, Force, Gas Constant, Humidity, Inertia, IsoThermal Compressibility, Joule
Thomson, Mol/Mol, Moles, Per Area, Permeability, Permeance, Piping Cost, Power,
RHOV2, RHOV3, Solubility Parameter, Torque, Valves/Active Area, Voltage, Weir
Loading, Work
The "All Types" drop down selects the types of variables to be shown. The types are categorized as follows:
Type Variables
Equipment Vari- 1/Length, 1/Time, Angle, Area, Area 2, Area Per Volume, Ctrl Time, Delta P, Delta T,
able DeltaP per Length, Efficiency, Electric Current, Guage Pressure, Head, Heat Transfer
Coeff, Heat Transfer Coeff 2, Heat Transfer Resist, HeatFlux, kArea, Length, Mass Flux,
Minor Length, Per Area, Pipe Area, Pipe Diameter, Piping Cost, Power, Pressure Drop
(100), Residence Time, Rotational Speed, Torque, Tray Area, Tray Diameter, UA,
Valves/Active Area, Voltage, Volume, Weir Height, Weir Length, Weir Loading, Work
Process Property Energy Cost, Force, Fraction, Gas Velocity, GOR, Humidity, Inertia, Integ Time, Linear
Rate, Liquid Volume Flow, Mass, Mass Flow, Mass/Mole, Molar Concentration, Mole Flow,
Moles, Pressure, Reaction Rate Cat, Reaction Rate Vol, Std Gas Volume Flow, StdGas
Vol Mass, StdGas Vol Trace Mass, StdGas Vol/StdLiq Vol, Temperature, Trace Fraction,
Trace Vol Fraction, Vapor Volume Flow, Velocity, Volumetric Flow
Transport Prop- Density, Diffusion Coeff, Dipole Moment, Energy, Gas Constant,
erty IsoThermal Compressibility, Joule Thomson, Kinematic Viscosity, Mass Enthalpy, Mass
Specific Heat, Mol/Mol, Molar Enthalpy, Molar Specific Heat, Molar Volume, Permeability,
Permeance, Pressure/MolarVolume, Solubility Parameter, StdGas Vol H, StdLiq Mass
Denisty, Superficial Velocity, Surface Tension, Thermal Conductivity, Thermal
Expansion, Viscosity, Volume Enthalpy
Other Currency, Percent, RHOV2, RHOV3, Time
Visibility of specific Unit Sets can be toggled on the left side via the checkboxes. Checked will have the Unit Set
shown, while un checking will have the Unit Set hidden away from the form. Visibility can be used to help quickly
find specific Unit Sets and to help keep the view of Unit Sets organized.
Adding and Removing Unit Sets

In order to create a new unit set, click the button and the following form will appear:
The new Unit Set will be created with defaults from an existing Unit Set. Select the desired Unit Set to be
"cloned", and name the new Unit Set. In this example, we will name the new Unit Set as "custom1". After this is
done, press the button and the new Unit Set will be created.
Select the desired units on each of the variables to customize the new Unit Set.
To Delete a Unit Set click the Delete Unit Set button.
The following form will pop up. Select the Unit Set that wants to be deleted and click OK.
Observe that only the modifiable unit sets will appear in the pull down. The modifiable units set are the ones in
blue. Only the custom unit sets can be modified when they are not the Active Unit Set.
Any modifiable unit set can be customized at any time. Similar to creating a new Unit Set, select the desired unit
for the variable by clicking on the unit and changing it from the drop down that appears.
To save changes, click OK. The following dialog will appear.
Click Yes.
Note that every time we add a new unit set, the Active Unit Set Drop down changes to the last unit set added,
After the OK button is clicked, if the Unit Set in the Active Unit Set drop down, is different from the Active Unit
Set that we had before opening the Unit Set window, we will be prompted if we want to change the Active Unit
Set.
Importing and Exporting Unit Sets3

Unit Sets can also be imported and exported. To export, press the and the following form will
appear:
Select the Unit Set to export from the drop down and press OK. A save dialog will appear asking where the file
should be saved. Save the file and the export will be completed.
To import a Unit Set, press the
Change Active Unit Set:

If we just want to change the Active Unit Set to another existing one, we have two options:
Change it in the drop down menu in the up right corner of the main window.
Open the Unit Set window (Tools / Unit Sets…) and select from the Active Unit Set drop down.
In both Cases the following dialog will appear:
Change Default Unit Set:

To select the Factory unit set as the default unit set for your project as shown in the following actions.
Now inspect a material stream. Note the new unit for Temperature.
Customizing Tool Tip Units

Each variable in the simulator has a tool tip when hovered over in a Unit Operation. The tool tips show the value
of the variable in different units; they can be customized with the following:
Select the desired variable to be customized, and click the "Config..." button on the top right of the Unit Sets
form. The following will appear:
Select the desired units to be shown in the tool tip and press "OK". If at anytime the default units are desired,
press the "Reset" button to have the tool tips for the selected variable run off default settings again.
Reporting
Reporting System
General
The fully integrated reporting system in VMGSim makes easy to extract the most relevant information from the
simulation and incorporate it into professional quality reports. There are many ways to extract the information
from the simulation, some are predefined reports are ready to be used, and other tools assist the user getting a
customized report.
Report Options
The main report tools are concentrated in the reporting menu
The Report export is available from the File menu; every unit operation has a Print button, to get the report of
the specific unit operation.
Project Report
Project Report is the best way to obtain a comprehensible detail report of your simulation. Generates high qual-
ity and easy to navigate reports in Excel or Word.
It’s fully customizable; it can report one stream or the whole simulation in one shot.
Summary Sets
Summary sets make it easy to display the most relevant information of a collection of objects such as unit oper-
ations, streams, controllers, or information unit operations in a tabular format.
The summary sets are a live report; values changed on the summary form go in to the simulation. At any
moment the summary sets can be printed or exported.
The user can select and customize the variables to be displayed, can specify the display name, display units,
and display numeric format.
Equipment Data Sheets

Predefined API style reports can be used to visualize the process information in a predefined report inside the
unit operations form . Data Sheets can be exported to Excel individually from the forms, or can be used as a
defined output inside project report.
Material Stream Summary

It’s a predefined report just for material streams, as the summary sets; it is a live report and can be printed or
exported at any time.
This feature can be accessed from the Reporting menu or by clicking on Material Streams in the simulation tree.
Energy Stream Summary

It’s a predefined report just for energy streams, as the summary sets; it is a live report and can be printed or
exported at any time.
The user can select the material streams to be displayed, and can customize the properties to be displayed.
This feature can be accessed from the Reporting menu or by clicking on Energy Streams in the simulation tree
Report Export
The report export it’s a fast way to get the information from the simulation, it can be exported to excel or to an
easy to navigate html report.
This feature can be accessed from the File Menu.
Global Report Customization

The global case information, used in headers and footers. Can be accessed from Reporting -> Report Header
The users can generate their own Word template and get the Word reports on it.
The settings that affect the table’s styles that are generated as a summary of objects (Summary Sets, Material
Stream Summary, Energy Stream Summary, and the reports generated by the Project Report utility when the
option “As Summary” is selected) can be modified from Reporting -> Reporting Settings.
Store User Reports

The Project Report feature has the capability to save the configuration at any point as a template and recover
the setting from it.
Data Groups
The data groups are a set of variables with their customization (display names, display units, display number
format), the data groups are saved in the user’s computer, and can be used later in any case; they can also be
set as default.
The data groups are context dependant and they belong to the specific object type (i.e. Heaters data groups are
not shared with separators).
Project Report
General
This tool makes easy the generation of detailed and easy to read reports of all the streams and unit operations
in the simulation. The information and the objects to be displayed per each unit operation type can be cus-
tomized.
Open Project Report.

Navigate to the Reporting menu and select Project Report
By Default all the streams and unit operations of the Main Flowsheet will be selected
Configuring Global Settings

The global setting of the report can be customized from the Configuration tab
Reference Flowsheet
Is the flowsheet that it’s going to be used as base in the report, when the reference flowsheet changes all the
unit operation types will set this flowsheet as reference flowsheet, and then each unit operation type could be
customized to have different reference flowsheet.
Include Sub Flowsheets

Specifies if the report will include the children flowsheets contained within the reference flowsheet.
Show PFD
When active the PFD will be exported as picture to Excel.
Include Printing Settings in Excel

When active, formats the report to be ready to be printed, adds headers and footers, and places the page
breaks where needed. It slows down considerably the speed of the report. Is recommended to be used only
when is indented to be printed.
Include Thermodynamic model

When active the thermodynamics objects will be included in the report.
Material Properties
The properties selected here will be displayed in all the unit operations when the Material Data Block is
enabled, and also will be displayed in the Equilibrium Results data blocks.
Material Component
The material component properties selected here will be displayed in all the unit operations when the Material
Data Block is enabled, and also will be displayed in the Equilibrium Results data blocks.
Select Streams and unit operations to be reported

By clicking on the check box left to the unit op type, it toggles if the unit operation type will be included or not in
the report.
Once a stream or unit operation type is selected in the tree, the selection of specific streams or unit operations
can be done in the unit operation selection tab.
Select Data Blocks to be included in the report.

The information of each stream or unit operation is divided into Data Blocks.
The Data Blocks to be reported by unit operation type can be customized in the Data Blocks Selection tab.
“As Summary” Option

A unit operation type can be reported “As Summary”, this means that instead of getting the detail report per unit
operation, a summary in a tabular format containing the selected unit operations of the unit operation type will
be displayed. This report will look like the “Summary Sets” reports. To toggle this option click on the check box
in the “As Summary” column. Now instead of the Data Groups tab, a Variables selection tab will appear where
the variables to be reported can be selected
This option shares the Data Groups with the Summary sets
“As Data Sheet” Option

A unit operation type can be reported as data sheets, this means that the unit operation will be exported using a
predefined equipment data sheet. This report will look like the “Summary Sets” reports. To toggle this option
click on the check box in the “As Data Sheet” column. Now instead of the Data Groups tab, a Data Sheets selec-
tion tab will appear where the variables to be reported can be selected.
Go to the Data Sheets section to find more information about how to use the data sheets and how to customize
them.
Export Report
Just click on the report buttons to get the report either in Excel or Word.
The Excel report will include a index section to make it easy to navigate trough the report.
Saving and recalling from template

The actual configuration of the report can be saved as a template. This template will save the global settings
except the reference flowsheet. The information saved is: 1) if a specific unit operation type is included or not, 2)
if the unit operation type is going to be reported as summary, 3)the data blocks selected and 4) the variables
selected for the As Summary option.
Summary Set
General
The summary set is a place holder for summaries. Each summary set can hold up to ten summaries and each
project can have as many summary sets as desired.
Create a Summary Set

Navigate to the Reporting menu
Then select Summary Sets; this will cause the following form to appear.
When the Summary Sets Manager is empty, only the <Add> button is activated, click on it and a new summary
set will be created with one summary. The first form to appear corresponds to the Streams/Unit Operations
selection of the first summary (refer to the Configure Summaries section for a description of the Streams/Unit
Operations selection form).
After the unit operations are selected the summary will load the variables stored in the default data group of the
selected stream/unit operation type (refer to the Data Groups Section for a description of how the Data Groups
work).
Summary Set View
Open a Summary Set

Select the summary set from the Summary Sets Manager and click on the <Open> button.
Remove a Summary Set

Select the summary set from the Summary Sets Manager and click on the <Remove> button.
Working with a Summary Set

The Summary Set option is divided into two main sections,
The left section contains the name of the summary set and the Summaries frame which contains all the avail-
able summaries, the active Summary is always highlighted.
Add Summary
Click this button to add a summary. The form Streams/Unit Operations selection will be opened (refer to the
summary section for a description of the Streams/Unit Operations selection form). Once a Summary Set is cre-
ated, more Summaries can be added by clicking on the “Add Summary” button.
The maximum number of summaries per summary set is ten.
Remove Summary
Click this button to remove the active summary.
Print All
Click this button to print a report containing all summaries.
Show/Hide button
Click this button to maximize the space of the Summary section.
Configure Summaries
The configuration of a summary item is divided into three parts: Streams/Unit Operations, Variables and view-
ing options.
Select Streams/Unit Ops

To select the objects that are to be visible in a summary, click on “Select Streams/Unit Ops”, this action will bring
up the Streams/Unit Operations Selection form.
In this form the object type can be selected using the pull down menu, Unit Op Type. If the option Include All is
checked, all the available items will be automatically added to the selected items list every time the Unit Op Type
is changed.
The selection controls can be used to select and sort the Objects that will be visible in the summary.
If there is more than one flowsheet in a project two additional controls are available: the Reference Flowsheet
drop down menu and the Include Sub Flowsheets check box.
Once the Unit Operation Type is selected, the Reference Flowsheet and the Include Sub Flowsheets options
can be changed from the configuration frame inside the Summary frame.
Select Variables
To select variables displayed in a Summary item, click on the Select Variables button, this action will bring up
the Variables Selection form.
The form is divided into four main sections.
Selection Tree
From the selection tree it is possible to navigate through the objects inside the streams and unit operations.
Available Items
This contains a list of the available variables for the object currently selected in the Selection tree.
Selected Items
This contains a list of selected variables. The current display name, display units and display format can be
changed from here.
With the selection controls can be used to select and sort the variables that are to be added to the Summary.
Data Groups
Data Groups can be used to store preferred variables. Refer to the Data Groups section for more information
about Data Groups.
The Data Groups used in the summary sets are shared with the Project Report Feature.
Configure View
Check the Transposed checkbox in the configuration frame to transpose the current table.
Check the Use Short Labels checkbox in the configuration frame to view the path of the unit operations and the
relative path of the current variables (i.e. the user will see “In.T” when the box is checked instead of “T” when it
is not checked).
Report Tools
There are four options to report the current summary.
Copy to Clipboard
Copies the current information to a Windows clipboard.
Export to Word
The option opens Microsoft Word and creates a table using the settings (font styles and table borders) available
in the Report Setting menu.
Note: To change the header information, go to ReportingàReport Header.
Export to Excel
This option opens Excel and creates a table using the settings (font styles and table borders) available in the
Report Setting menu.
Print
This option sends the information directly to VMGSim’s print output. Use the Print All button in the summaries
frame to print all summaries.
Equipment Data Sheets

General
Equipment Data Sheets can be used to visualize and interact with process information from the report tab
inside unit operation forms. The report can be exported to Excel. In addition, the equipment data sheets are
incorporated as an output option inside project report.
Some unit operation types come with default data sheets. It is also possible to incorporate user defined data
sheets.
Report Tab
The report tab is available for unit operations that have defined reports. For unit operations that don't have
default reports, there is an option to let the user import their own data sheets, this will automatically enable the
Report tab for those unit operations.
The cells in the report follow the general color coding, for specified, passed and calculated values. Furthermore,
the user can type any information in the blank cells, the information typed in those cells, will be stored with the
specific unit operation.
Export to Excel
Exports the report the report, includes the printing settings to configure the page breaks. To include the printing
headers enable the option "Include Page header for Data Sheets" inside Options-->Reporting-->Excel Export
Reports Manager
Open the report manager of the current unit operation type.
Reports Manager
The Reports Manager helps the user to organize the available reports and also allows the import of user
defined reports.
The reports manager can be accessed from the Report Tab or trough the Reporting menu.
Import
Adds a report to the selected unit operation type. Press the import button to open a dialog box to select the xml
file with the report definition.
Remove Selection
Removes the selected reports from the available reports drop down list inside the report tabs.
Default Report
Defines the default report that will be shown for new unit operations of the same type.
Restore Defaults
Removes the user defined reports, and resets the predefined reports.
Creating Equipment Data Sheets

Users can create and import their own reports. The layout and the information to be displayed in the reports is
defined in a xml file. The xml files can be generated using the Excel Data Sheets Generator that is located
inside the installation folder in "\Tools\Data Sheets Generator\".
Within this worksheet there are two regions of interest. The first region contains the datasheet format inform-
ation, which is found to the right hand side of the worksheet. The second region is where the datasheet layout
and linking to VMGSim flowsheet variables is defined.
Custom Datasheet Format Information

In this region the following information should be entered in the appropriate cells:
Cell AC5 – reportID = this should be the name of the datasheet as shown in the VMGSim “Report” tab within
the unit operation. The format of the naming follows:
“Datasheet name” + “_” + “Unit type” + "_" + “Page” + “Page number”
e.g. API661_US_Page1
Cell AC6 – unitOpType = the unit operation the datasheet belongs to is given here.
Cell AC7 – reportTitle = the title of the current report page.
Cell AC8 – autoWidthSize = this cell should be given a value of “TRUE” or “FALSE”. If this cell is set to “TRUE”
the actual cell widths in the ExcelTM worksheet are ignored and they are scaled to fit the text provided to the
datasheet while in VMGSim. If this cell is set to “FALSE” the cell widths in the ExcelTM worksheet are used.
The total summation of cell widths should always be kept as in the example template for the automatic report
printing setup to work properly for datasheets generated. The number of columns used within the datasheet
can be altered, but the total width is the constant factor.
Cell AC9 – startCountRow = the ExcelTM worksheet row where datasheet number counting starts in the
reports along the left hand side is entered here.
Cell AC15 = any extra pages linked to the first page of the datasheet should be entered here. In the example
datasheet for the air cooler there is one extra page connected. ExcelTM worksheets for pages other than the
1st page do not need anything entered here.
Cells AF4 - AK4 = information for images that are used in the datasheet report once exported into ExcelTM
from VMGSim is entered here. The default company logo image used in many built-in datasheets can be found
at “...\VMG\VMGSimPkg\Schematic\reports\CompanyLogo.bmp”.
An example of the entries used for the company logo in some of the datasheet reports is shown below where
the starting column and row is referenced starting at zero:
Any additional images can be listed directly below the first image and there is no limit to the number of images
included in a datasheet.
“Export to XML” Button = After the datasheet has been completed the area of the datasheet layout to the left
side of the ExcelTM worksheet should be selected and this button pressed. At that point the datasheet inform-
ation can be saved as an xml file for use in VMGSim.
Custom Datasheet Layout & Linking

Some of the relevant values within datasheets are tied into unit operations themselves. Others are just text that
describe the information and do not change when VMGSim simulations change. For any values such as the lat-
ter that are regular text they can be written directly in merged, or unmerged cells, within the ExcelTM work-
sheet. Characters that have to be avoided within this regular text includes *, &, and non-regular symbols such
as ° (degree symbol). If these symbols are required the xml standard for those characters can be used. Some
examples of xml standard characters possible are listed below.
&quot = “ &
amp = & &apos = ‘ &
lt = < &rt = >
For values meant to be taken live from the VMGSim flowsheet, those cell’s entries should follow the standard
format:
“*” + “VMGSim variable path” + “@ByVal@” + “Unit name”
e.g. *Nozzle_Out.Diameter@ByVal@in (value in inches)
*Nozzle_Out.Diameter@ByVal@mm (value in millimetres)
*Nozzle_Out.Diameter@ByVal (value in current VMG units)
In the last example path given above the unit type definition is left out altogether. This will result in the variable
value being returned in units currently being used by VMGSim’s case. To display the current units for this vari-
able in another datasheet cell the path can be suffixed with “@ByUnits” instead of “@ByVal”.
e.g. *Nozzle_Out.Diameter@ByUnits
To find a list of available unit types for each variable in VMGSim the “Tools -> Unit Sets...” drop down menu can
be selected. A temporarily new unit set can be created to see which units are available for a certain variable. To
do this, double click on the <New> column and enter the name of the desired unit set and press Enter. If we
double click on any variable cell in the newly created unit set, we will see a list of all available units to this par-
ticular variable. Upper and lower case lettering in the unit type naming for the datasheet will need to be followed
exactly for proper results.
In order to determine the path of any variable in VMGSim its value can be changed in the flowsheet and an
internal logger can be opened through the “View -> Command Log” drop down menu. The last line logged will
contain the path of the altered variable. The unit operation’s name from this can be removed and replaced with
“*” as shown starting the above example paths.
For any global flowsheet variables the flowsheet or the report manager should be used in the path after the “*”
symbol such that it doesn’t try to reference the unit operation for the value.
e.g. */ReportManager.Manufacturer@ByVal
e.g. */AmbTemp@ByVal@F
If a property value for a specific phase in material is required in the datasheet the material can be broken further
by adding to its path. The path additions would be “.Fluid.LiqBulk.” or “.Fluid.Vap.”.
e.g. *In.Fluid.LiqBulk.ThermalConductivity@ByVal@Btu/hr-ft-F
A connected path option is also available if information from a unit operation that is connected to the datasheet
operation is required. An example of this type of pathway would be:
e.g. *In#ConnOP#Description@ByVal
Where the “#ConnOP#” addition points to the path of the unit operation connected to the “In” port (can be any
port connection name specified here) and then retrieves that unit operation’s variable defined in the following
path, which is “Description@ByVal” in the example above.
One last method for determining variable paths in VMGSim is to unlock the “Enable Copy Path” feature, which
can be achieved through the “Tools -> Options” drop down menu as shown below. At this point any variable
within a grid can be copied as text using the right click menu.
Tower Special Objects

To access TRAY profile only and ignore the condenser and reboiler stages use the special pattern: "Property_
Prof.Tray_Number" this pattern will return the property of the first stage that is not a condenser. For example
"T_Prof.Tray_1" returns the temperature of stage 1 if a condenser does not exist and the temperature of stage
2 is a condenser is there.
To avoid the dependency on stage numbers the following objects can be used OverheadFeed, BottomFeed,
OverheadV, BottomL. In addition the following path can be used to find side material ports "Rep_SideDraw_
Number" and "Rep_SideFeed_Number". These paths will never return material ports from the first and last
stages, the path "Rep_SideFeed_1" Always Returns the first feed found. In addition, the number of the Tray
where the feed was found can be obtained with the following path "Rep_SideFeed_1_TrayN")
The report Column Tray Page 1 uses the paths described above
Other available options within the datasheet layouts include:

Thin & Thick Boarders = any thin or thick boarders will be picked up from Excel. Thick boarders running hori-
zontally should only be used if running across the whole datasheet.
Cell Text Formatting = any text alignment or Bold formatting will be shown in the VMGSim datasheet.
Grey Background Color = any background colour with the exception of solid red will be shown in the VMGSim
datasheet as a light grey background coloured cell.
Checkbox Cells = any solid red background colour in an Excel worksheet will appear as a bordered 1 cell check-
box in the datasheet.
Material Stream Summary

General
This tool is a preconfigured summary of all the streams of a specified flowsheet.
The form is alive, and the values can be changed there.
Open the Material Stream Summary

This feature can be accessed from the Reporting Menu
It also can be accessed from the simulation tree, by double clicking on the Material Streams Row.
Note: When the summary is opened from the simulation tree, the drop down list to select the flowsheet is deac-
tivated; this is because the summary belongs only to the flowsheet where the summary was selected.
Configure the Material Stream Summary

Port
Select the material port to be displayed; this is useful when the summary will be used to change values.
Composition
Select composition property to be displayed in a detail mode.
Configure
Click on the Configure button, a configuration form will pop up.
From the configuration form select the streams and properties to be included in the report.
Use the data groups to store and recall the properties list. The data groups stored from this feature are exclus-
ive to be used for the Material stream summary (refer to the Data Groups Section for a description of how the
Data Groups work).
Print, Export, and copy information from the Summary

Use the Print, Export, and Copy buttons to extract the information.
Energy Stream Summary

General
This tool is a preconfigured summary of all the streams of a specified flowsheet.
Open the Energy Stream Summary

This feature can be accessed from the Reporting Menu
An also can be accessed from the simulation tree, by double clicking on the Energy Streams Row.
Note: When the summary is opened from the simulation tree, the drop down list to select the flowsheet is deac-
tivated; this is because the summary belongs only to the flowsheet where the summary was selected.
Configure the Material Stream Summary

Port
Select the material port to be displayed; this is useful when the summary will be used to change values.
Number of stream in row

Set the number of streams to be displayed per row.
Print, Export, and copy information from the Summary

Use the Print, Export, and Copy buttons to extract the information.
Report Export
General
The report export it’s a fast way to get the information from the simulation, it can be exported to excel or to an
easy to navigate html report.
This feature can be accessed from the File Menu.
By selecting the desired information you can configure the amount of information to be exported.
Click on Export.
If the HTML Option is selected, a HTML page named as the case with .html appended will be created. Open it
using your web browser.
An example of the web page is shown below.
Export to Excel Unit Operations

If there is an Excel unit operation installed in the flow sheet, use the Export utility to conveniently export large
amounts of information to Excel.
If not select the Export to Excel option, a new excel report will be created.
Select the Export to ExcelUnitOp radio button as shown below.
Highlight a stream or unit operation.

Click Export.
An example of how the excel report is shown below
Global Report Customization

General
The options and settings in this section are used to customize the reports as much as possible.
Report Header
This information is used when doing any printing directly from VMGS, when doing an export to Word from the
Summary Sets or when exporting to excel or word from the Project Report.
This information can be complimented with the name, address and company logo, as set in the options listed
under the User node.
Note: The logo will be used when using the printing option, when exporting to Word refer to the Word Template
Report section.
Word Template
When exporting to Word, VMGSim uses a Word template which displays the Report Header Information as
footers and headers.
To use another template, specify the complete path in the UserTemplatePath setting in the options window
under the WordExport node. VMGSim will try to find the specified template, if it does not find it a default tem-
plate will be opened.
The only things to be aware of are the left and right margins, they have to be the same as the original VMGSim
Template, If not the information might not fit properly.
Creating a Custom Template

VMGSim will look for the pre-defined tags and replace them with the information stored in the simulator (i.e.
place the <Customer> in the header of the template, and VMGSim will display the Customer name specified in
the report header).
Tag Description
< Customer > Information stored in Customer under Report
Header.
< JobNo > Information stored in JobNo under Report
Header.
< Preparedby > Information stored in Preparedby under
Report Header.
< Project > Information stored in Project under Report
Header.
< Comments > Information stored in Comments under
Report Header.
< Custom > Information stored in Custom under Report
Header.
< Company > Information stored in Name under User Node
in options form.
< Address > Information stored in Address under User
Node in options form.
< CaseName > Project name.
< CasePath > Displays the full path of the case.
< ProgramName Displays the name of the application.
>
< ReportTitle > Displays the title of the current report.
< ReportDe- Displays the description of the current report.
scription >
The following image shows an example of how the tags can be set.
Word and Excel Tables

The table format can be specified by changing the settings in the Report Settings form.
Changing the value of PageBreakWhenTablesDontFit will change the behavior of how tables are displayed in
Word, if True it will force a page break if the table does not fit.
Data Group
General
The Data Groups are designed to store and recall sets of variables and their configuration per unit operation
type, per environment (i.e. the data groups of streams in the material balance table environment won’t apply in
other environments).
Each unit operation type has their own data group, these are not shared between unit operation types.
Saving
To store a set of variables and their configuration (display units, display name, format) press the button “Save
selected items as Data Group”, this will make the Save as Data Group form to appear.
When the checkbox Create New is checked, an extra text box will appear in order to set the new name.
Check Set as Default to save as the basis for a unit operation type. For example, when a summary of coolers is
created, the summary searches for the default data group of coolers in the environment Summaries and loads
the stored variables.
Loading
The loading process occurs automatically when a new data summary object (Summary, Stream Material Sum-
mary, Material Balance Table) is created; the Summary Object loads the variables from the default Data Group.
To load from a different data group or reload the current data group to discard changes, click on the Load from
Data Group button, and the loading form will appear.
The drop down menu contains all the data groups of the current unit operation type in the actual environment.
The option to make the loaded data group default is always available.
Edit Data Group

The data group editing options are Remove, Rename or Set as Default.
To edit a data group click on the Edit Data Groups button, and the edit form will appear.
The drop down menu contains all the data groups of the current unit operation type in the actual environment.
Data Group Environments

The data groups can be accessed from the material balance table, material stream summaries, summary sets,
and project report when the option “As Summary” is selected. Each one is considered an “environment”
The data groups are environment dependant, this means that they are not shared with the other environments,
(i.e. if in the material balance table there is a group created to display only temperature, this data group won’t be
accessible for Summary Sets)
The only two environments that share data groups are Project Report and Summary Sets.
Importing Cases into VMGSim

Importing Cases into VMGSim
VMGSim allows integrated process models to rapidly be developed through the use of the Import functionality.
The Import function will place the contents of the selected case into a flowsheet which will then be added to the
main flowsheet of the current case. The import feature will also add the property package used in the selected
imported case to the property package of the case, and will be used in the in the imported flowsheet. Once a
case has been imported the new flowsheet can be used in the same way as any other flowsheet in VMGSim
and material, energy and signal connections can be made between the unit operations contained within it and
other unit operation in the case.
Note that as always a cross connector must be used when connecting material streams between flowsheets,
sub-flowsheets and unit operations that use different property packages.
To Import a Case
Begin by creating a New or loading and existing case. Open the File Menu bar and select import.
Once selected a file selection form will appear that allows the case to be imported to be selected.
Once the case is selected press the Open button, this will begin the importing process. After the Case is impor-
ted the imported flow sheet will be the active sheet in the pfd.
Focusing on the Main Flow sheet will show that the imported case is contained in a flowsheet.
Also note that the property package of the imported case has been added and that the flowsheet will be using
this.
Import Example 1
This example will demonstrate how an existing case can be enhanced using the import feature by importing a
refrigeration plant and connecting it o the condenser duty of a tower. This will allow the details of the refri-
geration loop to be investigated as the operating conditions of the tower is changed.
Begin by opening the Towers - Distillation\IntroductiontoVMGSimTowers.vmp contained in the Manual

Examples folder.
Open the File Menu bar and select Import.
Once selected a file selection form select the Flowsheeting Examples\AmmoniaRefrigeration.vmp and then
press the open button.
Once the Open button is pressed, this will begin the importing process. After the Case is imported the Ammo-
niaRefrigeration flowsheet will be the active sheet in the pfd.
Open the Chiller_1 form.
Delete the Value for InQ. This will cause the refrigeration loop to become unsolved, and will allow InQ to be spe-
cified by connecting it to the condenser duty of the tower without having a consistency error.
Navigate to the Main Flowsheet.
Navigate Back to the AmmoniaRefrigeration Flowsheet and open the form for Q3.
Highlight the Connection cell for Energy In and select Browse from the pull down list.
Use the Navigation form that appears to select the condenser energy of tower T1.
Once selected click Ok, this will cause the duty from the tower condenser to be passed to the Chiller_1 and will
allow the refrigeration plant to solve.
Notice that the calculated ammonia circulation rate is now base on what is requires for the current operation
conditions of the tower and any changed to the tower will immediately be taken into account in the refrigeration
loop.
Import Example 2
This example will demonstrate how integrated flowsheet models can be built using existing case by importing
and then connecting it to a MDEA gas treating plant.
Note that you will need to have the Amine and Claus Licenses in order to perform this example.
Begin by opening the Flowsheeting Examples\MDEAExample.vmp contained in the Manual Examples folder.
Open the File Menu bar and select Import.
Once selected a file selection form select the GPSAClausPalntExample.vmp and then press the open button.
Once the Open button is pressed, this will begin the importing process. After the Case is imported the
GPSAClausPlantExample flowsheet will be the active sheet in the pfd.
Open form for the Sour Feed stream.
All of the specified information in Sour Feed. This will cause the Claus plant to become unsolved, and will allow
Sour Feed to be specified by connecting it to the Acid Gas stream of the MDEA plant via a cross connector.
Navigate to the Main Flowsheet.
Create a cross connector and connect it to the Acid Gas stream.
Open the form for the cross connector.
Highlight the Connected Stream/Unit Op cell for the Outlet and select browse from the pull down menu.
Use the Navigation form and select Sour Feed in the GPSAClausPlantExample flowsheet.
Click Ok, this will cause the stream information for the Acid Gas stream to be passed to Sour Feed.
Note that the difference in the components available in the Main and GPSAClausPalntExample flowsheets.
Move to the GPSAClausPalntExample flowsheet, notice that after the stream information from Acid Gas has
been passed to Sour Feed there is enough information for the Claus plant to solve.
Tutorials
Gas Dehydration using TEG
The following example will demonstrate how Triethylene glycol (TEG) units can be modeled in VMGSim. Useful
features of VMGSim will be illustrated through the example
Start up VMGSim and select the APR for Natural Gas property package. Add the following components:
N2; H2S; CO2; C1 ;C2; C3; iC4; nC4; iC5; nC5 to the property package. Your Property Package Windows
should appear as below.
We will now create a component group which contains the above common natural gas components to help
speed up the creation of future simulations. Click the Comp Group… button, the following form will appear.
Enter a Name from the Component Group Name ,such as “Typical NG Comp” and Click Ok (if you check the
Set as Default Radio box this component group will be selected by default when a new VMGSim Case or Prop-
erty package is created). You can access the newly created component group via the Family pull down list (com-
ponent groups) will be at the bottom of the list.
Now add the hypothetical component C6+ (with molecular weight 115, NBP 248 F, Liquid Density 43.5 lb/ft3),
Water and TEG to the component list. Press Ok to go to the main flowsheet to begin building the simulation.
Switch the unit set to Field. Create a material stream and name it WetGas and define it as shown below, note
that you can directly enter component molar flow rates.
Now let’s create the Lean TEG feed to the absorber. For the time being, lets create an estimate for the lean
TEG solution used in the dehydration as 156 US gallons per hour and 99 wt% TEG at 1005 psia and 110 F.
Recall that estimated values are set using the “~” symbol. Alternatively, you can check the "Is
Recycle" checkbox at the top of the form so all specs will be marked as estimates.
Please note that by typing 156 followed by a space in the StdLiqVolumeFlow cell the following pull down menu
will appear which allows the appropriate units to be selected.
Once Enter is pressed VMGSim will perform the appropriate unit conversion and the StdLiqVolumeFlow will
appear in ft3/s which is the default of the Field unit set.
The estimated LeanTEG stream is shown below.
We will now add a separator and pass the Wet Gas through it before it enters the TEG contactor. Add a sep-
arator TEG Inlet Separator and connect Wet Gas to it’s inlet and Gas to TEG Contactor to the vapor outlet of
the separator. Now let’s add the TEG Contactor. Drag and drop the absorption tower into the flowsheet:
Connect the Lean TEG and Gas to TEG Contactor feeds as shown below:
Let’s set the proper number of trays and pressure profile in the tower. Double click on TEG Contactor:
And click on the Add/Remove Stages… button
Our TEG contactor has 3 ideal stages thus add 1 more stage as shown below.
Now click on the Specs/Estimates tab and set the pressure profile as shown below.
Click on the Convergence tab and press the Solve button.
The tower will converge in a few iterations.
We will now depressurize and flash the rich TEG solution leaving the contactor before entering the regenerator
using a valve and a separator. Add a valve and connect it to the bottoms of the contactor then connect the outlet
of the valve to the separator. Now add a shell and tube heat exchanger (Rich Lean Exchanger) and connect the
liquid outlet of the separator to the tube-side In port of the heat exchanger as shown below.
Set the pressure drop on both sides of the exchanger to be 2 psia. Also set the pressure and temperature of the
exit of the heat exchanger to 60 psia and 300 F respectively.
Note that there is now enough information for V1 and the separator to solve, and the regenerator feed will auto-
matically be calculated.
Now let’s add the TEG regenerator. Add a distillation tower and connect it to the tube-side Out port of the heat
exchanger (Rich Lean Exchanger) as shown below.
We now have to set the proper layout for the regenerator. The TEG regenerator has just 1 ideal tray thus the
default layout of the distillation tower already has the right number of stages. The rejected water will be vented
at 14.7 psia. The bottoms of the regenerator runs at 15 psia.
Note that the Spec matrix already shows the proper number of specifications based on the tower layout we
provided. In this case we have to set 3 specifications before the tower can run.
Due to TEG thermal degradation problems, the maximum temperature we can run the regenerator is approx-
imately 400 F. We will use this as the tower specification. Click on the Add... button at the top of the Specs and
Monitored Values frame. The spec dialog will appear.
Set the specifications as shown below:
Click OK.
Now specify the second spec. Lets specify the temperature of the condenser to be 215 F.
Finally let’s specify the liquid distillate product to be zero.
Note: That you could remove the need to specify the condenser liquid flow rate to be 0 lbmole/hr by removing
the condenser liquid draw and thus changing the degrees of freedom of the column from 3 to 2. To remove the
condenser liquid navigate to the configuration page, select CondenserL and press the delete key.
Which will result in the following:
Select the Convergence tab and Click Solve. The regenerator will converge in a few iterations:
A certain amount of the TEG circulating in the dehydration plant will be lost to the “Sales Gas”, “Flash Gas” and
“Regenerator Overhead”, we need to add a mechanism to account for and adjust the amount of Make up TEG
being fed to the system. Recycled solvent systems like TEG contactor regenerator systems as well as amine
treating systems require a make up mechanisms to prevent solvent concentrations from snowballing. If no TEG
was added as a make up stream the TEG concentration circulating through the system would eventually tend to
0 as the recycle was solved. This example will use a relatively simple method to account for the TEG lost.
Create a Mixer with the CalcPressureMode set to AllPEqual and connect the TEG regenerator bottoms to it.
Create a new material stream called TEG Makeup and specify it to have a TEG mass fraction equal to 0.99 with
the balance water and a Temperature of 100F, connect TEG Makeup to the mixer M1 remaining In material
port as shown below.
The mass flow of LeanTEG corresponding to 156 US gallons per hour is 1467 lb/h. Lets specify this value as
the Out flow of M1. Note that the TEG makeup is automatically calculated. Connect the outlet of the mixer to the
remaining inlet of the Rich Lean Exchanger. Now let’s add a pump to pressurize the lean TEG solution to feed
the contactor. Create a pump P1 with 75% efficiency. Connect the remaining outlet of the Rich Lean Exchanger
to the inlet of P1 as shown below.
You will notice that that several of the unit operations are not arranged in the most aesthetically pleasing man-
ner and that we are running out of room on the right hand side of the PFD. We will break momentarily from the
completing the example to introducing some useful features when it come to configuring the PFD. We will first
zoom into the area surrounding the mixer, press and hold both the Shift and Ctrl keys to enable a zoom tool,
then selected the area surrounding the mixer by clicking and holding the left mouse button until the desired
zoom area has been selected.
To change the orientation of an icon simply select it and press ctrl+H.

Which results in the following:
Zoom out to view the whole PFD by pressing Ctrl W and change the orientation of the pump.
We will now extend the size of the drawing page so that the entire flowsheet will fit on to it. First scroll the PFD
over so that you can see the end of the drawing page.
Press and hold the Ctrl key and mover the cursor to the edge of the drawing page, the cursor will change to a
sizing cursor. Still holding the Ctrl key click and hold the left mouse button and extend the page to the desired
size.
Connect a material stream named Sales Gas to the contactors vent. We will now add a heat exchanger which
will use the Sales Gas to further cool the Lean TEG before it enters the contactor. Specify the newly added
exchanger as shown below.
The flowsheet should appear as shown below at this point.
Finally complete the simulation by connecting the Lean TEG material stream to the tube outlet of Sales Lean
Exchanger. This will cause the simulation to iterate until the recycle converges.
We can now enhance the functionality of the simulation by added special property operations to keep track of
the water content in both the Gas to TEG Contactor and Sale Gas stream. Add a special property operation to
the flow sheet, and then open the Gas to TEG Contactor Form. We will create a clone of the out port in this
stream which we can use to propagate information to the special property operation. Click the Create Port but-
ton.
In the resulting form that appears select Out and then click Clone.
This will create a second out port in this stream (which can be viewed by selecting the Detailed View box). Now
open the special property operation form and from the In port Connection select the cloned out port.
Once the connection has been established navigate to the Natural Gas Prop Tab and click on the Water-
Content check box.
You’ll notice that the Water Content is calculated and added to the list on the left of the Tab.
This value can be made available for display on the PFD by selecting the special property icon on the PFD right
clicking and then selecting Show Data Sheet.
Click Ok on the form that appears and then the datasheet for this special property will be created which will
show the live water content value of this stream on the PFD.
Repeat this procedure for the Sales Gas stream, which should result in.
You can now adjust the specified values to see the effect they have on the Sales Gas water content value. You
can do this by navigating to the particular form via the simulation tree or PFD but the Specification Panel (View -
> Specification Panel or the button in the toolbar) summarizes all of the specified values in the simulation.
Specified values can either be changed directly using this form or by double clicking the specified value descrip-
tion to bring up the respective unit operation form.
Another useful feature, particularly for large cases where there are several key values that must fall within a cer-
tain range of values is the Alarm Monitor( Tool -> Alarm Monitor or the button).
The Alarm Monitor allows you to add tags that will be monitored and indicate whether the value lies within the
desired range. For example in this case it is desired to have the water content in the sales gas to be below 4
lb/MMSCF. Add a Tag by clicking the Add Tag button. Navigate to the WaterContent Port Value for the special
property that was attached to the Sales Gas Stream and click Ok.
Finish specifying the Tag by adjusting the MinValue and MaxValue values to be 0 and 4 respectively. Note that
you will need to click the Update Result button after making these changes.
Experiment with the specified values in the case and use the alarm monitor to help indicate whether you exceed
the limits that were specified.
This example can be found in the Examples folder, file Flowsheeting Examples\TEGCase.vmp
Tutorial Ammonia Refrigeration Loop

Given the interactive nature of VMGSim, the best way to learn to use it is by running it and experimenting. In this
case, we want to design a simple refrigeration plant using ammonia to remove 250,000 BTU/h from a certain
process. We want to keep the refrigerated room at 50 F, and the lowest water temperature we can have for the
condenser is 100 F. Assume that the pressure drop for the condenser and chiller are equal to 2 psia and that
the efficiency of the compressor is 75%. What are the pressures in the system and what is the necessary refri-
gerant flow?
VMGSim was designed to take advantage of two characteristics related to the way we solve engineering prob-
lems.
Information Propagation
VMGSim will propagate as much information as possible through the flow sheet as soon as you enter the inform-
ation, forwards and backwards from the entry point.
Automatic degrees of freedom monitoring

VMGSim continuously monitors the information available in the flow sheet and as soon as degrees of freedom
are satisfied, flash calculations are invoked; information is calculated and again propagated as described in the
item above.
VMGSim’s design allows us to start specifying a problem from the most convenient place without worrying
about specific calculation sequences.
Starting a Simulation
When you start VMGSim for the first time you will see the window below.
New project icon
Open an existing project

icon
Click on the New Project icon to start a new case.
When you start a new case in VMGSim the following actions happen in the background:
1 VMGSim reads all the necessary configuration information

2 The Sim42 simulation kernel is started
3 The VMGThermo property package system is initialized
You will notice that VMGSim has a Windows Explorer like appearance where all the available unit operations
are available in the Main Flow sheet tree.

The next step into creating our simulation is the selection of a property package.
A property package is a collection of methods that perform ther-

modynamic and physical property calculations. Usually property pack-
ages are created for specific process industries and they encapsulate
many years of expertise in the way thermodynamic equilibrium and
transport property calculations are performed, as well as how miss-
ing information is estimated. If you are not experienced in issues
related to thermodynamics make sure you have VMG’s Thermo
manual close by. Also do not hesitate in contacting VMG for help on
selecting property packages.
Note that by default the property package selection form pops up. You can always access the property package
system by clicking on the Thermo Model button.
Thermodynamic Model
Icon
Note the Chemical System Categories and the Property Package Selection frames.
Selecting a Chemical Compound

Now that we have a property package selected we need to add a compound, in this case ammonia, for the sim-
ulations. Click on the Components tab.
Now click on the Compound text box and type “ammonia”.

You will notice that the entire database is scanned for the desired compound and the matching component list is
updated every time you type a letter belonging to the name of the component you are looking for.
Highlight AMMONIA.
Hit <Enter> or double click on the component name or click on the Add Selected button.
Note that the Selected Compounds frame now shows Ammonia as a selected compound. Click OK.
Defining the Refrigeration Loop

With a property package and a set of compounds we are ready to start calculations.
For this example we will be using Field units, use the drop down menu in the upper right hand corner of the
VMGSim form to ensure the Field units are selected if not. Click the drop down menu and select the “Field” unit
set, click ok on the dialog box asks if you want to change your active units to Field.
Right click on the MaterialStreams under the Main Flow sheet tree and you will see an option to add a Material
Stream. (Note that the same actions can be done by dragging the unit up from the Visio Stencil)
Click on Add MaterialStream.
VMGSim automatically created a Material Stream named S1.
We can now proceed by assembling the refrigeration loop.
You may have noticed that the Material Stream has two ports, one
named In and the other named Out. Please make sure you have read
the discussion on ports from the previous section.
Let’s assume that S1 is the stream leaving the chiller and therefore is at its dew point.
Note that VMGSim takes the vapor fraction of 1 as a specification and it is shown as such by the light blue color
in the cell’s background. Since we want a temperature of 50 F, let’s assume an approach of 10 F for the chiller
and therefore the dew point vapor should be at 40 F.
Note again that the temperature of 40 F is taken as a specification. Also note the tool tips for units.
Now click on the cell corresponding to the Fraction.AMMONIA row. Type 1 to specify a pure ammonia stream.
You will be immediately put into the composition form.
Click OK
Note that the dew point pressure was automatically calculated, as well as all intensive physical properties.
Now let’s create a compressor and connect it to the material stream S1. In the Main Flow sheet tree right click
on Compressor and click on Add Compressor as shown below.
The compressor form will pop up as shown in the next figure.
Double click the name textbox and change the name to COMP_1, press enter after editing the text.
We now specify the adiabatic efficiency for the compressor as 75 %.
Now we have to connect the material stream S1 to the In port of compressor COMP_1. You can do this by click-
ing on the Connected Stream/Unit Op In cell.
And now we have the material stream S1 connected to the compressor COMP_1. Note that all available inform-
ation from S1 is propagated to the In port of COMP_1. Propagated information is shown in yellow.
If you have Visio installed on your computer you can drive the simulation directly from the PFD.
Visio PFD
button
Click on the Visio PFD button. Note you may need to adjust the scroll bars locations in the Visio window to dis-
play the current graphic flow sheet display.
The yellow arrow is the material stream S1. When material streams are not completely calculated they appear
as yellow.
From VMGSim’s perspective material streams and energy streams are just another unit operation.
Let’s now create a new material stream that will connect the compressor Out port to the cooler In port. Just
right-click on MaterialStreams in the Main Flow branch of the simulation tree and select Add MaterialStream.
After that connect the newly created stream S2 to the Out port of COMP_1.
If you have Visio installed and the Visio window is showing, you could have also added the new material stream
by dragging the stream icon from the Visio icon palette and attaching it to the Out port of COMP_1.
This is the view of the compressors Material Frame:
This is immediately reflected on the PFD:
Now we will add a condenser for the compressed ammonia. From the Main Flow branch of the simulation tree
right click on the Coolers node and select Add Cooler. You will have the following cooler form:
Change the name from C1 to Cooler_1. Now let’s specify the pressure drop across the cooler at 2 psia and also
let’s connect the Out port of S2 to the in port of cooler Cooler_1.
Notice again the information propagation. Although we do not have any pressures or temperatures available,
the simulator correctly propagates the fact that we have pure ammonia coming into the condenser.
The flow sheet now has the compressor and condenser unit operations attached.
Now we create another material stream and attach it to the Out port of condenser Cooler_1. We want to pro-
duce a bubble point liquid at the end of the condenser at 110 F (we are again assuming a 10 F approach based
on the available cooling for our refrigerator). We can specify the bubble point condition and the temperature
right at the Out port of condenser Cooler_1.
Note that the pressure at the condenser outlet is calculated.
Now we add a valve to expand the compressed ammonia. Right click on the Valves node in the Main Flow
sheet branch of the simulation tree and click Add Valve. Connect the in port of the valve with the Out port of
material stream S3 as shown below.
Create a new material stream and connect it to the Out port of the valve. Now create the chiller by right clicking
on the Heaters node in the Main Flow sheet branch of the simulation tree. Rename the heater Chiller_1 and
specify the pressure drop across this heater to be 2 psia and a duty of 250,000 BTU/h.
Now connect the Out port of Chiller_1 to the in port of stream S1.
Note that now the entire flow sheet is solved, including the previously unknown flow of refrigerant. You can get
a convenient summary of all material streams by double clicking on the MaterialStreams node in the Main Flow
sheet tree.
If you have Visio installed you will be able to see the entire flow sheet solved. Note that the solved material
streams are now shown in blue and purple while previously they were shown in yellow.
Light blue – gas

Dark blue –
liquid/vapor
Purple – liquid
Also note that the compressor and condenser duties were calculated, but we have not added energy streams to
any unit operation. All of the VMGSim unit operations have the necessary material and energy ports, and there-
fore the compressor and the condenser duties were calculated and placed in the proper energy ports.
For example, just examine the compressor COMP_1. If you have Visio installed move the mouse pointer to
COMP_1 and double-click. If you do not have Visio go to the Main flow sheet tree and double click on COMP_1.
Note that you can easily add energy streams to the energy ports as well. As we proceed you will also learn that
you can create flow sheets by directly connecting in and our material ports from unit operations. The figure
below shows the same flow sheet with attached energy ports.
You can examine the energy streams just as any other unit operation.
This example can be found in the Examples folder, file Flowsheeting Examples\Am-
moniaRefrigeration.vmp
Dew Point Gas Plant Tutorial

Dew Point Gas Plant
The following example will demonstrate how to develop a dew point gas plant for treating a natural gas feed.
To start, open VMGSim and start a new project. To start a new project either press the blank page icon, press
Ctrl + N, or go under File > ‘New Project’.
This will bring up the following view. The VisioPFD is in the background, with the property package selection in
the foreground.
First, we will select the property package and components. We will use the ‘APR for Natural Gas’ property
package. By default, all property packages are available in the ‘Thermodynamic Model’ dropdown menu. APR
for Natural Gas can be selected by using the dropdown menu. It can also be selected by choosing ‘Natural Gas
Processing’ from the ‘Chemical System Categories’ frame.
The components can now be added. To do this, select the ‘Components’ tab at the bottom of the form. The
components that will be used are nitrogen, carbon dioxide, methane, ethane, propane, isobutane, n-butane, iso-
pentane, n-pentane, n-hexane, a heavy hydrocarbon hypothetical compound, water and ethylene glycol (EG).
First, the components before the hypothetical compound must be selected.
To start, in the ‘Compound’ cell, enter the first compound. Typing the entire name (Nitrogen), the chemical for-
mula (N2) or the CASN (7727-37-9) can do this. For each method to be used to select the compound, its check
box must be selected. Also, there are several shortcuts available. For example, for hydrocarbons, C1 can be
entered for methane and iC5 for isopentane.
Enter the first ten compounds into the compound cell, separating each compound by a semicolon in the com-
pound list. The list will look as follows: N2; CO2; C1; C2; C3; iC4; nC4; iC5; nC5; nC6;
Once these are entered, the ‘Enter’ key can be pressed twice to add the compounds. The first press selects all
of the compounds and the second press adds the compounds. Once all of the compounds are selected the
‘Add Selected’ button can also be pressed.
The hypothetical compound must now be created. The property package needs to be applied to the project
before a hypothetical compound can be added. To do this,press the ‘Apply’ button. Notice how before applying
the property package there is a message across the top of the form stating that the property package is not yet
defined. It also states that the ‘Kij’ and ‘Oil’ buttons and the ‘Hypothetical Compound’ tab are not available.
These are only available once a property package has been added to the project. Applying the settings sets the
property package, as well as adding any of the selected compounds to the project.
To add a hypothetical compound, select the ‘Hypothetical Compound’ tab.
To add the new hypothetical compound, press the ‘Add New Hypo’ button.
The hypothetical compound will be named ‘C7+’ and will have a normal boiling point of 215F. To be able to add
a hypothetical compound, there are two different sets of minimum specifications that are needed. At the min-
imum, either the normal boiling point or the molecular weight and the liquid density are needed to create a hypo-
thetical compound. Enter the name in the name cell. Then, select the ‘Basic Properties’ tab. Enter a normal
boiling point of 215F.
Press ‘OK’. This will add C7+. Once the new compounds are applied, C7+ will be treated as all other com-
pounds while flowsheeting. Return to the ‘Pure Compound Search’ and enter the last two compounds, water
and EG.
If it is desired to use this set of components another time, a component group can be created. To do this, press
the ‘Comp Group’ button. This will open the following form. Specify the name of the group to be
‘Refrigeration’. Note that hypothetical compounds are not able to be added to a component group.
This component group can now be selected in the ‘Family’ dropdown menu. This will add the entire component
group to the selection queue.
Alternatively, it is also possible to Export the full property package description to a given location in your hard
drive. This allows you to share this particular group of compounds and settings with other colleagues who can
then Import them in their own cases. Note that this method will be able to save the hypothetical compounds.
Refer to the Adding a Property Package in VMGSim section for further details.
Double clicking on a compound in the ‘Select Compounds’ frame, can allow the properties for that compound to
be seen. Double clicking on nitrogen, opens the following information.
There are three different property types that can be viewed: Basic Properties, Temperature Dependent Prop-
erties, and Other Properties.
For the temperature dependent properties, a temperature must be specified. The default temperature is 25C
(77F).
After leaving the ‘Properties’ form, pressing ‘OK’ will apply all of the settings and exit the property package form.
This will apply all of the compounds and exit the form.
Adding a stream or unit operation
The feed gas stream can now be created. Selecting the material stream from the PFD Palette and dragging it
onto the PFD can do this. Any of the available unit operations can be created through this method. There are
six different categories of unit operation icons that can be selected in the ‘Shapes’ window, including Claus and
tower unit operations. Some categories contain the same unit operations, but provide different visual icons for
them, such as PFD and PFD2.
Another method of creating streams and unit operations is to use the simulation tree. To view the simulation
tree, select the simulation tree button.
This will bring up the simulation tree.
A unit operation or stream can now be added by clicking on the desired operation and clicking . For
example, a material stream can be added as below.
Once selected, this new unit operation can be opened, found on the PFD, cloned, or deleted using the sim-
ulation tree using the respective buttons. Now remove the newly created material stream and add the material
stream using the PFD. To return to the PFD, press the PFD button.
Now add a material stream to the PFD by dragging the material stream icon onto the PFD.
Double click on the stream S1 to open it. It will bring up the following form.
Change the name of the stream to ‘Inlet Gas’. Enter the temperature to be 140F and the pressure as 1060 psia.
By clicking on ‘[Fraction]’ within the ‘Mole’ node, it will bring up a form that allows the individual component mole
fractions to be specified. Specify them as below.
Press ‘OK’. For the stream to be fully solved, an extensive variable must now be specified. A stream needs two
intensive variables, a composition and an extensive variable to be fully specified. VMGSim continually monitors
these degrees of freedom, and when they are satisfied, the unit operation or stream is solved. Note, however,
that once two intensive variables and composition are specified that the intensive properties of the stream are
known. Opening the ‘Properties’ node allows these properties to be seen.
For the inlet gas, a standard gas volume flow of 2.0 MMSCFD will be specified. The inlet feed is now fully spe-
cified.
Now attach a separator to ‘Inlet Gas’. The stream is attached to the separator using material ports. Each unit
operation has at least 2 ports, an In port and an Out port. Information enters a unit operation through its In port
and leaves through its Out port. The port allows information to be stored in the port. This stored information
can then be sent to a port that becomes attached to it. This allows the propagation of information from one port
to another to occur. Any attached ports will share information. Also, information can be propagated or used for
calculations across a unit operation itself. The In port is labeled with an ‘X’ on the PFD, while the Out port is
labeled with a circle. When two ports are close enough to each other to be attached, a red box will surround the
ports. For the separator and the stream, it will look as follows.
Click on the separator and change the name. Clicking on the unit operation and typing the new name does this.
Change the name to ‘Inlet Separator’. Opening the separator form and changing the name in the name cell
could also change the name.
Before continuing, make sure that the feed and separator are located near the middle of the drawing sheet. To
do this, click on the PFD and drag a box around the stream and the separator. This will select both of them.
Now click on one of the top objects and drag them to their desired location. Press Ctrl+W to view the entire
drawing area.
Now click away from the selected area to deselect the stream and separator. Then click on the stream and
grab the node at the top of the drawing pad and move it to the middle of the pad. The end node stays in place
because the node connections are locked. To unlock the connections, right click on the background of the PFD
and select, ‘Unlock Connections’.
Unlocking the connection will allow the end node to move along with the separator as it is moved.
To zoom in to a desired area, hold SHIFT+CTRL and drag the magnifying glass to form a box around the
desired area.
There are several different display options for organizing and displaying flowsheet information on the PFD.
One option that can be changed is what information id displayed on the PFD for a stream; whether it is the
name, temperature, pressure, mole flow rate, mass flow rate, energy or nothing. This can be changed by right
clicking on the stream shown on the PFD and selecting ‘Stream Display Option’.
It can also be done using the following hot keys.
Display Option Selected Hot Key

Name CTRL+SHIFT+N
Temperature CTRL+SHIFT+T
Pressure CTRL+SHIFT+P
Mole Flow CTRL+SHIFT+F
Mass Flow CTRL+SHIFT+M
Energy CTRL+SHIFT+E
There are also several hot keys for zooming in and out of the PFD and changing the view of the PFD.
Action Hot Key

Zoom out CTRL+SHIFT+right-click
Zoom in CTRL+SHIFT+left-click
Zoom to page size CTRL+SHIFT+W

Zoom in on a selected area CTRL+SHIFT+drag a rectangle
Pan CTRL+SHIFT+right-click and drag the pan
The text displayed can also be edited. Selecting the text to be edited and using the following keys does this.
Text Effect Hot Key

Italic CTRL+I
Underline CTRL+U
Double underline CTRL+SHIFT+D
All caps CTRL+SHIFT+A
Small caps CTRL+SHIFT+K
Decrease font size CTRL+SHIFT+,
Increase font size CTRL+SHIFT+.
Subscript CTRL+=
Superscript CTRL+SHIFT+=
One last set of hot keys allows the orientation of unit operation icon itself to be changed.
Action Hot Key

Flip horizontal CTRL+H
Flip vertical CTRL+J
Rotate left CTRL+L
Rotate right CTRL+R
For a unit operation with multiple icon options the icon can be changed by right clicking on the icon on the PFD.
Selecting ‘Switch Icon To’, a menu with all of the available icons can be seen. The unit operation acts in the
same manner in the simulator no matter which icon is selected. It is a purely visual change.
Sometimes the PFD size is not large enough. To fix this, hold CTRL and hover over the edge of the drawing
pad. A double-headed arrow will appear. By clicking and dragging the edge the drawing pad can be resized.
Developing the flowsheet
As mentioned, icons can be moved by dragging them. Selecting them and moving them with the arrows on the
keyboard can also be done. They can be moved in small increments by holding SHIFT and then using the
arrows. Moving a stream with arrows will disconnect the stream from any unit operations that is it attached to.
One last set of PFD options are those that can be selected by right clicking on the PFD.
One useful option is the “Text Block Tool”. This changes the pointer arrow on the PFD to a text box, allowing
stream and unit operation labels to be moved and new text blocks to be created. Right clicking on the PFD can
return the text block tool into the pointer tool.
Continuing to develop the dew point plant, connect a stream to the top of the separator and a stream to the bot-
tom of the separator. Name these streams as below.
Now, create a mixer and attach ‘Separator Gas’ to its bottom In port. This mixer will need 3 In ports. By default,
a mixer has 2 In ports. To create a new port in the mixer, right click on the mixer in the PFD view, selecting
‘Create Port’. This will add a third port.
Entering the mixer’s form and pressing ‘Create Port’ can also create the port.
Also, if too many ports are created they can be deleted by pressing the ‘Delete Port’ button or by using the PFD
right click menu.
Two more material streams will now be created. One will contain water and ethylene glycol. The other will be a
recycle stream coming from the stabilizer. The ethylene glycol stream will be called ‘EG’, have a temperature of
165F, a pressure of 1060 psia and a mass flow rate of 50 lb/hr. The composition will be a mass fraction of 20%
water and 80% ethylene glycol. The mass fraction is specified in the same way as mole fraction, except that the
‘Mass’ node should be used in the stream form, instead of the ‘Mole’ node.
The other stream that will be created will be the recycle stream. This stream will come from the vapor product of
the stabilizer and be returned to the mixer, making it a recycle stream. For this case, the In port will be the
recycle port. Create a new material stream and name it ‘Recycle’. To change a material port into a recycle port,
check the "Is Recycle" checkbox at the top of the form. Alternatively, one of the specifications in the stream may
be preceded by a ‘~’. For example, the temperature could be specified as below.
When a port is a recycle port, the port’s information is italicized with a red background. Specify the temperature
as 140F and the pressure as 1060 psia. The mole fraction will be set as 60% methane and 40% ethane. Fin-
ally, the mole flow will be 200lbmol/hr.
The way that recycle ports work is that when an In port is turned into a recycle port, the backward propagation
of information is turned off, and when an Out port is turned into a recycle port, the forward propagation of inform-
ation is turned off. Most often, only In ports are turned into recycle ports. If the In port is a recycle port, once an
Out port is connected to the recycle port, the In port’s information will be replaced by that in the Out port. This
allows a recycle port to initialize a process and then be updated as the case solves.
Connect both ‘EG’ and ‘Recycle’ to the mixer.
Notice how for a stream or a unit operation, once it solves it will change color. Unsolved operations are yellow
and when solved they turn to black. Unsolved material streams are also yellow, but the color that they become
depends on the state of the stream. A liquid stream turns pink, a two-phase stream turns dark blue and a vapor
stream turns light blue.
Adding a stream to the output of the mixer, attach that stream to a heat exchanger and name them as below.
The gas-gas exchanger will have a 5 psi pressure drop in both the shell and tube sides of the exchanger, as well
as an approach temperature of 15F.
Create another heat exchanger and name it ‘Gas-Feed Exchanger’. Connect the Out port from the gas-gas
exchanger to the In port from the gas-feed exchanger.
Specify the pressure drop in both sides of this exchanger as 5psi as well. Notice that even though the heat
exchangers are not fully solved, the pressure value is calculated in the tube side of each of them. This is
because the inlet pressure of the tube side of the first exchanger is specified and it can be calculated and
propagated to the following exchanger. This demonstrates how information is propagated in VMGSim. As
soon as any information is known and can be calculated in a unit operation it is done so, and propagated for-
ward and backwards through connected material ports.
The tube output from the gas-feed exchanger will now be sent to a chiller. The chiller is represented by a cooler.
There will be a pressure drop of 5psi across the chiller.
From the chiller, the process will go to a low temperature separator (LTS). The separator that is needed for this
situation is a three-phase separator. The vapor output from the LTS will be sent to the gas-gas exchanger’s
shell side and its lighter liquid product will be sent to the gas-feed exchanger’s shell side. The heavier liquid
product will be sent to a regeneration process.
Looking at the ‘To LTS’ stream, the flow rate, composition and pressure are all specified. Therefore, only one
more intensive variable needs to be specified for the stream to be solved. The temperature of the feed to the
separator will be set to satisfy the remaining intensive variable. This temperature will be 10F.
This solves all three streams out of the separator, and therefore the gas-gas exchanger. One more variable
needs to be specified for the gas-feed exchanger to be solved.
The temperature of the shell side output should be set to 88F for the feed to the stabilizer to be solved.
Notice how the status bar in the heat exchanger displays a warning of a temperature cross. This warning can
also be seen on the PFD. The heat exchanger is shown in red, meaning that there is a warning occurring within
it. From the PFD, it can be seen what the error is by pointing the mouse arrow over the heat exchanger. It will
bring up the warning message below.
Although this warning is there presently, once the recycle stream is connected and updated, this warning will no
longer exist.
The separator liquid and gas-feed exchanger shell outlet will now be sent to the stabilizer after each stream
passes through a valve. The valve attached to the separator liquid, V1, will have a 575psi pressure drop.
The valve attached to the gas-feed exchanger output, V2, will have an output pressure of 440psia.
The output of each valve can now be sent to the stabilizer once it is created.
Creating a tower
To create the stabilizer, select the reboiled absorber icon from the PFD2 Palette and add it to the PFD.
Opening the stabilizer form, it can be specified.
When the form first opens, the ‘Configuration’ tab is shown. This shows each port that is present in the sta-
bilizer. Currently there are only 2 stages. The number of stages can be seen at the top of the stabilizer form.
Since 12 stages are desired, 10 stages must be added to the stabilizers. Press the ‘Add/Remove Stages’ but-
ton to do this.
Ten stages should be added below stage 1.
Notice how there is currently only one feed port present. Two feeds are needed for the stabilizer. Therefore, a
new feed must be created. Clicking on ‘<New>’ in the ‘Feed’ section will allow a new feed to be added.
This will bring up the form below. The second feed will enter the stabilizer at the third stage, so change the feed
stage in the form.
Pressing ‘OK’ will add the feed to the stabilizer.
To set the specifications of the tower, select the ‘Spec/Estimates’ tab.
For a tower to be able to solve, the pressure profile and all degrees of freedom must be specified. The degrees
of freedom that need to be set can be seen at the top of the Specs and Monitored Variables frame or in the
form's title bar, next to the number of stages. For the stabilizer, one degree of freedom must be specified. This
specification will be the mole ratio of ethane to propane in the liquid product. To set this, in the Specs and Mon-
itored Variables frame, click on the ‘Add...’ button. The specification form will be brought up.
The type of specification should be changed to ‘Draw Comp Ratio Spec’.
The default ratio type is a mole ratio, so that does not need to be changed. The product stream that this spe-
cification is set for is currently the vapor. This should be changed to the liquid product out of the reboiler. The
components used in the ratio must be selected. The one last option that should be set is the ratio value, which
will be 0.045.
Pressing ‘OK’ will add this specification. Looking at the degrees of freedom, all necessary specifications are
set. The pressure profile must now be set. The pressure of the top stage will be 435psia and the reboiler will be
440psia. A linear pressure profile will be assumed between these stages.
The stabilizer will solve once the two feed streams are attached to it.
Finishing the process
The liquid condensate product out of the stabilizer will not be used during the rest of the process. The vapor
product, however, will be recycled back to the mixer. First, it must be sent to a compressor. When adding the
compressor, it is advantageous for the sake of flowsheet organization if it is flipped horizontally, using CTRL+H.
The adiabatic efficiency of the compressor should be set to 80%.
Note that there is currently not enough output information specified in the compressor for it to solve. One more
variable must be set.
From the compressor, the recycle feed will be sent to an air cooler. The air cooler will have a pressure drop of
2psi.
The output from the air cooler will be sent to the mixer. This means that the previously created ‘Recycle’ stream
will be connected to the Out port of the air cooler. Since the pressures of all of the streams entering the mixer
are 1060psia, the pressure out of the air cooler will be set at 1060psia. With a set pressure drop across the air
cooler, the pressure in the In port of the air cooler will be calculated and then propagated backwards to the Out
port of the compressor, allowing it to now solve. The last specification will be a temperature out of the air cooler
of 140F, the same as the original recycle temperature.
The ‘Recycle’ stream can now be connected to the air cooler. This will cause the information in ‘Recycle’ to be
updated.
Since the temperature and pressure are specified to be the same, the flow rate and composition of ‘Recycle’ will
change with each iteration of the dew point loop.
Opening the ‘Recycle’ stream, it can be seen that the mole flow and composition of this stream have changed
from the initial values. Switch to the Recycle Summary view to compare values across the recycle.
One last addition must be made to finish this case. The shell side output of the gas-gas exchanger should have
a stream added to it to represent the sales gas.
As can be seen, the case is now solved.
Notice how the gas-feed exchanger no longer has a warning message and its color has been changed to black.
To see how the recycle stream and stabilizer converge, open the convergence monitor. This can be done by
selecting its icon on the toolbar or under the ‘View’ menu.
The convergence monitor will show the errors that were present for each iteration of the convergence and the
final converged values. Opening the convergence monitor before the case is about to solve, will allow the con-
vergence to be seen as the case solves.
Convergence can also be monitored from the Convergence Manager tab in the main flowsheet form.
Process Control Update

Now that the case has been solved, there are several updates that can be made to it. One change that should
be made is that the sales gas must reach a pipeline specification where the dewpoint at 800psig is 15F. Look-
ing at our sales gas, the pressure of the sales gas is 1040psia. Therefore, this stream’s temperature and pres-
sure can not be used to determine the dewpoint. What must be used to find the dewpoint is a balance unit
operation.
A balance unit operation allows a specific balance to be performed across it. A mole, mass, energy, energy and
mole, energy and mass, or mass, energy and reactive balance can be performed. For this case, we will use the
balance to perform a mole balance. This will allow us to have the same mole flow and composition for a new
stream, while still being able to specify the pressure and dewpoint. Add a balance unit operation to the ‘Sales
Gas’ stream.
Opening the balance, make sure that the balance type is set to ‘Mole’.
Now create a stream named ‘Dewpoint T Check’ and attach it to the Out port of the balance. This stream will be
checked to see if the dewpoint is at the specification or not. Since we need the dewpoint at 800 psig, specify the
vapor fraction in the stream to be 1 and the pressure to be 800psig. Notice, however, that the pressure in the
stream is set in psia. To specify a pressure in psig, enter the desired pressure of 800 into the pressure cell, and
then press the ‘Space’ key. This will bring up a dropdown menu, which allows the pressure to be set in any avail-
able pressure units in VMGSim. Select ‘psig’.
The pressure is now converted into psia.
Adding a controller
At the current process settings the dewpoint specification for the sales gas is around 14.1F. While this ensures
the dewpoint will be maintained below the required specification it also means that the process is currently tak-
ing more condensate than what is needed to meet the sales gas pipeline dewpoint specification. To change
this, and reduce the chiller duty to the minimum necessary, the temperature of the stream being fed to the LTS
should be changed. This can be done manually, but this is difficult, especially if any of the other process vari-
ables were to change. Instead, a controller can be added which will set the temperature of this stream to be
15F. Start by creating the controller.
For a controller, two variables are needed: one that is desired to be set and one that is changed to reach this
desired value. The variable that will be changed is the manipulated variable. For the controller, this variable is
labeled as ‘OP’. The variable that will reach the specified value is set as the ‘PV’. This variable is known as the
‘Target Variable’ or 'Process Variable'. For this case, the temperature of the LTS feed stream will be the manip-
ulated variable, while the temperature of the ‘Dewpoint T Check’ stream will be the target variable.
The temperature of the LTS feed stream will be selected by using the dropdown menu for ‘OP’ and selecting
‘<New>’ in the controller form. Any variable that is desired that is not already located in a signal port must be
selected using ‘<New>’. This will bring up the following menu.
Select ‘To LTS’ as the connected unit operation and the signal type as T. This will create a temperature signal
port in the ‘To LTS’ stream that will be connected to the controller.
The target variable will be set as ‘PV’. Repeat the process to set OP to set the temperature of ‘Dewpoint T
Check’. This will make sure that the dewpoint of this stream meets specification.
Placing a value in ‘SP’ will set the desired value of ‘Dewpoint T Check’.
The last set of variables that must be set are the OP minimum/maximum and step size. The maximum tem-
perature will be set at 100F, the minimum temperature at –100F and the step size as 10F. The minimum and
maximum values are the highest and lowest values that the solution algorithm will allow the manipulated vari-
able to operate between. This allows a boundary to be set in which the solution must exist. For example, this
can prevent a negative flow rate from occurring. The step size is the maximum step size that will be used by the
solution algorithm. If the controller is having difficulties resolving, the step size should be decreased.
Notice how the temperature of the stream being fed to the LTS has now been changed to 11.0F from 10.0F.
Controllers and recycle ports can be set to be resolved in a specific order. Changing the solution order will
affect how fast the recycles and controllers solve when they are interacting with each other. At times, this can
cause the case to resolve quicker but it can also slow it down. To set the levels of the controllers and recycles,
open ‘Main Flowsheet Settings’ under ‘View’.
This opens a form that allows the level settings to be chosen. The higher number level will be solved first.
Alternatively, the current 'Flowsheet Settings' form can be opened by pressing the 'Open Flowsheet Form' but-
ton in the PFD tool bar.
Checking for hydrate formation
It is important to make sure that the LTS feed does not form a hydrate. To do this, a hydrate unit operation will
need to be created.
To connect ‘To LTS’ there must be a free Out port in ‘To LTS’. There is not currently a free port. To add an Out
port, the current Out port must be cloned. Cloning a port will allow the information in that port to be sent to
another unit operation. Note that this will cause the overall material balance to no longer apply to this case.
This is because when an Out port is created, there is twice as much material leaving a stream as is entering.
To clone the Out port of ‘To LTS’, open the stream and press the ‘Create Port’ button.
The type of port that should be created is an Out port. Switch the type to ‘Out’ and press clone.
By default the material stream will switch to 'Detailed View' when an In or Out port is cloned. This allows the
cloned port to be displayed in the 'Material' frame. It is possible to change the view for a specific material stream
in its 'Settings' tab.
Notice how the material balance no longer applies, as there are 342.34 lbmole/h entering the ‘To LTS’ stream
but 684.68 lbmole/h exiting. Even though the cloned port is visible in the stream’s form is not visible on the PFD.
To connect the cloned port to the hydrate unit operation, it must be done within the unit operation. Therefore,
open the hydrate form.
Once the cloned port is connected, the unit operation will calculate if a hydrate is formed at the current operation
conditions. Connect the cloned port using the ‘Connected Stream/Unit Op’ cell. Cloned ports have the same
name as their parent port, with a number appended to the end of it to represent the clone number that it is for
that port.
Whether a hydrate is formed or not is now calculated.
At these conditions a hydrate will not form until the temperature drops to –1.6F. If a hydrate does form, then
actions should be taken to remove the hydrate. Looking at the PFD, the connection can now be seen between
the hydrate unit operation and the LTS feed stream. This is indicated by the solid black line between the stream
and the hydrate unit operation.
Set unit operation
One more useful adjustment is to specify the pressure of the air cooler and glycol stream based on the pressure
of the inlet gas feed. This will allow the pressure to automatically be adjusted if the pressure of the feed is
changed.Adjusting the pressure of the air cooler is done using a ‘Set’ unit operation. A set allows a variable to
be specified based off of the value of another variable, a multiplier and an offset. Create a set by adding it to the
PFD. Open the set’s form.
The Set unit operation can solve for any missing variable. In this case however, the variable that is to be set is
‘Y’ and the variable that it is based on is ‘X’. These variables must have the same units, as the multiplier is a
dimensionless value. This means that the offset must also have the same units as X and Y. The multiplier and
offset can be specified manually or can be set based on a value located in a signal port in a unit operation or
stream.
For this case, the air cooler pressure’s at the In port will be ‘Y’, the feed pressure will be ‘X’, the multiplier will be
set at 1 and the offset will be the pressure drop across the air cooler.
The variables are set in the same way as they were for the controller. However, the pressure in the In port of
the cooler can not be selected, as it can not be sent to a signal port. The pressure of the stream entering the air
cooler should be selected instead. However, this will cause a consistency error with the specified pressure in
the air cooler if the inlet pressure were ever to change. Therefore, before specifying the set, remove the pres-
sure specification from the air cooler Out port.
The pressure of S5 entering the air cooler can now be selected using ‘<New>’ in the set drop down menu
again.
Selecting S5 and ‘New P’ will create a new pressure signal port in S5 and connect it to the set.
The same should be done for the inlet gas pressure. The multiplier must then be set to 1. This can be done
manually by setting ‘Value’ under the multiplier to 1.
The offset will now be set from the pressure drop across the air cooler. This signal port exists already, so it can
just be selected from the menu.
The set will now solve, with the pressure in the stream specified to be the same value as before. However, it is
now dependent on the inlet pressure, so that the recycle stream has the same pressure as the inlet.
On the PFD, it can be seen that the set is connected to each through signal streams.
Signal streams and ports
The pressure in the ethylene glycol stream does not need to be specified using a set, since it will be at the same
pressure as the inlet gas. It can be specified using signal ports and a signal stream. Each stream needs a sig-
nal port to be created in it. To do this, open the 'Inlet Gas' stream and press ‘Create Port’. Change the type to
‘SignalPort’ and the property to ‘P’.
Press ‘Create’. This will add a second pressure signal port to ‘Inlet Gas’.
Repeat this process for the ethylene glycol stream.
As with the air cooler, the pressure in the ethylene glycol stream is specified. This will create a consistency
error when the inlet pressure is changed. To fix this, remove the specified pressure in ‘EG’.
Add a signal stream from the PFD2 palette.
Opening the signal stream’s form, the connection to each created signal port can be formed using the ‘Con-
nection’ cells.
Notice that only signal ports that can have pressure values in them can be selected for the second connection.
The inlet pressure can now be changed and the ethylene glycol and recycle pressures will be effected accord-
ingly.
Another way that this pressure could be specified is by using the pressure setting in the mixer. The pressure set-
ting is currently ‘LowestPInOutlet’, which causes the outlet pressure to be the same as the lowest inlet
pressure. If the setting is changed to ‘AllPEqual’, the glycol stream’s pressure will be set through the mixer.
If this option is used, the pressure specification in the glycol feed stream must be removed, or else a consistency
error will occur.
Excel unit operation
Another useful piece of information is the liquid content in GPM of the inlet gas. The process design style can
depend on the liquid content of the gas. To calculate this value, an Excel unit operation can be created. Excel
unit operations allow calculations to be performed as per usual with Excel, except values from VMGSim can be
imported into Excel to perform these calculations.
The GPM calculations will be done by assuming that propane and above are recoverable and are used for the
calculations.
To start, add the Excel unit operation to the PFD. By default, the Excel spreadsheet is opened when the unit
operation is created. If the spreadsheet is not open, it can be viewed by pressing the ‘Show Spreadsheet’ but-
ton in the Excel unit operation.
Note that macros must be enabled in Excel for the Excel unit operation to be able to operate properly. For
information on how to do this, refer to the ‘Excel Unit Operation’ section in the manual.
To organize the Excel spreadsheet, open the ‘Excel unit op’ spreadsheet and enter the following titles.
To calculate the GPM for each component the mole fraction in the inlet gas is needed. Then the density of the
liquid in gal/lbmole should be found for each component. Multiplying the density by the mole fraction of the com-
ponent and then dividing that by 379.49scf/mol. This gives the value in gallons per standard cubic feet. To con-
vert this into GPM, multiply the gallons per standard cubic feet by 1000.
The mole fraction values from VMGSim must be transported into Excel to allow calculations to be done. To
start importing these values, open the inlet gas stream. Opening the mole node, the mole fraction of each com-
ponent can be seen. By right clicking on each fraction, the value can be chosen to be sent to Excel by selecting
‘Copy Connection’. Start with the propane mole fraction.
To send this value to Excel, go to the Excel spreadsheet and in the appropriate cell, right click and select ‘Paste
Connection’. Using the simple ‘Paste’ function will not send the value from VMGSim to Excel. The connection
must be created.
Looking at the spreadsheet tabs, there are three spreadsheets created with an Excel unit operation. The
‘Instructions’ spreadsheet provides instructions on how to use the Excel unit operation. The ‘unitop’ spread-
sheet is where values are imported and exported and calculations are performed. The ‘Connections’ spread-
sheet displays all values that are imported and exported from Excel.
As can be seen, the mole fraction of propane has now been sent to Excel.
Another way to import a value into Excel is to right click in Excel on the cell who’s value is desired and selecting
‘Import/Export Object’.
This will bring up the following form in VMGSim.
If the ‘Inlet Gas’ material stream is chosen, the fraction of the desired component can be chosen and then the
‘Import’ button can be pressed.
The rest of the mole fraction values can be imported at once. This is done by selecting all of the desired frac-
tions at once and right-clicking to select ‘Copy Connection’.
Returning to Excel, right-clicking on the first of the desired fractions that will be imported and selecting ‘Paste
Connection’ will add all of the copied connections.
All of the mole fractions in the feed stream are now present.
Now enter the liquid densities of each component as shown below.
The GPM value for each component can now be found using the calculation mentioned before as seen below.
The overall GPM is the summation of each individual value.
The total liquid content of the gas has been calculated.
Monitoring and Reporting Update

The methods used to analyze a case, such as case studies and summaries, are now going to be investigated.
First, when studying a case it is sometimes desired to view the values in different units than the ones currently
used. There are several pre-made unit sets that can be selected using the drop down menu in the top right
corner.
To view which units are present in each unit set, select ‘Units’ under ‘Tools’ in the main toolbar.
Selecting this will open the ‘Unit Sets’ form. In this form, the default unit sets can be seen. Also, new unit sets
can be created.
If a different unit set is needed, a new set needs to be created because the default unit sets can not be edited.
To create a new unit set, a default set must be used as a starting point. This case currently has the ‘Field’ unit
set as its active unit set. If the pressure is desired to be displayed in ‘atm’ instead of ‘psia’ the Field unit set
should be used as the starting set. Press the ‘New..’ button in the 'Unit Sets' frame to do this. This will bring up
the following form.
Select ‘Field’ and type the name for the new set as ‘Field Atm’.
Pressing ‘OK’ will add a new unit set.
Selecting the 'Pressure' row and then in the 'Field_Atm' select 'atm' in the drop down menu.
Once that is done, pressing ‘OK’ will prompt to ask if you want to install the unit set. Select ‘Yes’.
It is now possible to go to the top right hand corner and change the active unit set to 'Field_Atm'.
All of the pressure values in this case have now been changed to ‘atm’.
Also, hovering the mouse over a desired value displays a tool tip showing the value of the variable in multiple
units.
Adding another unit to the tool tip is straightforward. For example, if gal(US)/hr, is desired for volumetric flow,
right click on the 'Volume Flow' value and select 'Tooltip Configuration...'.
The 'Tooltip Configuration' form will show all the available units for the volumetric flow type.
Check the box next to the gal(US)/hr unit and click OK.
Now every time the mouse hovers over a variable of volumetric flow type the tool tip will display the value in gal
(US)/hr in addition to the default units .
Creating datasheets
Sometimes it is useful to display certain values on the PFD itself. This is done using datasheets. For this
example, we’ll display whether or not there is a hydrate formed in the LTS feed. To do this, right click on the
hydrate unit operation and select ‘Show DataSheet’.
That will open the datasheet configuration form.
Information present in any of the ports - signal, energy or material - can be displayed on a datasheet. Any inform-
ation on the right hand side in the "Selected Items" frame will be shown on the datasheet. To show whether a
hydrate is formed or not, make sure that ‘Hyd Is Formed’ is selected on the right hand side. Also, selecting ‘Hyd
Formation App T’ will display the temperature difference between the stream temperature and the hydrate form-
ation temperature. If a hydrate is not formed the approach temperature will be positive and if a hydrate is
formed, the approach temperature will be negative. Select both 'Hyd Formation T' and 'Hyd Formation App P'
and press the '<' arrow to remove them from the datasheet.
Pressing ‘OK’ will add this datasheet to the PFD.
The datasheet can be resized and moved around the PFD in the same way that a unit operation can. For a
hydrate, if the displayed value is 'False', a hydrate will not form. If the value is 'True', then a hydrate will form.
Alarm Monitor
Another way that the hydrate formation can be studied is by using an alarm monitor. The alarm monitor will be
set off if a variable leaves a range of values. Thus, it will be set off if the hydrate is formed. Selecting the ‘Object
Monitor’ button on the toolbar can open the alarm monitor form.
Alternatively, selecting 'Alarm Monitor' in the 'View' menu can also open the alarm monitor.
The alarm monitor form looks as follows. To create a monitor, press ‘Add Tag’.
The ‘Monitoring Variables Selection’ form will now be opened. Select ‘Hyd1’ as the unit operation and then the
signal port ‘Hyd Is Formed’.
This will add the hydrate formation variable to the alarm monitor.
By default, the minimum and maximum values that are set are large enough that almost any value will be kept
between them. For our case, we want the alarm to be set off if the hydrate formation value switches from 0 to 1.
Therefore, the maximum value should be set at 0. Once the value of either the maximum or minimum value has
been changed, pressing ‘Update Result’ will check to see if the current value falls within the appropriate range.
Case studies
Now that the case is set up as desired, a case study can be run to see the effect of changing one variable on
other variables. Any variable that has been specified can be changed in a case study. To see what variables
have been specified, open the ‘Specification Panel’. Using its button on the toolbar can open the specification
panel.
It can also be opened in the ‘View’ menu.
The specification panel shows any variable that has been specified in the entire case. The value of these spe-
cifications can be changed directly in the specification panel. Also, essentially any of these variables can be
used in a case study.
For our case study we will study the effect that changing the inlet pressure will have on the liquid condensate
flow rate, as well as the temperature of the LTS.
To start a case study, open the case study under ‘Tools’.
By default, there is already one case study present in the form, so there is no need to create a new one. Using
this case study, the independent variable, inlet pressure, can be specified. To do this, press the ‘Add’ button
next to the independent variable frame.
This will open the same navigation form that has been seen a few times already. Select the pressure of ‘Inlet
Gas’ as the independent variable and press ‘OK’. Make sure that the pressure in the In material port is selected,
because that is where the pressure is specified.
The range of pressures that will be studied and the number of case study points that will be created should now
be specified. The pressure will be studied from 50atm to 80atm and have 11 pressure points studied.
Now add the LTS feed temperature and the condensate flow rate as dependent variables.
Now that all of the variables have been added, pressing ‘Run’ will run the case study to get the necessary
values. Once it has been solved, opening the ‘Results’ tab shows the effects of changing the inlet pressure on
the two variables.
This information can also be seen graphically by opening the ‘Plot’ tab. To see the LTS temperature effect,
select the 'X' variable to be the inlet pressure and the 'Y' variable type to be temperature. If there were several
dependent variables that were temperature values, the desired variables could be chosen at this point. The
LTS temperature plot looks as below.
The condensate flow rate plot looks as follows.
We will now study how having two independent variables effects a case study. The mole flow of the ethylene
glycol feed stream will be changed and added as an independent variable. Since the glycol helps to lower the
formation temperature of hydrates in the process, reducing the flow rate of glycol could allow a hydrate to form.
To make sure that a hydrate isn’t formed, the hydrate approach temperature will be added as a dependent vari-
able.
This time an alternative method to add variables to the case study will be used. Leaving the Case Study form
open now open the EG material stream form. Leaving the Case Study form open enables additional options in
some right-click menus, right click on the Mass Flow cell and select the 'Add to Case Study: CaseStudy1'
option.
The 'Add Variable' form will open where you can decide if the variable is going to be an independent or depend-
ent variable in the case study. By default, if the selected variable is a specified value the current selection will be
to add it as an 'Independent Variable'.
Open the hydrate unit operation and right click on the 'Formation App T' variable and select the 'Add to Case
Study: CaseStudy1' option.
This time, since the 'Formation App T' is a calculated variable the 'Add Variable' form will select the 'Dependent
Variable' option by default.
After clicking 'OK' specify the Case Study form as shown below.
After running the case study, all of the values obtained are tabulated and shown in the ‘Results’ tab.
The most significant differences between a one independent variable case study and a two independent vari-
able case study are the different ways that the data can be plotted. There are 3 options: 1) a 2D plot 2) a dens-
ity plot and 3) a 3D plot. For the 2D plot, either the inlet pressure or glycol flow rate can be used as the x-axis
variable. The other variable will be plotted as a series, with the selected dependent variable on the y-axis.
Below are three separate 2D plots showing the different dependent variable display options.
Notice that for the hydrate approach temperature, at a glycol flow rate of 40 lb/h and an inlet pressure of 80 atm,
a hydrate will form as the approach temperature drops below 0.
The density plot shows the case study results in the form of a color-toned display. The shade of the color
defines the value of the dependent variable being studied. The color of the density plot can be changed, as well
as which independent variable is located on the x-axis.
The final plot type is the 3D plot. This plot displays the information in a 3D bar graph form. Yet again, the inde-
pendent variable that is displayed on the x-axis can be changed, as well as the dependent variable that is used.
The color and other display effects can also be changed.
To be able to see the effect that changing a variable would have without performing a case study, each point
can be changed manually in the specifications in the actual simulator. To change two specified variables it is
useful to turn off the solver. If the solver is on, the case will solve after changing each variable. When turned off,
the case will not solve until the solver is turned back on. To turn off the solver, press the stop light button in the
main toolbar.
When on, the light will be green. Conversely, when the solver is turned off, the light will be red.
The buttons to the right and the left of the solver hold button can also be helpful with solving a case. If the case
has reached a loop, which is not allowing the solver to solve, or is causing it to take a long period of time to
solve, the stop sign button can be pressed to stop the solver.
If the solver has been stopped and you wish to restart it, the red and green arrow button to the right of the
stoplight can be pressed to do this.
Summaries
There are many ways that the information present in the case can be displayed. One of these is done through
summaries. By opening ‘Reporting’ on the main toolbar, several options can be chosen.
Summary Set
A summary set can summarize the information present in any unit operation. Selecting ‘Summary Sets’ will
open the summary sets form.
To start a new summary set, press ‘Add’. This will open up a form that allows the desired unit operations that
will be summarized to be selected. Across the top of the form, the type of unit operation that will be summarized
can be selected.
If the material streams are selected, all of the material streams present in the project can be selected. By
default, all of the material streams are selected to be added to the summary. For this summary, only the inlet
streams, the outlet streams, and the recycle stream will be used. They can be selected using the buttons in the
middle. Place the inlet streams first, then the recycle stream and finally the outlet streams.
Pressing ‘OK’ will add the streams to the summary set.
By default, the summary variables are vapor fraction, temperature, pressure, mole flow and composition. To
change which variables are displayed press ‘Select Variables’.
Now select to add the viscosity to the summary set.
Now that all of the variables have been added, the units that each variable is displayed in can be changed. For
example, change the units for volumetric flow to gal(US)/hr. To do this, click on the unit for volumetric flow.
This will bring up a dropdown menu where any of the possible units can be selected.
The summary set will now look as follows.
Once this summary is created, it can be used in four different ways. It can be copied to the clipboard, exported
to Excel, exported to Word or simply be printed. Each of these options can be chosen in the upper right hand
corner of the summary set. If exported to Excel a display such as the one below will be created.
Material Balance Table

Another way that the information in a material stream can be displayed is by using a material balance table. To
add a material balance table, open the PFD and right click on the PFD background. Select, ‘Create New Mater-
ial Balance Table’.
This will open the following form, which allows the streams that will be included in the material balance table, as
well as which variables they will be displayed in, to be selected.
Select the streams and variables as below. The variables selected are the default variables that are selected
when the material balance table is created.
Pressing ‘OK’ will add the material balance table to the PFD. After resizing the PFD and the material balance
table, the flowsheet will look as below.
Right clicking on the material balance table, the information in the table can either be copied or sent to an Excel
file. Also, the information can be updated after changes are made to the case, as the material balance table
does not update automatically. This is done by right-clicking on the material balance table. The table can be
updated, or be updated and copied or updated and shown in Excel. When the table needs to be updated, the
frame around it will turn red.
Propane Loop Update
The cooling in the chiller can be represented by a propane refrigeration loop. This loop will be developed on a
separate flowsheet in a new project. Save the current project and start a new one.
Select the property package for this new project to be ‘APR for Natural Gas’ with propane being the only com-
ponent.
A simple refrigeration loop will be created using pure propane. The duty from the chiller in the main dew point
loop will be connected to the duty of the heater in the propane loop.
To start, create a material stream and specify the composition as 100% propane. Attach this stream to an air
cooler.
The air cooler will be a condenser, so the output vapor fraction will be 0. Also, the output temperature will be
110F. The pressure drop across the cooler is 5psi.
Connect the output from the air cooler to a valve. This valve will have the pressure on both sides of it specified
by the heater and the air cooler pressures. The output from the valve should be connected to a heater. The
heater will act as the cold side of a propane refrigeration loop.
The pressure drop across the heater is 0.2psi with an output vapor fraction and temperature of 1 and 0F
respectively.
The last unit operation for the refrigeration loop is a compressor. It will be placed between the heater and the
air cooler.
The adiabatic efficiency of the compressor is 75%.
This loop will be solved once the duty is connected to the heater. All of the intensive variables are known, so
one extensive variable will solve the propane loop.
To connect the duties, save this file as PropaneLoop.vmp.
Then reopen the original dew point gas plant file.
Once this file is reopened, the propane loop must be imported into the main process flowsheet. To do this,
select ‘Import’ under ‘File’.
Select ‘PropaneLoop.vmp’.
The propane refrigeration loop is now present in a separate flowsheet attached to the main flowsheet. Notice
how there are now multiple tabs at the bottom of the PFD, one for each flowsheet. The flowsheets can be selec-
ted and used by choosing its tab.
Looking at the main flowsheet, the propane loop can be seen on the PFD.
Returning to the propane refrigeration loop using the propane loop tab, open the heater form. Opening the con-
nection tab for the signal ports, the connection can be formed between the chiller and the heater. The chiller
duty can be found using ‘<Browse>’.
The main flowsheet information can be seen by pressing the "/" at the top of the navigation form, with any
energy ports present in a sub-flowsheet shown following the main flowsheet energy ports. Select the "/" to
select the chiller from the main flowsheet and choose the OutQ of the chiller.
This creates the cross-flowsheet connection of the energy streams. This connection can be seen when viewing
the PFD for the propane loop.
This connection can also be seen in the main flowsheet.
Opening the thermodynamic model form, it can be seen that there are multiple property packages added to the
project now that the propane loop has been imported: one for the main process and one for the refrigeration
loop. These different property packages exist because there are different components present in each loop.
Opening the nodes for each property package can show which property package is connected to which project.
Since there are different property packages, when material streams are used, these different property pack-
ages could conflict. To get around this, a cross connector can be used. The cross connector allows two intens-
ive properties and the composition to be transferred between the two different flowsheets with the different
property packages. For a signal or energy port, a cross connector is not needed because these values do not
depend on the property packages used.
Phase Envelope Update

One last update will be made to this case. A phase envelope unit operation can be created and attached to the
condensate product stream. This will allow the phase envelope for this stream to be seen.
Add the ‘Phase Envelope’ unit operation to the Out port of the ‘Condensate’ stream.
Opening the phase envelope and selecting the ‘Table’ tab, the phase envelope for the condensate composition
can be seen.
If the phase envelope is desired to be displayed in a different way, it can be plotted in Excel. To do this, ‘Show
Object Data’ will be used. Open the Excel spreadsheet that was used previously for the GPM calculation.
Right clicking on a cell to the right of the previous calculations, select ‘Show Object Data’.
‘Show Object Data’ is not the same as importing or exporting an object. Information that is placed into Excel
using ‘Show Object Data’ is not automatically updated as a case resolves. For example, if a recycle is present,
after each iteration loop is solved, imported data will update for each loop once its connected data is changed,
while show object data information does not update until the entire case is resolved. Therefore, it is not very
effective to use ‘Show Object Data’ information for calculations.
This will bring up the following form that will allow any created object to be selected.
In this form, select the phase envelope, Env1. This will open the following form, which shows all of the inform-
ation that can be sent to Excel. All of the information present in ports – material, energy or signal – can be selec-
ted in this form.
To plot the phase envelope in Excel, select ‘Profile’.
Pressing ‘OK’ will connect the profile information with Excel. If ‘OK’ is pressed at any time all information
present on that form will be added to Excel. All of the information used to produce the phase envelope is now
shown in Excel.
This information can now be used to create a plot in Excel, as plots are normally created, with temperature on
the x-axis and pressure on the y-axis.
Property Package
Basic Property Package Skills
No matter how complex or how simple your simulation is, the quality of the results will depend on the quality of
the underlining thermodynamic methods used to estimate the state of ports as well as the methods used to
estimate transport and physical properties such as densities and viscosities.
A property package is an aggregation of methods that define how thermodynamic equilibrium (and consequent
number of phases and phase amounts) and physical properties of interest are to be calculated. VMGSim uses
the VMGThermo property package system to power all of its thermodynamic calculations.
Consult the VMGThermo manual for detailed descriptions on all property packages available in VMGSim. If you
are unsure about how to best use the available property packages for your specific applications contact the
VMG office nearest to you.
One important concept to keep in mind is that no property package will be able to solve all problems of interest.
In a nutshell, available thermodynamic models are too simplistic to solve all problems. Therefore, property pack-
ages are implemented in such a way as to solve classes of problems. For certain classes of problems we can
craft specialized equations of state or activity coefficient methods, and thanks to careful and extensive fitting of
experimental data reliable thermodynamic models can be created.
VMGThermo has some of the most extensive and well documented thermodynamic model interaction para-
meter libraries in the world. Virtual Materials Group is a sponsor of the Thermodynamics Research Center at
the National Institute of Standards and Technology in Boulder, Colorado. Therefore we have the most up-to-
date and comprehensive data collection in the world.
Consult us for any specific needs you may have related to physical properties and applied thermodynamics.
A property package, no matter how sophisticated it is, is kind of useless without a robust multiphase flash
algorithm. VMGSim uses the industry proven VMGThermo multiphase flash for all thermodynamic equilibrium
calculations.
From a certain point of view, a property package is a collection of equations that describe the behavior of
nature, and a property package system such as VMGThermo contains a multiphase flash to solve the ther-
modynamic equilibrium calculations and carefully orchestrate the solution and calculation of required physical
properties.
Since VMGSim is completely interactive and it tries to use all information supplied by the user, the flash system
also has to be very flexible and capable to accept many different specifications of intensive variables, such as
pressure, temperature, enthalpy, etc.
Choosing Property Packages

Property packages can be broadly divided into three groups based on the way fugacity calculations are per-
formed. After you understand how property packages are classified then you can look at them from your own
mixture and process perspective and choose an appropriate property package.
From a process modeling point of view property packages can be divided in the following categories:
• Equations of State
• Activity Coefficient Models
• Specialty Packages
Property Package Model Types

The basic problem we face when creating thermodynamic models for process simulation is how to determine
the thermodynamic state of a fluid. In another words, given two intensive variables (let’s say pressure and tem-
perature) and a bulk composition, how many phases and what are their compositions and amounts exist in ther-
modynamic equilibrium.
Thermodynamic equilibrium is a very useful boundary condition. In a nutshell, phases are said to be at ther-
modynamic equilibrium if their pressures, temperatures and chemical potentials are the same. The equality of
pressure and temperature across the phases guarantee that there’s no heat flow or mechanical work done by
the system. The equality of chemical potentials amongst all components in all phases ensures that there’s no
mass transfer across the phases.
Thus a system at thermodynamic equilibrium represents an abstraction where all the transformations that we
would like to have made on a fluid are made and no macroscopic changes are happening. For example, dis-
tillation tower trays and separators approximate a state of thermodynamic equilibrium.
Systems that are NOT at equilibrium are systems that experience changes with time.
The facet of chemical engineering thermodynamics that’s of greatest interest for us is the framework used to
express the equality of chemical potentials for all components across all phases. This is conveniently done
using fugacities as shown in equation 1.
1
The quantity f is the fugacity, the index “i” represents a component in the mixture and the superscript in Roman
numbers represent the phase of interest. For example, I could represent a vapor, II a liquid and so on. Finally
“np” stands for number of phases. Note that equation 1 is applied to all components in the mixture.
Equations of State Models
Equations of state models start from equation 1 and use pressure-temperature-volume-composition rela-
tionships anchored by rigid thermodynamic relationships to create expressions for the fugacity of individual com-
ponents. These relationships are usually expressed in terms of a fugacity coefficient and equation 2 is the
workhorse for equations of state models.
2
Equations of state are widely used for hydrocarbon processing.
Equations of State Models

Ideal Areas
l Simple and fast, pure component and mixture parameters easily generalized for hydrocarbons
l Consistent across the mixture critical point
l High and low pressure sections of a plant can be modeled using a consistent model.
l Good results for certain classes of problems (e.g. natural gas modeling, refinery modeling)
l Can be used with minimal amount of experimental data
l Can provide other derived physical properties in a consistent manner such as densities, entropies, enthal-
pies and heat capacities.
Drawback Areas
l By default are not accurate enough for modeling polar compounds (more advanced equations of state
such as GE-PR can nevertheless be used for the modeling of polar systems).
l Usually default liquid density predictions are not accurate enough for process design work. More
advanced equations of state such as Advanced_Peng-Robinson have methods designed to correct this
inaccuracy.
l Need critical properties and acentric factor for pure components.
l Require good experimentally based interaction parameter database and special generalizations for spe-
cial classes of compounds such as hydrocarbon/hydrocarbon, hydrocarbon/light gases, hydro-
carbon/water, etc.
l Pure component vapor pressures, unless specially fitted, are estimated using critical properties and
acentric factor. This can be inaccurate for heavy oils and polar compounds.
Avoidable Areas
l Unless heavily modified they can not be used out of the box for calculations related to environmental prob-
lems. Usually equations of state are tuned to provide a good estimate of water in the hydrocarbon phase,
but the amount of hydrocarbon in the water phase is usually poorly predicted.
l Sometimes they may predict incorrect phase split.
l Good liquid densities are obtained by using volume translation. Sometimes in extreme conditions neg-
ative liquid volumes can be calculated.
l Some implementations in the literature are plagued by discontinuities, inconsistencies and sometimes
plain mistakes. Love and tender care are required to move what’s published to what is of sufficient quality
for industrial use.
l Most improvements reported over the last decade in cubic equations of state are truly marginal.
Activity Coefficient Models

Activity coefficient models start from equation 1 but instead of using a consistent model for the vapor and liquid
phases the problem is split into having a model for the vapor phase and a separate model for the liquid phase.
This approach buys flexibility at the expense of consistency, and for many years it was the method of choice for
the modeling of aqueous, polar systems.
3
The term f0 is the standard state fugacity of a component “i” at the system pressure and temperature. Although
it is possible to develop a comprehensive framework using equation 3, the use of activity coefficients for the
vapor phase is not aesthetically pleasant and usually equation 3 is cast into its more familiar form, equation 4.
The superscript is used to denote a vapor phase.
In turn, the activity coefficient can be expressed as in equation 5, and the standard state fugacity can be
expressed as in equation 6.
6
One common snag with the use of equations of 5 and 6 is related to light gases. Usually these gases are
present in a system at a temperature well beyond their critical temperatures and therefore the use of a vapor
pressure Pv is not appropriate. In these cases it is common to express the fugacity of these compounds in liquid
phases by the use of a Henry constant as shown in equation 7.
7
Activity coefficient models are commonly used for the modeling of systems where the liquid phase non-idealities
are important, such as aqueous systems.
Ideal Areas
l Activity coefficient models can be quite flexible and able to fit complicated VLE and LLE behavior
l Coupled with a virial equation of state they can be used to model associating systems such as systems
containing formic and acetic acid.
l Pure component vapor pressure accuracy is limited only by the accuracy of experimental data and fitting
function.
l VMGThermo has extensive libraries of fitted interaction parameters for many systems of interest.
l First approximations for activity coefficient values can be determined using UNIFAC.
Drawback Areas
l Property packages using activity coefficients can not be consistent across the critical point.
l Sometimes temperature dependent interaction parameters are required, and those may extrapolate
poorly.
l Only excess enthalpies and Gibbs free energies can be derived from the model. A separate enthalpy,
entropy and heat capacity models are required, as well as a separated model for the density.
Avoidable Areas
l If no interaction parameters are available some methods default to ideal solution (Margules, van Laar,
NRTL) while others have a leftover part coming from pure component molecular parameters (Wilson,
TK-Wilson, UNIQUAC). Thus without interaction parameters no qualitative predictions are available.
Sometimes simple cubic equations of state will still provide a qualitative correct picture of thermodynamic
equilibrium even without interaction parameters.
l Some activity coefficient models can not predict the existence of multiple liquid phases such as Wilson.
Specialty Property Packages

Specialty property packages are used to model specific processes for which the general framework provided by
activity coefficient and equation of state models is not adequate. Usually specialty property packages are
designed to solve specific processes, some of which have chemical reactions happening throughout, such as
urea, sour water, sulfuric acid and amine processes. Please consult the VMGThermo for detailed information
on specialty property packages.
Rough screening of property packages

The figure below is a suggestion on how to choose property packages. Since property packages are based on
empirical and semi-empirical methods and your system and system conditions can vary significantly from the
conditions and systems used to create a given property package it is recommended that you carefully examine
the answers from the simulation. In doubt contact the Virtual Materials Group representative closest to you.
Adding a Property Package in VMGSim

The following tutorial will describe the fundamental functionality and concepts of creating and configuring prop-
erty packages in VMGSim.

When a new VMGSim case is started the property package selection window may or may not be configured to
appear by default. If the following form is not seen when a new case is started, click the button in the toolbar
to open the property package selection form.
Selecting a thermodynamic model is the first step in creating a property package. The thermodynamic model
pull down menu is used to do this. For this example select the Advanced Peng Robinson thermodynamic
model.
Adding/Editing Compounds
Once the thermodynamic model is selected, click on the Components tab. This is where compounds associated
with a property package are added/edited.
Searching For Pure Compounds

Pure compounds can be searched for in several ways:
By Compound Name, methane.
By Alias, C1
By Chemical Formula, ch4
By CAS number
Note that the CASN check box must be checked off to enable this option.
Adding Pure Compounds

Once a pure compound is found (using any of the methods) it can be selected to be added to the property pack-
age by either pressing enter twice (to select the compound and to add it to the selected compound list) or by left
clicking on the desired compound and then clicking the Add Selected button.
The form will appear as shown below after pressing enter once or after selecting the desired compound.
After pressing enter a second time or clicking the Add Selected button, the compound will be moved to Selected
Compound list.
Note the <New> to the left of the compound, this indicates that the compound has not yet been added to the
property package.
Adding more than one compound at a time

It is possible to add more than one compound at a time by using a ; to create a list of compounds that can be
added as a group. We will add Ethane, Propane, iso-Butane, n-Butane, iso-Pentane, n-Pentane and n-Hexane
using the ; and the alias for each compound. We begin the list by typing c2;
Continue adding to the compound list making sure to leave a ; after each one.
Notice that the compounds are available to be added to the selected compound list. The compounds can be
added in the same way as single compounds, either by pressing the Enter button twice or by selecting the com-
pounds using a left mouse click and then clicking the Add Selected button.
Note the <New> to the left of the newly added compounds; this indicates that these compounds have not yet
been added to the property package.
Creating a Property Package

At this point the property package has not actually been created. There are several ways that this is indicated:
The Status Bar of the property package selection form,
the Kij and Oil buttons as well as the Hypothetical Compound tab are grayed out also indicates the property
package has not yet been created.
This means that the interaction parameter matrix can not be view and that a hypothetical compound can not be
created until a property package is created.
To create the property package click the Apply button. You will notice the status message will change and the
Kij and Oil Buttons as well as the Hypothetical Compound tab will become available.
Note that clicking the OK button will both create the property package and bring up the flowsheet environment.
Import/Export a Property Package

Import and export of property packages can be done by using the Export and Import buttons.
Export
Saves a thermodynamic case including property package definition, components, oil and kij. The Export button
is enabled once a Property Package is applied.
Import
Recalls a thermodynamic case including property package definition, components, oil and kij. The Import can
be used to replace the current thermodynamic case or to create a new one in the property packages list.
The extension of the thermo files is .vth. These files contain the definition of a property package with all the
selected components.
Adding a Hypothetical Compound

A hypothetical compound can be added now that the property package is created. The minimum amount of
information required to create a hypothetical compound is either a normal boiling point or a molecular weight
and liquid density. In what follows a normal boiling point will be used as the basis for creating a hypothetical the
procedure would be the same if you were to use a molecular weight and liquid density.
Click on the Hypothetical Compound Tab ensure the Create blank radio button is selected.
Click the Add New Hypo button; this will cause a Specify Hypo form to appear. Begin specifying the Hypo by
inputting a name, in this case C6+.
You can add a Chemical Formula to your Hypothetical Compound, the recommended manner to introduce the
formula is by typing only the elements (using upper case for the first letter of the element) and the number of
atoms accompanying each element.
For example if you want to add the following formula: Al2(OH)3, you should type: Al2(OH)3 or Al2O3H3.
You can also type formulas with fractional number of atoms, for example if you want to add the following oil
pseudo component: C3.5H10.25N2.5e-2S1.3e-3, then type C3.5H10.25N 2.5E-02S1.3E-03. Avoid typing
spaces or special characters inside the formula.
Now navigate to the Basic Properties frame and enter a normal boiling point of 240 F.
Note that if additional information for the hypothetical compound is available it could be entered at this point. For
example, if the liquid density at a specific temperature is available for the compound, then this information can
be added in the Liquid Density and Liquid Density Temperature boxes respectively.
To be able to add a hypothetical compound, there are two different sets of minimum specifications that are
needed. At the minimum, either the normal boiling point or the molecular weight and the liquid density are
needed to create a hypothetical compound.
A hypothetical compound can also be created by providing the chemical formula in the correct form and the
liquid density. The molecular weight is calculated from the chemical formula.
If the Chemical Family is not provided, then it is set to the default family which is "Oils". Hypothetical compounds
with special chemical families would need only one physical property to be defined.
If the Chemical Family is "Inert Solids", then only the specification of the molecular weight is enough to create
the Hypothetical compound.
If the Chemical Family is" Resin Petroleum Fractions" or "Asphaltene Petroleum Fractions", then only the
molecular weight or the liquid density would be enough to create the Hypothetical Compound.
Click OK to add the C6+ hypothetical compound to the Selected Compound list.
Note the <New> to the right of the C6+ this indicates that it has not yet been added to the property package.
Click the Apply button to add C6+ to the property package.
This will cause the C6+ hypo to be added to the property package. To view the property information estimated
for the hypothetical double click C6+*.
Note that a hypothetical component will have a * appended to its name and by default a random CAS number,
based on its name and chemical family, will be assigned to it.
Look at the basic properties frame to examine the properties determined by the property package.
The Other Properties tab contains information about some other physical properties available in the property
package. It will also show a property called "Physical Properties Estimation Methods" which will define the
group of estimation methods used for the hypothetical compound physical properties. If "VMG_2012" is selec-
ted, the physical properties of hypothetical compounds with chemical families named as "Oils" will be estimated
with the same default methods as the oil pseudo components from the Oil Characterization environment of
VMGSim. The "VMG_2013" option contains the same estimation methods as "VMG_2012", except for the
vapor pressure calculations that have been improved. Solids physical properties estimation has also been
improved and selecting "VMG_2014" will trigger these new calculations. "Selecting "VMG_2011" will reset the
oils hypothetical compounds estimation methods to those employed before VMGSim version 7.0.
The following table shows the estimation methods which are different in “VMG_2011”, “VMG_2012”, “VMG_
2013” and “VMG_2014”.
Physical Properties VMG_2011 VMG_2012 VMG_2013 VMG_2014

Estimation Methods
Molecular Weight Twu Hariu-Sage Hariu-Sage Hariu-Sage
Critical Temperature Lee-Kesler Twu Twu Twu
Critical Pressure Lee-Kesler Twu Twu Twu
Critical Volume API Twu Twu Twu
Liquid Viscosity Letsou-Stiel API-VMG API-VMG API-VMG
Liquid Surface Tension Brock-Bird API API API
Heat of Combustion Estimated from Paraffin data API API API
Vapor Pressure Antoine Antoine Improved Improved
Antoine Antoine
Solid Physical Properties Based on MW Based on MW Based on MW Riazi
To read about the different estimation methods shown in the previous table, please refer to the Characterizing
and Installing Oils in VMGSim section of this manual.
The Report tab shows a summary of the different physical property estimation methods that were employed for
the definition of the hypothetical compound. The estimation methods are internally selected by VMGSim based
on the compound family type and the provided physical properties.
Editing a Hypothetical Compound

A hypothetical compound can be edited in the same form, all the changes will be saved when the OK button is
pressed. Press cancel to abandon the modifications.
Modify the normal boiling point from the original 240 F to 230 F.
Click the OK button, this will cause a <Modified> text to appear to the right of the C6+* compound, this indicates
the input values of the hypothetical have changed.
Click the Apply button in order for the changes to the C6+* hypo to take effect.
Viewing/Editing the Kij matrix

The interaction parameters and source from which they were obtained for the current slate of compound for the
selected thermodynamic model can be Viewed/Edited by clicking the Kij button.
The initial view will display interaction parameters for the selected binary pair. This will include the source data
or method from which the interaction parameters were regressed/estimated.
Note that the binary pair being examined can be changed by using the Compound I and Compound J pull down
menus.
Interaction parameters for the selected binary pairs can also be modified using this view. For example modify
the Kij0 value for the methane/n-hexane binary pair from the database value of 0.04220 to 0.04230.
Any modifications to the interaction parameters will be kept track of in the modification tab. For example the
change that was just made will be kept track of.
Note that at anytime you can reset the all values modified to those contained in the database by pressing the
Reset Button.
Press the Reset button to return the Kij Matrix to the database values. Select the SeaSt-
dAdvPengRobinson.kij0 Tab to view the entire matrix of interaction parameters for all of the compounds con-
tained in the property package.
Note that interaction parameters values can also be modified using the SeaStdAdvPengRobinson.kij0 Tab.
Press OK to return to the main Property Package management form.
Press the OK Button to move to the main flowsheet where you can begin using the property package.
Note that the property package can be edited (change thermodynamic model, add/remove compounds etc) at
anytime by pressing the button in the toolbar to open the property package management form.
Adding a Material Stream and performing a flash

If Visio is installed on the computer the screen should look similar to the following.
Add a material stream to the main flow sheet by dragging it from the stencil and dropping it on the drawing
page.
First move the cursor over top of the material stream, and click and hold the left mouse button.
Still holding the left mouse button move the cursor to the desired position on the drawing page.
Release the left mouse button to create the material stream, this will be indicated by the by the color of the icon
changing from black arrow to a dashed yellow arrow.
Double click on the material stream icon to open the form when information can be entered/viewed.
We will begin specifying the material stream by entering the composition information. Click in the Methane mole
fraction value and type 0.85. As soon as you begin typing the following from will appear.
Enter the following mole fractions.
Click the OK button.

Now enter a temperature of 70 F and a pressure of 800 psia. With these two intensive properties and the com-
positions specified there is enough information for the stream to flash.
At this point you can examine the bulk properties of the stream by expanding the Properties node.
It is also possible to view the properties of the individual phase of the stream by selecting the Equilibrium Res-
ults tab.
Note that if a flow rate for the stream was entered the extensive properties would have been calculated.
Adding and Viewing a Phase Envelope

The Envelope unit operation will calculate the phase envelope for the material stream that it is connected to.
Add a Envelope operation to the flow sheet by dragging and dropping it onto the flowsheet.
Now connect the stream S1 to the Envelope by selecting S1 and dragging the arrowhead to the left hand side
of the Envelope.
Once connected the Envelope operation will calculate a phase envelope. This can be viewed by double clicking
on the Envelope icon to open it’s form.
The Ports tab will provide a small summary of values determined by the Envelope operation such as the Cricon-
dotherm and Cricondobar temperatures and pressures.
The Controls tab provides a summary of the information used to calculate the phase envelope and also
provides a means to Add/Edit the conditions at which the phase envelope is calculated via the Add/Edit button.
A plot of the phase envelope can be viewed by clicking on the Table tab.
Note that the current temperature and pressure of the material stream connected to the envelope is also plotted
on the phase envelope.
Tabular data of the phase envelope can also be viewed by selecting the Table radio button.
Property Package Settings

This tab contains advanced configuration options that affect different aspects of the thermodynamic and phys-
ical property calculations. These options are not meant to be modified often and should rather be used in spe-
cific situations.
Some of the settings are divided between the Steady State and Dynamics engine. This provides the user with
the flexibility of adjusting the thermodynamic calculations in a “per engine” basis.
The Main view in the thermodynamics Settings tab is shown below.
Settings
Active Settings (Flash Settings)
This option allows different settings to be used for fluid phase flashes within a flow sheet; some simulation mod-
els might required further adjusting and extra flash setting options available include:
Default
This setting provides the best balance between speed and accuracy.
Fast
This flash setting increases the speed of flashes completed within the flow sheet with the balance of lost accur-
acy. Simulations with solubility considerations of anything below parts per million should not use this setting.
Rigorous
In some cases spawning of primary or secondary liquid phases is difficult to detect within the flash routines
without additional stability checks. This flash setting initiates more stability checks within the flash routine bring-
ing the downside that times for flash convergence are increased and therefore slow down overall calculations.
An example of the rigorous flash correcting for an unstable region can be seen below.
Heavy Oil
This setting is useful when components with very high molecular weight ( > 1000) are involved in the cal-
culations; however, times for flash convergence are increased.
Water - Oil Residue

The objective of this setting is to solve problems similar to refinery situations where steam is mixed with heavy
oil for transportation/heating purposes and the water vapor phase is not found consistently. The "Rigorous" set-
ting will solve most of these cases; however, the damping factor and stability checks associated with the rig-
orous flash setting will slow down the flowsheet significantly.
User Defined
If the available flash settings do not resolve problems being encountered in a case this setting can be cus-
tomized through VMG support to use more rigorous stability checks, or tighten internal flash tolerances.
Description (Flash Settings)

A short description of the flash setting selected is provided here.
Exergy Ref. T (Physical Property Estimation)

This is the reference temperature for exergy property calculations in the flow sheet.
Exergy Ref. P (Physical Property Estimation)

This is the reference pressure for exergy property calculations in the flow sheet.
Bulk Mixing Methods
Bulk Viscosity Method

This property defines the methodology (blend rule) to estimate a bulk viscosity when there is more than one
phase present.
Default
Uses a generic power law mixing rule with exponential parameter of param = 0.25
Power Mixing
Uses a generic power law mixing rule with exponential parameter (param) defined in the variable "Power for
Viscosity".
Volume Mixing
Uses a generic mixing rule based on molar volume as described below,
Einstein, Extended Einstein, Richardson and Woelflin

These are useful equations to model bulk viscosities and may be helpful for predicting viscosities of emulsions.
The estimation of “effective” transport properties for multiphase mixtures is a complicated endeavor due to the
influence of flow patterns on the actual “effective” transport property value.
When we have a mixture containing two immiscible liquids we define an “effective” viscosity by assuming that
we have a continuous phase that corresponds to the liquid phase present in the largest amount and a dispersed
phase that corresponds to the liquid phase present in the smallest amount. The effective viscosity of the two
liquid mixture is then given by,
where,
eff = effective viscosity
c = continuous phase
r = disperse phase
Models for the viscosity of the dispersed phase have started with Einstein where he modeled a dilute system of
dispersed particles in his Brownian movement papers and have the generic form,
where ,
φ = volume fraction of dispersed phase
Einstein
Uses the equation,
Extended Einstein
This model come from Guth and Simha (Urdahl et al, 1997) designed to take into account interactions between
particles in the dispersed phase as well as model larger concentrations of dispersed phase,
Richardson
The Richardson (Urdahl et al, 1997) model has an empirical adjustable parameter that can be used to minimize
the error between model predictions and experimental results
k = Adjustable parameter defined in the variable "Richardson K Parameter"
Woelflin
The Woelflin (1942) model was developed to reproduce viscosities of crude oil emulsions.
If the volume fraction of oil is greater than 1/3 then it uses,
If the volume fraction of oil is less than 1/3 then it uses,
Continuity of bulk phase viscosity prediction

Due to the change in continuous phase depending on the value of φ around 0.5, a very simplistic linear smooth-
ing function is used in the Einstein, Extended Einstein and Richardson models. The Woelflin model is imple-
mented as prescribed by the author and no smoothing function is used.
The smoothing function is applied when the dispersed phase has a volume fraction greater than 0.4 and linearly
interpolates between a liquid 1 in liquid 2 and liquid 2 in liquid 1 phases computed with a phase fraction of 0.4 of
liquid 1 and 0.4 of liquid 2 respectively.
Handling of solids dispersed in liquids

In the event that solids are present in the mixture, they are assumed to be dispersed in a bulk liquid phase and
the contribution to the viscosity due to the presence of solids is given by Einstein’s model. The continuous phase
viscosity is now assumed to be the effective viscosity of the liquid-liquid emulsion computed using any of the
methods described above.
Handling of vapors
In the event a vapor phase exists, the viscosity of the liquid phases and eventual solid phase are calculated as
described above and the vapor phase viscosity is then combined with the effective viscosity of the multiple
liquids and solid phases using the standard viscosity mixing rule.
Power for Visc. Method

Parameter used in the Bulk Viscosity Method when using Power Mixing.
Richardson K Parameter
k parameter used in Bulk Viscosity Method when using Richardson.
Bulk Th. Cond. Method

This property defines the methodology (blend rule) to estimate a bulk thermal conductivity when there is more
than one phase present.
Default
Uses a generic mass mixing rule,
Mass Mixing
Uses a generic mass mixing rule (same as Default)
Volume Mixing
Uses a generic mixing rule based on molar volume as described below,
Gambill
The thermal conductivity of two liquid phase mixtures is modeled using Gambill’s (1959) model
where,
κ = Thermal conductivity
γ = Specific gravity
Bulk Speed of Sound Method

This property defines the methodology (blend rule) to estimate a bulk speed of sound when there is more than
one phase present.
Default
The property is calculated from the property package using the current object's pressure, temperature, com-
position and by assuming liquid phase
From dP/dV
Uses the equation,
which is the same as the rigorous calculation in a per phase basis.
Max of Phases
Reports the maximum value from all the phases.
Liq & Vap Property Methods
User Configurable Properties

The properties described below can be adjusted to allow for a specific property estimation method to be used. If
one of these properties are not selected, the default method for each property is used.
Interfacial Surface Tension Method

This property defines the method used to estimate the interfacial surface tension.
API
This method estimates the surface tension using Procedure 10A3.2, "Alternate Computer Method for Surface
Tension of Petroleum Fractions". It is dependent on the temperature, critical temperature and Watson K factor.
Brock-Bird
Brock and Bird (1955) developed a corresponding states based model for surface tension for non-polar liquids.
It is based off of the critical properties (Tc, Pc and Vc) of the components.
Hakim
Hakim, et al. (1971) developed a corresponding states based model for surface tension that adjusted for polar
liquids. Using work done by Halm and Stiel (1967) they were able to use the Stiel factor for polar components to
extend their surface tension work to polar liquids.
IAPS
This method estimates the interfacial surface tension using the International Association for the Properties of
Water and Steam (IAPWS) formulation from 1997 (IAPWS-IF97).
Liquid Thermal Conductivity Method

This property defines the method used to estimate the thermal conductivity for the liquid phase.
Chung
The Chung model for liquid thermal conductivity is based off of Chung et al's (1984) work on high pressure
thermal conductivity. It makes use of their work on low pressure viscosity and is an update of their low pressure
thermal conductivity work to extend it to high pressure and density thermal conductivities.
IAPS
This method estimates the liquid thermal conductivity using the International Association for the Properties of
Li
Li's method for liquid thermal conductivity is a mixing rule. The pure component liquid viscosities are calculated
based on the Sato-Riedel method. Li then calculates a multicomponent thermal conductivity based on a har-
monic calculation using the superficial volume fraction for each component.
Sato-Riedel
The Sato-Riedel method calculates the liquid thermal conductivity based on the boiling point, critical tem-
perature and the molecular weight of the component.
TRAPP
The implementation of the TRAPP (transport property prediction) method is based off of work done by Huber
and Hanley (1996). It is used to calculate the vapor and liquid thermal conductivity.
Vredeveld
Vredeveld's method is a liquid thermal conductivity mixing rule. It uses the Sato-Riedel thermal conductivity and
a power law mixing rule using the weight fraction of the mixture.
Vapor Thermal Conductivity Method

This property defines the method used to estimate the thermal conductivity for the vapor phase.
Chung
The Chung model for vapor thermal conductivity is based off of Chung et al's (1984) work on low pressure
thermal conductivity. It makes use of their work on low pressure viscosity. The molecular weight, Chung vis-
cosity, and heat capacity all effect the calculated thermal conductivity.
IAPS
This method estimates the vapor thermal conductivity using the International Association for the Properties of
TRAPP
and Hanley (1996). It is used to calculate the vapor and liquid thermal conductivity..
Liquid Viscosity Method

This property defines the method used to estimate the viscosity for the liquid phase.
API
This method estimates the liquid viscosity using Procedure 11A4.1, "Liquid Viscosity of Petroleum Fractions at
100 F and 210 F and Atmospheric Pressure". The liquid viscosity is calculated at 100 F and 210 F based off of
the API procedure and then is fit to give the viscosity at the necessary temperature.
IAPS
This method estimates the liquid viscosity using the International Association for the Properties of Water and
Steam (IAPWS) formulation from 1997 (IAPWS-IF97).
TRAPP
Twu
The Twu method for liquid viscosity is based on perturbation theory using n-alkanes as a reference system.
This correlation was developed using normal boiling points up to 988 K and specific gravities up to 1.436 using
actual and estimated data. This allows it to calculate kinematic viscosities of n-paraffins from C1 to C100 and
kinematic viscosities of pure components and oils.
Expanded Fluid
This viscosity correlation was developed by Marco Satyro and Harvey Yarranton and calculates the viscosity of
light hydrocarbons, conventional crude oil, heavy oils and their mixtures as a function of temperature and pres-
sure; it can also be extended to natural gas processing applications.
Vapor Viscosity Method

This property defines the method used to estimate the viscosity for the vapor phase.
IAPS
This method estimates the vapor viscosity using the International Association for the Properties of Water and
Steam (IAPWS) formulation from 1997 (IAPWS-IF97).
TRAPP
Expanded Fluid
This viscosity correlation was developed by Marco Satyro and Harvey Yarranton and calculates the viscosity of
light hydrocarbons, conventional crude oil, heavy oils and their mixtures as a function of temperature and pres-
sure; it can also be extended to natural gas processing applications.
Liquid Thermal Method

This property defines the method used to estimate the thermal properties for the liquid phase. This calculates
the enthalpy, entropy, Cp and Cv using the defined method.
Advanced Peng Robinson

This method estimates the liquid phase thermal properties using the same methods found in the Advanced
Peng Robinson property package.
Lee Kesler
This method calculates the liquid thermal properties using the Lee-Kesler method. The Lee-Kesler method is
based on the idea that deviations from the behavior of a system represented by a reference substance can be
correlated using a parameter. Several parameters have been used in the past but one of the most useful is the
Pitzer acentric factor.
NRTL
This method estimates the liquid phase thermal properties using the same methods found in the NRTL property
package.
Vapor Thermal Method

This property defines the method used to estimate the thermal properties for the vapor phase. This calculates
the enthalpy, entropy, Cp and Cv using the defined method.

This method estimates the vapor phase thermal properties using the same methods found in the Advanced
Hayden O'Connell
This method estimates the vapor phase thermal properties using the Hayden-O’Connell equation of state in con-
junction with activity coefficient models. Since it is a second virial coefficient based equation of state only gas
phase physical properties can be calculated using this method.
Ideal Gas
The Ideal Gas method calculates the vapor thermal properties based on the ideal gas law.
Lee Kesler
This method calculates the vapor thermal properties using the Lee-Kesler method. The Lee-Kesler method is
NRTL
This method estimates the vapor phase thermal properties using the same methods found in the NRTL prop-
erty package.
Liquid Volumetric Method

This property defines the method used to estimate the volume for the liquid phase.

This method estimates the liquid phase volumetric properties using the same methods found in the Advanced
API
This method estimates the liquid molar volume using Procedure 6A3.4, "Computer Method for the Liquid Dens-
ities of Compressed Hydrocarbon Mixtures of Defined Composition". This is calculated based on the tem-
perature, normal boiling point, and specific gravity.
COSTALD
The COSTALD method calculates the liquid density based on work by Hankinson and THomson (1979). It is
temperature dependent and calculated based on the critical temperature of the components.
Lee Kesler
This method calculates the liquid volume properties using the Lee-Kesler method. The Lee-Kesler method is
NRTL
The method estimates the liquid volume based on the Non Random Two Liquids (NRTL) equation to model the
liquid phase activity coefficients.
Rackett
This method estimates the liquid volume based on the work done by Rackett (1970) and is a method developed
to calculate the saturated volumes based on critical properties and a Rackett Z-factor. This method has been
recently improved when calculations involve pressures above the saturation point.
Vapor Volumetric Method

This property defines the method used to estimate the volume for the vapor phase.

This method estimates the vapor phase volumetric properties using the same methods found in the Advanced
Hayden O'Connell
This method estimates the vapor volume using the Hayden-O’Connell equation of state in conjunction with activ-
ity coefficient models. Since it is a second virial coefficient based equation of state only gas phase physical prop-
erties can be calculated using this method.
Ideal Gas
The Ideal Gas method calculates the vapor volume based on the ideal gas law.
Lee Kesler
This method calculates the vapor volume properties using the Lee-Kesler method. The Lee-Kesler method is
NRTL
The method estimates vapor volume based on the Non Random Two Liquids (NRTL) equation to model the
liquid phase activity coefficients. The vapor phase is assumed ideal.
Steady State & Dynamics
Use Steam 95 in Phys Props

This option is only used when the Advanced Peng Robinson (APR) property package is selected. When
enabled, the APR property package uses steam tables to estimate transport properties for water (e.g. viscosity
and thermal conductivity). These values are accurate but slow down the speed of calculations. When disabled,
APR reverts to the TRAPP methodology as in APR for Natural Gas to calculate transport properties for water.
Use Steam 97 in Phys Props

This option is only used when the Advanced Peng Robinson (APR) property package is selected. When
enabled, the APR property package uses steam tables to estimate transport properties for water (e.g. viscosity
and thermal conductivity). When disabled, APR reverts to the TRAPP methodology as in APR for Natural Gas
to calculate transport properties for water. When both "Use Steam 95 in Phys Props" and "Use Steam 97 in
Phys Props" are enabled, Steam 97 will be used.
H Rxn Method (Amines)

This option is only used when the Amines property package is selected. This variable selects the source used to
calculate the heat of reaction and solution of H2S and CO2 with Amines.
The options are:
Standard. This option uses heats of solution and reaction from different sources like, “Gas Purification”, 2nd
Edition by Kohl, Arthur & Riesenfeld, Fred (1974); Jou, Otto and Mather, Canadian J C E, 1985.
Gas Purif 5th Ed.This option uses values published in the book “Gas Purification”, 5th Edition by Kohl, Arthur
& Nielsen, Richard (1997).
Use Temperature Dependant Volume Translation

Makes the volume translation term in the equation of state temperature dependant.
Activate Hydrate Tuning

Toggle to allow for the displaying of the coefficients used for the tuning of hydrate calculations. These coef-
ficients are shown in the Kij form as interaction parameters.
Hydrocarbon Interaction Parameters Version

There are two different versions of interaction parameter models used in APR, APRNG 2 and other Peng
Robinson derived property packages.
Version 3.0
A further enhancement of version 2.0, version 3.0 provides better estimation for ethylene glycol, triethylene
glycol and ethane with hydrocarbons.
Version 2.0
Starting in version 10.0 a new model for these interaction parameters was developed and is labelled as version
2.0. Version 2.0 was designed to provide accurate phase composition, as well as phase appearance, across a
large range of hydrocarbons, specifically designed to improve behaviour in heavier hydrocarbons. It also
included enhance generalization for hydrocarbons with hydrogen and carbon monoxide.
Version 1.0
The interaction parameters used in VMGSim 9.5 and previous.
Phase Management (Steady State Settings)

The Phase Management view in the thermodynamics Settings tab is shown below,
Liq Order
The method for ordering the liquid phases in the equilibrium results. Note that this is not the same criteria as the
criteria to order the phases in a separator in steady state. The only exception to this rule is the CO2 Freezing
property package in which the CO2 solid phase is always placed in the second liquid slot.
The Standard method always places a single liquid in the first liquid slot. If more than one liquid exists, they are
ordered by mass density.
HydrocarbonAqueous looks at the water content for a single liquid phase. If the water mole fraction is above
0.5, the liquid will be placed in the second liquid slot, and otherwise it will be placed in the first liquid slot. If two
liquids exist, they will be ordered by water content. If the water content is not sufficient to order the phases, they
will be ordered by mass density.
SingleProp allows ordering based on a single physical property. If only one liquid phase is present, it will always
be in the first liquid slot.
LiqOrder Prop Name

If SingleProp is selected for Liq Order, a property must be selected. Select one of (IsothermalCompressibility,
Compressibility(Z-Factor), MassDensity). The phase with the largest IsothermalCompressibility or Com-
pressibility, or the smallest MassDensity will be the first liquid phase
Phase ID
This selects the method used to identify phases as vapor or liquid. Four options are provided for phase labeling:
Default
This option uses multiple criteria, principally the isothermal compressibility, to determine the phase type. The
equivalent weighting of properties for this default option is provided below in tabular form in the Weighted Prop
option description.
Note that when using the Standard method, phase identification may switch for a single phase fluid as the pres-
sure changes. For example, using the Standard method, pure Methane at 25 C is identified as a vapor up to
about 20.4 MPa, and a liquid above that.
Single Prop
This option allows the user to define the switching value for a single physical property. It is provided for back-
ward compatibility with earlier versions only. New cases should use the Weighted Prop option instead.
Legacy
This corresponds to the old Poling’s approach used in earlier versions. . It is provided for backward compatibility
with earlier versions only.
Weighted Prop
This option replaces the Single Prop in earlier versions. It allows the users to define their own weight and switch-
ing values for individual properties.
Note that if x0 =xs = x1, the switching from vapor to liquid is abrupt. If the weight is zero, the physical property is
ignored. Thus setting one non-zero weight with its x0 =xs = x1 reduces to the single prop approach used in
earlier versions.
This weighted property approach uses the following limited set of properties:
Z-factor, Mass density, Isothermal compressibility, Viscosity, Molecular weight, Molar volume
For each property a switching threshold (x0,x1), a switching value (xs), and a weighting are defined. A char-
acteristic value is then assigned where -1 equals definite vapor and 1 equals definite liquid. For example, using
Z,
Z values Physical Interpretation Characteristic Value

Z < x0 Definitely liquid 1
x0 < Z < xs Transition from liquid to vapor but it liquid like Between 1 and 0
xs < Z < x1 Transition from liquid to vapor but it vapor like Between 0 and -1
x1 < Z Definitely vapor -1
For all properties x0 <xs<x1. The characteristic values from each properties are then averaged with the
assigned weight to calculated the total value. A phase is labeled vapor if the total value is negative and liquid oth-
erwise, irrespective of the physical magnitude of the value.
Straight line interpolation is used during transition from x0 to xs and xs to x1.
The new internal defaults are as follows:
Item Unit x0 xs x1 Weight

Z-factor 0.1 0.3 0.8 0.4
Mass Density kg/m3 100 400 900 0.2
Legacy Approach 0.4
Viscosity Pa-s 0.0
Molecular Weight 0.0
Molar Volume m3/kmol 0.0
The legacy Approach in the above table represents the default Poling’s method in earlier version. Setting its
weight to 1 and the weights of all other items to zero reduces back to the legacy approach in earlier versions.
User Interface
A new property weighting table will appear within the Phase Management tab when the Weighted Prop option
is selected. The values for phase identification criteria can be entered and managed here. An example view of
this table once exposed is shown below.
Phase Management (Dynamic Settings)
Vap Order
Based on the identification criterion, more than one phase may be identified as a vapor. There can be only one
vapor phase in the simulator, so the candidates must be ranked, and the best candidate selected. The simulator
can use its internal method (Standard), or a particular property can be selected (SingleProp)
Vap ID Prop Name

If SingleProp is selected for Vap Order, a property must be selected. Select one of (IsothermalCompressibility,
pressibility, or the smallest MassDensity will be the vapor phase.
Liq Order
The method for ordering the liquid phases.
The Standard method always places a single liquid in the first liquid slot. If two liquids exist, there are heuristics
based both on composition and mass density.
HydrocarbonAqueous looks at the water content for a single liquid phase. If the water mole fraction is above
0.5, the liquid will be placed in the second liquid slot, and otherwise it will be placed in the first liquid slot. If two
liquids exist, they will be ordered by water content. If the water content is not sufficient to order the phases, they
will be ordered by mass density.
SingleProp allows ordering based on a single physical property. If only one liquid phase is present, it will always
be in the first liquid slot.
LiqOrder Prop Name

If SingleProp is selected for Liq Order, a property must be selected. Select one of (IsothermalCompressibility,
pressibility, or the smallest MassDensity will be the first liquid phase.
Phase ID
This selects the method used to identify phases as vapor or liquid.
The default in dynamics is SingleProp/Compressibility/0.35. This means that any phase with a compressibility
factor (Z-factor) of greater than 0.35 will be identified as a vapor, and any phase with Z<0.35 will be identified as
a liquid.
The alternative selection is Standard, which uses multiple criteria, principally the isothermal compressibility, to
determine the phase type.
Using the Standard method, phase identification may switch for a single phase fluid as the pressure changes.
For example, using the Standard method, pure Methane at 25 C is identified as a vapor up to about 20.4 MPa,
and a liquid above that. Phase identification impacts level calculations in separators and other equipment.
Phase ID Prop Name / Value

If SingleProp is selected for Phase ID, the user can select one of (IsothermalCompressibility, Compressibility
(Z-Factor), MassDensity) as a criterion for identifying phases. If the IsothermalCompressibility or Com-
pressibility is greater than the user supplied value, or if the MassDensity is less than the user specified value,
the phase will be vapor, and otherwise it will be liquid.
Thermodynamic Models
Equations of State
Advanced_Peng-Robinson (APR)
The Advanced Peng-Robinson model has all the characteristics of the Peng-Robinson model plus volume
translation for accurate liquid phase density estimation using the Peneloux (1980) idea as modified by Mathias
et al. (1991). It deals with polar components that are seen in these areas in a more appropriate way than the
Peng Robinson (PR) equation of state does. It also has a large set of interaction parameters for temperature
dependent situations, as well as volume translation to improve liquid density calculations.
Advanced Peng Robinson for Natural Gas 2

Advanced Peng Robinson for Natural Gas 2 (APRNG 2) is an advancement of the Advanced Peng Robinson
for Natural Gas property package. Building upon the work done for the original APRNG, APRNG 2 provides
enhanced mutual solubilities and continuity for the same systems that APRNG was designed for: water content
in hydrocarbons and acid gas, hydrate inhibition and glycols.
Advanced Peng Robinson for Natural Gas

Much like the APR property package, the Advanced Peng Robinson for Natural Gas (APRNG) modifies the ori-
ginal Peng Robinson equation of state. It is more specialized than the APR property package. The APR for Nat-
ural Gas package is best suited for the solubility of hydrocarbons in water, as well as mercury. The APRNG
package is specifically designed for calculating water content in acid gas, hydrate inhibition, glycols and hydro-
carbon solubility. It is also good with polar components, which is similar to the APR property package.
Benedict-Webb-Rubin and Benedict-Webb-Rubin-Starling (BWR and

BWRS)
One of the oldest equations of state used in technical calculations, the BWR equation of state was originally
developed to fix problems encountered in the older Beattie_Bridgeman equation of state around the critical
point. This was accomplished by adding an exponential term to the equation which effective captures the resid-
uals one would have from a purely virial based equation of state as BB. There are very many versions of BWR
and VMGSim uses the form defined by Starling. We use Starling’s formulation since it was extensively tested
for natural gas mixtures. BWRS is an extension to BWR where the BWR parameters were generalized as func-
tions of the acentric factor, thus allowing the equation to be used for components for which experimentally
determined parameters are not available. Avoid using BWR and BWRS for aqueous systems.
Gibbs Excess Peng-Robinson (GEPR)

GEPR is Virtual Materials Group's implementation of Huron-Vidal mixing rules. The PR equation of state is
modified to use the Mathias-Copeman approach to model pure component vapor pressures. The Gibbs excess
model used in GEPR is NRTL and the model is a powerful and flexible framework to model complex chemical
systems. GEPR is an advantageous model to use when dealing with polar systems which are processed at
high and low pressures since a consistent model can be created. GEPR also uses volume translation for
increased accuracy on liquid density predictions.
HaydenOConnell
The Hayden-O’Connell equation of state is used ONLY in conjunction with activity coefficient models. Since it is
a second virial coefficient based equation of state only gas phase physical properties are calculated. Use Hay-
denOConnell with an activity coefficient method when modeling dimerizing systems such as systems containing
acetic acid. The Hayden-O’Connell model will also estimate implicit enthalpies, entropies and dimerization heat
capacities.
NGL-PR
NGL-PR is Virtual Materials Group's implementation of the Peng-Robinson equation of state as specified by
the GPA. NGL-PR also implements the necessary pure component physical property estimation methods and
default interaction parameters for Peng-Robinson as specified in the GPA research reports. NGL-PR also uses
volume translation to increase the accuracy of liquid density predictions. Volume translation is NOT specified by
the GPA’s research reports.
PRSK
The predictive SRK model combines the predictive capabilities of the UNIFAC activity coefficient estimation
method with the flexibility and convenience of a cubic equation of state. PSRK matches the UNIFAC model
with the equation of state model at low pressure and therefore the large UNIFAC atomic group interaction para-
meter matrix can be reused. PRSK also defines a series of new atomic groups for light gases such as nitrogen
and methane. Virtual Materials Group's implementation also includes volume translation for increased accuracy
in the prediction of liquid phase densities.
Redlich-Kwong (RK)
The RK equation of state is included in VMGThermo to provide compatibility with other property packages. Usu-
ally RK is used in combination with activity coefficients to provide a model for the gas phase. RK is also the
vapor phase model used in the Chao-Seader and Grayson-Streed correlations.
Refinery-SRK
Refinery-SRK is Virtual Materials Group's implementation of the SRK equation of state as specified in the API
handbook. This implementation of SRK handles hydrogen and helium, and it uses a slightly different acentric
factor generalization as compared to Soave’s original work. Interaction parameters are implemented as spe-
cified in the API manual.
SARA Regular Solution
SARA Regular Solution is designed specifically to support SARA (saturates, aromatics, resins, asphaltenes)
characterization and asphaltene washing using hydrocarbon solvents. The SARA Regular Solution property
package allows for more accurate modeling of asphaltene precipitation processes through the estimation of
asphaltene yield, asphaltene precipitation onset and asphaltene physical properties.
In order to make use of this new package in VMGSim a SARA characterization of the oil is needed. Depending
on the information available, the saturates, aromatics, resins and asphaltenes will all be characterized sep-
arately either as hypothetical compounds or through the oil characterization environment. Commonly, the
saturates and aromatics will be characterized as hypothetical components and the resins and asphaltenes will
be characterized using the Gamma Characterization in the oil characterization environment. When the resins
and asphaltenes are characterized the appropriate chemical families are assigned to the pseudo-components
and the appropriate physical properties for pure components and mixtures are automatically calculated.
Steam95
The steam package is Virtual Materials Group's implementation of the 1995 standard for water and steam.
Steam97
The steam package is Virtual Materials Group's implementation of the 1997 standard for water and steam.
Soave-Redlich-Kwong (SRK)
SRK is a standard implementation of the SRK equation of state. Liquid densities from SRK are not reliable.
Unless you need to use a standard SRK for some special reason please consider using Refinery-SRK.
For detailed description of property packages please consult the VMGThermo Methods manual.
If you are developing solutions based on VMGThermo you may also find the VMGThermo Programmer’s
manual useful.
Activity Coefficient Methods

Ideal
Assume that all activity coefficients are equal to zero. Gas phase is assumed ideal.
Chao-Seader
Use the Chao-Seader method for the calculation of gas and liquid fugacity coefficients. RK is used for the gas
phase and regular solution is used for the liquid phase together with a specially fitted function for hydrocarbons
standard state fugacity. Water decantation is provided, and a pure water phase is assumed while water sat-
urated hydrocarbon phase is calculated when appropriate. Unless needed, the Grayson-Streed method should
be used instead of Chao-Seader.
Grayson-Streed
Use the Grayson-Streed method for the calculation of gas and liquid fugacity coefficients. RK is used for the gas
phase and regular solution is used for the liquid phase together with a specially fitted function for hydrocarbons
standard state fugacity. Water decantation is provided, and a pure water phase is assumed while water sat-
urated hydrocarbon phase is calculated when appropriate. The method also provides better estimates of hydro-
gen and hydrogen sulfide solubilities in hydrocarbons than Chao-Seader.
Margules
Use the Margules three suffix activity coefficient equation to model the liquid phase activity coefficients. Gas
phase is assumed ideal.
Margules4
Use the Margules four suffix activity coefficient equation to model the liquid phase activity coefficients. Gas
NRTL
Use the Non Random Two Liquids (NRTL) equation to model the liquid phase activity coefficients. Gas phase is
assumed ideal by default, but will be set to Virial if you choose Associating System from the property package
selection menu.
UNIFAC
Use the UNIFAC atomic group contribution method to model the liquid phase activity coefficients. Gas phase is
assumed ideal.
UNIQUAC
Use the Universal Quasi Chemical Activity Coefficient theory to model the liquid phase activity coefficients. Gas
Van Laar
Use the Monsanto definition of van Laar as described in the open literature to model the liquid phase activity
coefficients. Gas phase is assumed ideal.
Wilson
Use the Wilson activity coefficient equation to model the liquid phase activity coefficients. Note that this property
package can not predict the existence of two or more liquid phases. Gas phase is assumed ideal.
For detailed description of property packages please consult the VMGThermo Methods manual.
If you are developing solutions based on VMGThermo you may also find the VMGThermo Programmer’s
manual useful.
Specialty Models
VMGRefProp
VMGRefProp is the implentation of the data provided by NIST's TRC (National Institute of Standards and Tech-
nology's Thermodynamics Research Center) in their RefProp program. It allows for the same combinations
allowed for in RefProp to be used in VMGSim.
Note that a VMGRefProp license is required to use VMGRefProp.
Mixtures in RefProp
In RefProp there are a number of pre-defined mixtures. These are not accessible in VMGSim, but the mixture
of base components can be used in VMGSim RefProp to successfully represent the pre-defined mixture.The
composition of these mixtures are listed below. Note that all mixtures are defined in mass fraction with the
exception of Air, which is defined in mole fraction.
Mixture Components Mass Fraction

Air Nitrogen 0.7812 (mole)
Oxygen 0.2096 (mole)
Argon 0.0092 (mole)
R401A R22 0.53
R124 0.34
R152a 0.13
R401B R22 0.61
R124 0.28
R152a 0.11
R401C R22 0.33
R124 0.52
R152a 0.15
R402A R125 0.60
R22 0.38
Propane 0.02
R402B R125 0.38
R22 0.60
Propane 0.02
R403A R218 0.20
R22 0.75
Propane 0.05
R403B R218 0.39
R22 0.56
Propane 0.05
R404A R125 0.44
R134a 0.04
R143a 0.52
R405A R22 0.450

R152a 0.070
R142b 0.055
RC318 0.425
R406A R22 0.55
R142b 0.41
Isobutane 0.04
R407A R32 0.20
R125 0.40
R134a 0.40
R407B R32 0.10
R125 0.70
R134a 0.20
R407C R32 0.23
R125 0.25
R134a 0.52
R407D R32 0.15
R125 0.15
R134a 0.70
R407E R32 0.25
R125 0.15
R134a 0.60
R408A R125 0.07
R143a 0.46
R22 0.47
R409A R22 0.60
R124 0.25
R142b 0.15
R409B R22 0.65
R124 0.25
R142b 0.10
R410A R32 0.50
R125 0.50
R410B R32 0.45
R125 0.55
R411A R22 0.875
R152a 0.110
Propylene 0.015
R411B R22 0.94
R152a 0.03
Propylene 0.03
R412A R22 0.70
R218 0.05
R142b 0.25
R413A R134a 0.88

R218 0.09
Isobutane 0.03
R414A R22 0.510
R124 0.285
R142b 0.040
Isobutane 0.165
R414B R22 0.500
R124 0.390
R142b 0.015
Isobutane 0.095
R415A R22 0.82
R152a 0.18
R415B R22 0.25
R152a 0.75
R416A R134a 0.590
R124 0.395
Butane 0.015
R417A R134a 0.500
R125 0.466
Butane 0.034
R418A R22 0.015
R152a 0.960
Propane 0.025
R419A R125 0.77
R134a 0.19
Dimethylether 0.04
R420A R134a 0.88
R142b 0.12
R421A R125 0.58
R134a 0.42
R421B R125 0.85
R134a 0.15
R422A R125 0.851
R134a 0.115
Isobutane 0.034
R422B R125 0.55
R134a 0.42
Isobutane 0.03
R422C R125 0.82
R134a 0.15
Isobutane 0.03
R422D R125 0.651
R134a 0.315
Isobutane 0.034
R423A R134a 0.525

R227ea 0.475
R424A R125 0.505
R134a 0.470
Isobutane 0.009
Butane 0.010
Isopentane 0.006
R425A R32 0.185
R134a 0.695
R227ea 0.120
R426A R125 0.051
R134a 0.930
Butane 0.013
Isobutane 0.006
R427A R32 0.15
R125 0.25
R143a 0.10
R134a 0.50
R428A R125 0.775
R143a 0.200
Propane 0.006
Isobutane 0.019
R429A R152a 0.1
Dimethylether 0.6
Isobutane 0.3
R430A R152a 0.76
Isobutane 0.24
R431A R152a 0.71
Propane 0.29
R432A Propylene 0.8
Dimethylether 0.2
R433A Propylene 0.3
Propane 0.7
R434A R125 0.632
R143a 0.180
R134a 0.160
Isobutane 0.028
R435A R152a 0.8
Dimethylether 0.2
R436A Propane 0.56
Isobutane 0.44
R436A Propane 0.52
Isobutane 0.48
R437A R125 0.195

R134a 0.785
Butane 0.014
Pentane 0.006
R438A R32 0.085
R125 0.450
R134a 0.442
Butane 0.017
Isopentane 0.006
R500 R12 0.738
R152a 0.262
R501 R22 0.75
R12 0.25
R502 R22 0.488
R115 0.512
R503 R23 0.401
R13 0.599
R504 R32 0.482
R115 0.518
R507A R125 0.5
R143a 0.5
R508A R23 0.39
R116 0.61
R508B R23 0.46
R116 0.54
R509A R22 0.44
R218 0.56
R510A Dimethylether 0.88
Isobutane 0.12
VMGRefProp GERG
VMGRefProp GERG in extension of the VMGRefProp property package to make use of the GERG-2008 equa-
tion of state (Kunz, O., Wagner, W.) as implemented in NIST's RefProp program.
Note that a VMGRefProp license is required to use VMGRefProp GERG.
Molecular Structure Builder

Molecular Structure Builder
General
The molecular builder feature should be used in situations where the molecular structure of a hypothetical com-
ponent is known, but the physical properties are not. To access this feature, click the Structure Builder button
within the hypothetical form view as shown below.
Structure Formula
This area will display the formula of the current structure. If any errors exist the formula will not be given.
Molecular Weight
This area will display the current molecular weight of the structure built by summing the molecular weight con-
tribution of each atom. This value will not be displayed if an error is encountered. This value will include hydro-
gen atoms necessary to fully saturate all atom valences.
Message Bar
This message bar informs users of any errors that are present within the current structure. The different mes-
sages that might be seen are:
Ready
This indicates that no structure is currently present.
OK
This indicates that the current structure is free of any errors.
Multiple fragments
This indicates that at least one of the atoms present in the structure is not connected to the main structure. For
this feature only one structure can be generated at once.
Valence Oversaturation
This indicates that the valence of the currently circled atom is oversaturated. In this case, at least one of the
associated atom’s bonds must be deleted.
Edit Mode
There are different edit modes available in this form that can be selected from the toggle list or from the right-
click mouse menu. The different modes and the behavior are listed below:
Connect Atoms
This mode allows the addition of atoms to the structure area and connection of atoms already present. If the
left-mouse button is dragged off one atom onto another existing atom, a bond will be created. Likewise, if the
mouse is dragged off an atom into blank space then a hydrogen atom will be automatically created for the con-
nection. If the mouse is left-clicked on any existing bond connection, then that bond will cycle through first to
third order.
Delete Atom/Bond
This mode allows deletion of current atoms, bonds, or text boxes. Deletion can also be completed in any mode
by moving the mouse cursor over an item and pressing the Delete key.
Move Atoms
This mode allows the user to left-click and drag items around on the structure view to rearrange as desired.
Add Text Box

This mode allows addition of text boxes. Once a text box is added it cannot be edited.
Group Type
Toggles allow the user to pick which quick creation group is available to be added to the structure view. The dif-
ferent groups and associated groups types are listed below:
Framework – Alkane, Alkene, Alkyne, and Arene.
Oxygen – Alcohol, Ether, and Ketone.
Carbon-Oxygen – Carboxylic Acid, Ester, and Acid Anhydride.
Nitrogen – Primary Amine, Secondary Amine, and Nitrile.
Nitrogen - Oxygen– Nitro and Primary Amide.
Halogen (using current custom atom) – Alkyl Halide and Acyl Halide.
Sulfur – Thiol, Thioether, and Sulfonic Acid.
Show Atom Label

This area toggles between showing and hiding the atom labels in the current structure view.
Custom Atom
This drop down list allows for the addition of any type of atom that might not be available in the default selection.
Specific group type structures will alter upon creation if they include a custom atom (i.e. the Halogen groups).
CML Structure Import/Export

These buttons allow are used to import or export of a Chemical Markup Language (CML) file. If the import fails
then nothing will be created in the structure view.
Note: Details on the CML structure can be found at:
http://www.xml-cml.org/
Atom Size
This scroll changes the atom size that is shown on the structure view. This does not affect any calculation res-
ults and is purely for configuration ease.
Once the structure has been created in the Structure Builder view, click the “OK” button to propagate all cal-
culated properties back into the hypothetical compound form.
Molecular Structure Builder Example

This example will show how the molecular structure builder can be used to generate unknown properties for a
hypothetical component. For this example an already known component, “n-propanol”, will be used so estim-
ated property results can be compared to actual values.
Create a new VMGSim. Enter the property package environment and press the “Apply” button to accept the
default property package selection. At this point hypothetical components can now be added.
Open a new hypothetical component form and enter the name of the hypothetical component being generated
as shown below.
At this point the normal boiling point can also be entered as shown below. This is the only property that will be
used to calculate other properties from the molecular structure built. If the normal boiling point is not given, it will
be one of the properties calculated.
Note: Any entered values will be replaced by the values calculated by the molecular structure builder.
Click the Structure Builder to enter the molecular structure builder form. Once in this form the structure can be
started by dragging one Alkane group onto the structure view. Once this is completed an extra Carbon atom
should also be added. At this point the window should look similar to the image below.
From the labels shown on the carbon atoms the number of hydrogen atoms required for full valence saturation
can also be determined. If the hydrogen atoms, or other atoms, are manually attached, the number of hydrogen
atoms in this label will decrease.
To attached the separate carbon atom in the structure view left-click on one of the carbon atoms of the alkane
group and drag the mouse on top of the separate carbon. Once the atom is highlighted, release the mouse but-
ton to add the connecting bond.
Change the Group Type selection to Oxygen once the propane chain is completed. Also add an alcohol and con-
nect it to the current structure’s end carbon.
Another way to complete the structure would have been to add an oxygen atom. This method would have also
automatically included an extra hydrogen atom to fully saturate the oxygen atom’s valence. Below is the res-
ulting view.
Click the OK and the information calculated by the Structure Builder will be propagated back into the hypo-
thetical form. For this example the calculated or generated properties include:
- UNIFAC structure
- Formula
- Molecular weight
- Critical temperature
- Critical pressure
- Critical volume
- Freezing point temperature
- Ideal gas enthalpy of formation @ 298 K
- Ideal gas Gibbs free energy of formation @ 298 K
- Ideal gas heat capacity coefficients A, B, C, and D
Note: The normal boiling point would have also been calculated if it was not provided for better overall property
estimation.
The resulting hypothetical forms basic property information including the new component can be seen below. In
addition to this, the pure n-propanol component is also shown for comparison.
Dynamic Modeling Using VMGSim

Dynamic Simulation Engine
The dynamic simulation engine has a number of important differences when compared to the steady state
engine:
l The steady state engine is solving for a single steady state point. The dynamic engine is solving for a
series of dynamic states. Each state is separated in time by the user selected stepsize.
l The steady state engine solves unit operations one at a time, and converges recycle streams. The dynam-
ics engine solves pressures and flows using a network (simultaneous) solver, and energy and com-
position balances on a per unit operation basis. Hence, all unit operations which are not ignored must
have a consistent set of pressure/flow specifications before the integrator can run.
Pressure-Flow Solver
To illustrate the how the pressure/flow solver works, we will use the sample flowsheet shown in the diagram
below.
If one views the pipes in the simplest terms possible, each pipe provides resistance to flow. The value of the res-
istance is determined by geometry such as length, diameter and roughness.
Each stream has both a pressure and a flow, giving 12 variables in total. Each pipe contributes a material bal-
ance equation, fin = fout, and a pressure drop equation Pin – Pout = g(fin). The mixer contributes a material bal-
ance equation, fin = fout1 + fout2, and two pressure balance equations, Pin = Pout1, and Pin = Pout2, since all the
pressures at the mixer must be the same. This gives a total of 9 equations, leaving 3 degrees of freedom. The
“best practice” set of specifications, would be to specify the boundary pressures – i.e. the pressures in S1, S4
and S6.
The actual internal model used by the simulator is much more complex, since the simulator must account for
accumulation terms in the pipes, multiple fluid phases, etc. However, from an analysis perspective, the sim-
plified view above yields the correct answer as to what specifications are required.
Best Practice Model

Types Of Unit Operations
Unit operations can be classified as one of four types:
l Nodes: these equipment items allow mixing, splitting or separating streams. They may have volume asso-
ciated with them. Examples of nodes would be: mixer, splitter, separator, CSTR.
l Resistances: these equipment items provide resistance to flow, and generally have a notion of an inlet
and an outlet. Examples of resistances would be: valve, relief valve, heater, cooler, pipe, PFR.
l Pumps: these equipment items are generally rotating machinery that add or remove pressure energy
from fluids. Examples would be pump, compressor, expander.
l Inert: These equipment items do not directly affect the pressure flow solution. Examples would be: PID
Controller, Phase Envelope.
Specifications Required
Nodes
Specify the node geometry – e.g. the vessel length/diameter/volume
Resistances
Specify the flow resistance. In the case of valves, resistance is specified by means of the valve Cv. For relief
valves, one specifies the orifice area. For most other kinds of equipment, one specifies a k constant, which has
units of area. The defining equation for k is
Pumps
Pumps require three specifications:
l A head specification. (This could be a fixed delta P or head, or it could be a head curve)
l An efficiency specification
l A speed specification
Pumps have an option to use “Simple Curves”. The user specifies a design point, and optionally the head at
zero flow, and the simulator creates a pump curve which will match the design point and follows fan laws. Use
of this feature rather than specifying a fixed value for head is highly recommended.
Boundary Pressures
Specify the pressure in all boundary streams – i.e. streams that are not connected at both ends. Note that to pre-
vent inconsistent specifications, boundary streams should be connected to resistance type unit operations –
most commonly a valve.
Exchanges
It is possible to select specifications other than the “best practice” set. For instance, when we first ran the illus-
tration case in dynamics, we had flow specifications, and all the boundary streams were connected to a node
type unit operation, rather than a resistance type.
If the flowsheet topology does not change, the number of degrees of freedom does not change. Hence if you
start from the best practice set of specifications, and wish to specify some other variable instead, you must
remove one specification for every specification that you add.
When VMGSim performs its pressure/flow spec analysis, it identifies any “best practice” specifications that are
missing, and also any specifications which are present which are not considered “best practice”. On the ana-
lysis view, the user can then choose to associate a non-best-practice specification with a missing best practice
specification. This is the principle of exchanges. Since the number of degrees of freedom remains the same, in
a correctly specified model, all non-best-practice specs should be able to be paired with a missing best-practice
spec.
Once the user has marked the spec pairs, VMGSim will stop emitting warning messages about those specs.
One can always show all of the spec pairs by selecting the show all checkbox on the analysis view.
Pitfalls With Alternate Specifications

There are many cases where alternate specifications will work satisfactorily. However there are some spe-
cifications or combinations of specifications which will cause inconsistencies, and a singular matrix – i.e. the
pressure flow solver will not be able to solve even if the number of specs is correct. Also, some specifications
may work well at one operating point, but may cause inconsistencies at a different operating point.
Some examples follow:
Valve With Flow Specification

If we have a valve with a Cv of 1, an upstream pressure of 15 psia, and a feed flow of 1 gal/min, the downstream
pressure will be 14 psia. If we increase the flow to 4 gal/min, the pressure drop must go to 16 psi, but this would
result in a downstream pressure of -1 psia, which is physically infeasible.
The same problem can occur with other resistance type unit operations such as heat exchangers or pipes.
Another way that pressure drop can become a problem is if the inlet phase fraction changes, since vapor flow
will typically cause a higher pressure drop than the equivalent liquid flow.
Fixed Pressure Drop

It may be convenient to specify a pressure drop for equipment, particularly if the design value is known.
However, flowrates may change. In particular, they may go to zero, or even reverse. The fixed pressure drop
will still apply. This can lead to physical inconsistencies, and may also lead to convergence failure in a network
situation.
Best Practice is to use the design pressure drop to calculate an equipment Cv or k constant.
Separator With Flow Specification

It is possible to operate a separator with one or more flow specifications in the feed/product streams. Be aware,
however, that the vessel pressure is a function of the inventory. If you have a fixed feed rate, and the discharge
valve shuts for any reason, the pressure will increase and eventually become physically unrealistic. Similarly, it
is possible by means of fixed flowrates to empty all of the inventory out of the separator which will result in the
pressure attempting to go negative.
Transitioning From Steady State To Dynamics

Illustration Case
The process of transitioning from steady state to dynamics will be illustrated using a very simple model, con-
sisting of a separator and associated streams.
Load The Sample Case

Load the case “Separators\Steady State Sep.vmp”. The case contains a single separator which is separating a
two-phase feed into a vapor and liquid product. The case has been saved using SI units, and the descriptions
that follow will use SI units.
Switch To Dynamics
Use the dropdown on the toolbar to switch to dynamics. When prompted, permit the dynamic model to be ini-
tialized from the steady state model.
Add A Liquid Flow Specification

Specify the liquid product rate (stream S3) to be 0 kg/h.
Add A Strip Chart

From the menu, select Dynamics | Historian. This will bring up a view which allows creation/viewing of strip
charts. By default one strip chart has already been created, but is empty. Change the update frequency to 5s,
and change the number of data points to 2000. Click “Show Strip Chart”.
Open the view for stream S1. Click on the cell for Mass Flow. Move the mouse cursor to the edge of the cell.
The cursor should change to indicate that drag and drop is available. Left click and drag the value to the
stripchart.
Repeat this for “S2 MassFlow” and “Sep1 Percent Level Liq 0”
Double click in the axis area. Re-scale the flow axis to 0-12000 kg/h, and change the percent axis color to red.
Set the span to 10000s.
Save the case as "Dyn Sep 1.vmp"
Run The Integrator

On the visio toolbar
press the button . This will bring up the flowsheet form:
Set the stop time to 4000s. Press the run button. When the simulation stops, you should have a stripchart that
looks like:
Notice the following:

l The liquid level in the separator is increasing
l Initially, the mass flowrate entering the separator is higher than the mass flowrate leaving.
l The liquid level then stabilizes
l The flows in and out match when the level is stable
At this point you have two phase flow in the overhead stream. (You can verify this by browsing the port/stream
view)
Since the point of the separator is to separate the vapor and liquid, we will need to make some changes to the
simulation
Add A Liquid Product Valve And Level Controller
Add a control valve to the flowsheet and connect stream S3 to the inlet of the valve. Connect a new stream (S4)
to the outlet of the valve. Remove the flow specification from S3, and add a pressure specification of 1 atm to
S4. Set the valve Cv to 100.
Add a controller to the flowsheet. Click the dropdown for PV, and select “Sep1.Percent Level%”. The click the
dropdown for OP, and select “V1.%Opening”. Specify the following values for the controller:
l SP: 50%
l OP: 50%
l Mode: Automatic
l Action: Direct
l Kc: 2.0
l Ti: 30 min
Set the integrator stop time to 8000s. Run the integrator. When the integrator stops, the liquid level should be
stable at 50%.
Add A Pressure Controller
Add a control valve to the flowsheet and connect S2 to the inlet of the valve. Connect a new stream (S5) to the
outlet. Remove the pressure specification from S1. Add a pressure specification of 1 atm to S5. Set the valve
Cv to 500.
Add S2 Pressure to the stripchart, and scale 0-400 kPa.
Add a controller to the flowsheet. Click the dropdown for PV and select <Browse…>. From the dialog box,
select S2 in the left column, and double click on the “P[kPa]” entry in the right hand column. Click the dropdown
for OP and select “V2.%Opening”. Specify the following values for the controller:
l SP: 150 kPa
l OP: 50%
l Mode: Automatic
l Action: Direct
l Kc: 2.0
l Ti: 1 min
l PV Range | PV Min/Max: 0-300 kPa
Set the integrator stop time to 10000s. Run the integrator. When the integrator stops, the pressure should be
stable at 150 kPa.
Add A Feed Flow Controller
Disconnect the feed stream, S1 from the separator. Add a valve, V3, and connect S1 to the inlet of the valve.
Connect the valve to the separator using a new stream (S6). Remove the flow specification from stream S1,
and specify the pressure at 200 kPa instead. Set the valve Cv to 500.
Add a controller to the flowsheet. Open the form for stream S1. Right-click in the Mass Flow cell, and select
“Copy Connection”. Then right-click in the PV cell on the controller form, and select “Paste Connection
/S1.In.MassFlow”. Click the dropdown for OP, and select “V3.%Opening”. Specify the following conditions for
the controller:
l SP: 10000 kg/h
l OP: 50%
l Mode: Automatic
l Action: Reverse
l Kc: 0.1
l Ti: 0.1 min
l PV Range Min/Max: 0-20000 kg/h
Save The case as "Dyn Sep 4.vmp"
Set the integrator stop time to 12000s. Run the integrator.The feed flow should stabilize at 10000 kg/h.
Features Highlighted By Illustration Case

The small example above has illustrated a number of important features of dynamic simulation:
l In steady state, unit operations solve as soon as they have enough information. In dynamics “solution”
takes place when you start the integrator.
l The number of degrees of freedom is different in dynamics, requiring extra specifications or constraints
l Flowrates in and out do not always match because of inventory in process equipment
l Fluid flow paths are determined by geometry, not by phase type
l It is possible to run dynamics models with the same specifications to those used in steady state.
However, these specifications generally do not constitute “best practice” for dynamics models, as will be
explained below.
l There is a “best practice” set of dynamics specifications which is guaranteed to always lead to a phys-
ically meaningful solution.
l Temperatures, pressures, flows and levels are typically regulated by control loops rather than being spe-
cified as fixed values
l Different kinds of control loops have different controller tunings for stable control. These differences arise
because of differences in the associated process dynamics.
l Stripcharts are a powerful way of viewing dynamic simulations and the underlying process behavior
l Most processes are inherently unstable, and without control, will drift until they hit a physical constraint
Dynamic Specification Analysis

The section above described the concept of “Best Practice Specifications”, and the principle of exchanges.
These rules have been incorporated into an expert system – the Dynamic Specification Analysis Assistant.
Example
The operation of the Assistant is best explained by means of an example. Assume that you have created the fol-
lowing simple flowsheet:
The Best Practice specifications would be S1 Pressure, S2 Pressure, and V1 Cv. The valve Cv is specified by
default. The Dynamic Specification Analysis can be accessed from the same forms that control the integrator:
the integrator form, the flowsheet form, and the flowsheet assistant form (if a flowsheet assistant was used to
create the simulation). For the example, we will use the integrator form:
Pressing the Specification Analysis button brings up the Dynamic Specification Analysis form:
Since no specifications have been made in the streams, the simulator shows the missing Best Practice Spe-
cifications. If we add the missing pressure specifications
And re-run the analysis by pressing the update analysis button, we get
And the integrator is able to run. Now, assume that we want to specify the delta P across the valve rather than
the downstream pressure. We add a delta P spec on the valve and re-do the analysis:
The valve dP is showing up as an extra specification because we still have both stream pressures specified. If
we remove the spec in S2 we get:
The simulator notes that we are missing a Best Practice specification, but that we have one other specification.
We can tell the simulator that that this is OK by pairing the two specifications: select the two specifications by
clicking on each, and then press the “Pair Specifications” button:
If, for instance, we were to also specify the feed flowrate (which would make the model overspecified), the sim-
ulator remembers the pairing and is able to provide more accurate diagnostics on the problem:
Form Description
Update Analysis
This button should be used to update the analysis if any changes to pressure flow specifications are made. The
analysis will automatically be updated if the integrator is started. The integrator will not run unless the correct
number of specifications are present and the specifications do not appear to overlap (which would cause a sin-
gular matrix).
Possible Problem Specifications

User Specified
These are specifications that the user has made that the simulator does not consider “Best Practice”
Simulator Recommended
These are “Best Practice” specifications that appear to be missing
Pair Specifications
Select exactly one specification from the User Specified column and one specification from the Simulator recom-
mended column Then press the Pair Specifications button to pair them – i.e. create an exchange.
Paired Specifications
This lists the specifications that have already been paired by the user.
Remove Spec Pairing

Select a spec in the left hand column, and press the button to remove a previously created spec pairing.
Specification Groups
In some cases when a specification is missing, there is more than one possible specification which can be
made. Since the simulator cannot determine which specification the user would prefer, it lists them all.
However, in order to maintain a one-to-one pairing, what the simulator shows in the right hand column is the
name of the specification group. If the group name is selected, an additional list is displayed with the names of
the specifications in the group. For example with the pump flowsheet shown:
The simulator has identified that the pump needs a head specification. However, this could be supplied by spe-
cifying the dP across the pump, the Head, the Polytropic Head, or by using simple curves, or by using actual
pump curves. The simulator cannot determine which spec the user intended, so it lists all possible specs in the
group, and the user should specify one of the items.
Dynamics – Model Initialization

Introduction
Dynamic models have a set of variables (State Variables) which describe the current state of the system. Unlike
steady state, these variables must always have values, even if the model has just been constructed, and the
integrator has never been run.
Initial values can be supplied in a number of ways:
l Initialize by typing in values
l Use the “Init From” field on streams and equipment holdup pages
l Initialize when switching from steady state to dynamics
l Initialize flowsheet from steady state solution (from simulation tree)
l Use Dynamics Initialization Manager to create initialization objects which can then be applied to new or
existing objects
Initialize by typing values

Note that in some cases, entering a new initial value will cause VMGSim to treat the value entered as a spe-
cification. If that happens, hit the delete key while focus is on the cell. The specification will be removed, but he
initial value will be retained.
Use the “Init From” Field
Click on the “…” button and select a stream to initialize from.
Once a source has been selected, the initialization can be repeated at any time by pressing the redo button to
the right of the “…” button
Initialize when switching to dynamics

Each time that you switch a flowsheet from steady state to dynamics, the simulator will ask if you want to ini-
tialize from steady state values:
If information is available in the steady state engine, it will be used to initialize the corresponding information in
dynamics If information is not available, dynamics will retain whatever values it already has.
The user can opt to not be prompted each time a switch is made. This is recommended only for the case where
automation is being used and where the dialog would stop the automation and require manual intervention.
Initialize flowsheet from Steady State solution

The same behavior that occurs when switching engines can be invoked at any time. From the Simulation Tree,
right-click on the flowsheet that you want to initialize, and select “Initialize From Steady State”
Initialize using the Dynamics Initialization Manager

Whenever a property package is created or modified, a default initialization object is created that is used to ini-
tialize any objects which are created and which use that property package. Initialization objects can be viewed/-
modified/created through the Dynamics | Initialization menu option, which brings up the Dynamics Initialization
Manager view:
If you do not make any changes, the default initialization has the composition set to the first component, and the
conditions set to 25C and 1 atm.
Initialization Cases
Initialization cases represent different scenarios that one may want to initialize objects/flowsheets to. For
instance, in addition to the default initialization, one may want to create a “Cold Start Case” This can be done by
clicking the Add button in the Initialization Case frame:
The initialization case can then be renamed, and values altered as needed:
Explicit Initialization
Objects or entire flowsheets can be explicitly initialized using an initialization case. To do so, select the object or
flowsheet in the Simulation Tree, and then right-click to bring up the context menu. Select “Initialize From Init
case…”
Which brings up the view:
The view displays the property package associated with the object, allows selection of the Initialization Case,
and displays the values that will be used for initialization.
Initialization Sets
The user may want to initialize different sets of equipment to different initial conditions. This is accomplished by
creating additional Initialization Sets. By default, the top level flowsheet is associated with the Initialization Set
named “Default”. When new equipment items or flowsheets are added, they inherit their Initialization Set from
the parent object. Because of this, unless the user specifically makes changes, all equipment and flowsheets
will be associated with the Default Initialization Set.
To make use of multiple initialization sets, additional sets must first be created. This is done from the ini-
tialization manager view, using the Add or Clone button in the Initialization Set frame:
Once additional sets have been created, they can be associated with equipment or flowsheets using the Tree
Navigator, by selecting “Select Initialization Set” from the context menu:
The view then appears which allows selection:
l When you change the initialization set for a flowsheet, the initialization set for all owned objects changes
as well, except for objects which have been explicitly set to a different initialization set
l Changing initialization set does not cause objects to be initialized. That happens when you use the “Ini-
tialize From Init Case…”
Integrator and Global Options

Global Switch To Dynamics
This option is available if you have a dynamics license.
Use the dropdown on the toolbar to globally switch to dynamics. A dialog appears which offers the option to ini-
tialize the dynamics engine from the steady state engine.
Integrator Form
The integrator form can be accessed from the toolbar - press the button to the left of the dropdown.
Buttons
Run
Starts and stops the integrator
Reset Time
Resets the integrator time to zero. Note that this does not change or reload the model.
Spec Analysis
Loads the Specification Analysis form. For more information, see the “Dynamic Specifcation Analysis” section
in the help manual.
Settings
Integrator Time
The current integrator time. You can set/reset this value manually.
Stop Time
The desired stopping time. This is normally not specified, which implies that the integrator will run until stopped
by the user. If a stop time has been entered, it can be removed by clicking in the cell and pressing delete.
Step Size
The integrator step size. By default, this is 1s, except for the assistants, where the default is 0.1s. Increasing the
step size may permit the model to run faster, but it will also decrease accuracy, and may result in model instabil-
ity or convergence failure.
Real Time Factor

The ratio of the model integration time to actual time elapsed.
Activate Real Time

Activating this checkbox will cause the model to run at a fixed Real Time Factor, instead of running as fast as
CPU power will permit.
Use Real Time Scale

This specifies the desired multiple of real time required when Activate Real Time is active. The simulator will run
at this speed provided that there is enough CPU capacity. Otherwise, the model will be run as fast as possible.
Initialization Mode
Checking this item will switch the simulator into initialization mode. This can be done only when the integrator is
stopped.
The integrator stepsize will be reduced, and other changes will be made to increase convergence for the pres-
sure flow solver. When the integrator is started, the stepsize will be increased in steps as stable convergence is
achieved. When the original stepsize is achieved, the mode will turn itself off.
WARNING: Variable trajectories may not be accurate or correct while initialization mode is active.
The mode is designed mainly to allow the model to run from a poor set of initial conditions – typ-
ically after a model has just been constructed or modified.
Integration Mode
Fixed -- Use a fixed stepsize
Variable -- Shrink the stepsize automatically when conditions are changing to achieve better accuracy during
transients.
Step Tolerance
Relative tolerance for shrinking the stepsize in variable step mode.
Step Ratio
The maximum ratio by which the stepsize will shrink in variable step mode.
Composition Frequency
The number of integrator steps between flash calculations. If, for instance, the integrator stepsize is 5s, and the
composition frequency is 5, flashes will be performed every 25s of simulation time.
Making the interval between flashes too large will potentially cause instability and error unless the model is very
close to a lined out condition.
Integration Method
The method used to integrate in time:
Euler -- Implicit Euler
BDF2 -- Second-order backward differentiation formula
Multirate Integration
Allow the integrator to integrate different sections of the flowsheet with different stepsizes. Can improve per-
formance with difficult cases or with variable step mode.
Flowsheet Form
The flowsheet form is accessed by right-clicking on a Visio PFD and selecting “Open Form”, or by double-click-
ing on a flowsheet in the Simulation Tree:
The Integrator tab on the form offers the same options as the global integrator form, and can be used to control
the integrator.
Settings Tab
This tab allows changing certain options for the flowsheet, and all nested flowsheets.
Ambient T
This is the outside/ambient temperature that will be used for all heat loss calculations unless it is overridden in a
unit operation
Air Velocity
The air velocity at the plant. It is used for convective heat loss calculations.
Water Velocity
The water velocity outside of equipment. It is normally used for modeling sub-sea pipeline heat loss.
Ambient P
The ambient pressure - used for gauge pressure, and for some HTC correlations.
Calc Wall Axial Cond

Calculate axial conduction in pipe/equipment walls. Walls are considered to be the inside layer in a detailed
heat loss calculation.
Reset Heat Loss Temps

Setting the flag to true will reset all heat loss wall temperatures to default values.
FNet Scale
The scaling to apply to the Visio PFD when importing data from FlareNet.
No Retrograde
Assume no retrograde behavior when performing flash calculations. This will increase performance at the
expense of a less accurate stability test.
Fast Valve Flash

Perform a simplified valve flash when conditions allow (no flashing, small delta P, etc). This will increase per-
formance.
New Holdup Flash

Use a new holdup flash algorithm which may do a better job when pressures are unstable.
Approach Steady State

Force the model to approach steady-state. Profiles may not be accurate during the approach.
Run To Steady State

Make the integrator stop if the model reaches a steady-state.
Enable Alpha Features

Enable features which are still in development and are therefore not supported and undocumented.
Use Multiple CPUs

Enable multi-threaded calculations to improve performance.
Step Mode
By default this is set to Auto, which means that the integrator runs normally when started. If you switch this to
Manual, the integrator will run for a fixed number of steps, and then pause until either more steps are specified,
or the mode is switched back to Auto.
Manual mode is useful for troubleshooting models, since it allows stepping in a controlled manner, and eval-
uating results between steps.
Control layer Frequency

The number of integrator steps between control type unit op calculations.
All control objects run as a two step process: they all read the current state of their inputs, and then they all cal-
culate their outputs. This means that the outcome is deterministic, and does not depend on the order in which
different control elements calculate. It also makes the delay in signal propagation a strict function of the number
of control elements in the signal path.
Process calculators are considered to be control objects.
PFS Frequency
The number of integrator steps between pressure -flow solver solutions. This should normally be 1. A possible
scenario where one might want to make this greater than one would be to run the control layer with a faster
cycle time.
Num. PFS Retry

Number of times to automatically to restart integrator after PFS failure
Do Static Head Calcs

The options are:
l None: No static head calculations will be performed

l Internal: Static head calculations will be performed based on elevation differences inside unit operations
– e.g. nozzle locations on separators
l Full: In addition to Internal, static head contributions will be calculated based on elevation differences
between unit operations. A warning will be issued if unit operation elevations are not specified
l Inherit: The setting is inherited from the parent flowsheet
The default is Internal. Note that some internal static head contributions are always included – for instance, the
distillation section and the pipe segment
Report Static Head

This calculates static head terms, but does not use them as part of the pressure balance. The options are the
same as for Do Static Head Calcs
Do Kinetic Head Calcs

Kinetic head calculations are the pressure and energy changes caused by changes in fluid velocity. These can
be for instance, velocity changes caused by reducers/enlargers, or entry and exit losses for pressure vessels.
You must specify nozzle diameters to be able to calculate kinetic head. Default/calculated nozzle diameters will
not be used.
If the outlet diameter from one unit operation does not match the inlet diameter for a downstream unit operation,
a reducer/enlarger will be assumed
The options are:
l None: No kinetic head calculations will be performed
l Calculate: Kinetic head calculations will be performed for all nozzles where the nozzle diameter has been
specified.
The default is Calculate. Note that some kinetic head terms are always calculated – for instance in the pipe seg-
ment.
Do Pipe Transient dP Calcs

Transient dP accounts for the pressure required to accelerate fluid. The options are:
l None: No transient dP
l Full: Calculate and apply this contribution.
l Clipped: Calculate the contribution, but limit the effect.
Propagate Feed On Connect

When this is enabled, and you connect a feed to the first feed port on a unit operation, the unit operation holdup
will be initialized using the conditions in the feed stream. Similarly, when you connect any product stream, the
stream conditions will be set to match the holdup conditions.
This does not account for any unit operation specifications such as Delta P or T Out. If you have a distillation sec-
tion, a better approach for initialization is to connect both feed streams and then use the "Init. From Feeds" but-
ton.
Default DP Method for Tees

The method for calculating pressure drop for tees can be selected on an individual basis, but the default beha-
vior is to follow this global switch.
The default is Crane, which is simpler and requires less information, but is probably less accurate.
For a more detailed explanation of the options, see the documentation for either Mixer or Splitter.
Phase Split Method

The method for calculating phase split for tees can be selected on an individual basis, but the default behavior is
to follow this global switch.
The default is Equal, which assumes phases split equally. Hart/Wren and Kin Energy will calculate how the fluid
will split between the branch and the through run.
For a more detailed explanation of the options, see the documentation for either Mixer or Splitter.
Default Method Fitting K

The method for calculating fitting K values. The options are Crane, Hooper 2K, and Darby 3K.
Std Liq Vol Ref T [F]

Reference temperature for standard liquid flow for all unit sets.
Std. Gas Reference P (English) [psia]

Reference pressure for standard gas flow when used in English related units.
Std. Gas Reference T (English) [F]

Reference temperature for standard gas flow when used in English related units.
Std. Gas Reference P (Metric) [psia]

Reference pressure for standard gas flow when used in metric related units.
Std. Gas Reference T (Metric) [F]

Reference temperature for standard gas flow when used in metric related units.
Normal Gas Reference P [psia]

Reference pressure for normal gas flow.
Normal Gas Reference T [F]

Reference temperature for normal gas flow.
Diagnostics Tab
PFS Time
The amount of time taken in the PFS calculations
Comp Calc Time

The amount of time taken in the composition calculations
Interface Time
The amount of time taken to update the values in the GUI.
Steady State And Dynamic Simulation In The Same Project

It is possible to have some flowsheets operating with the steady state solver and other flowsheets operating
with the dynamics solver. This can be achieved by switching only specific flowsheets to dynamics. If you use this
advanced feature, the top level flowsheet must always be steady state, and you cannot use the global integrator
form
Assume you have added a flowsheet “/FS1” to the top-level flowsheet “/”. You would then open the flowsheet
form for FS1
and switch the Active Engine to Dynamics:
The integrator execution mode must be set to StdAlone, since the parent flowsheet is Steady State. If the par-
ent flowsheet also has the Active Engine set to dynamics, you have the option of isolating this flowsheet and all
contained flowsheets by setting the integrator execution mode to StdAlone, or running this flowsheet as part of
the parent flowsheet by choosing nested. If you select Nested, the integrator controls disappear, since the exe-
cution will be controlled by the parent flowsheet.
Important Notes
l For steady state calculations to function correctly, the root flowsheet must be steady state, and all steady
state flowsheets must have a parent flowsheet which is also steady state.
l You must ensure that Pressure/Flow boundaries are consistent for the active dynamics flowsheet. This is
true whether contained flowsheets have been excluded by ignoring them, or by setting them to StdAlone
Modeling Distillation Columns

Distillation columns in steady state can often be modeled using a single distillation unit operation. In part, this is
because the steady state model is a design model, and does not need to deal with many of the complexities of a
physical distillation column.
In dynamics, a distillation column model is constructed using Distillation Sections, together with any ancillary
equipment required to model condensers, reboilers, pumparounds, etc. The modeling process is best learned
through an illustration case.
Illustration Case
The illustration case is a naptha stabilizer column. We have an existing steady state model, and wish to con-
struct a dynamic equivalent. The column removes all C4 and lighter material from the naptha. The spe-
cifications are 100ppm nC4 in the naptha, and 100ppm iC5 in the overhead.
Load The Sample Case

Load the case “Towers - Distillation\Naptha stabilizer.vmp”, and save it as “Naptha Stabilizer Dyn.vmp”.
Create a Dynamic Flowsheet

Drop a flowsheet object onto the PFD:
The, right mouse click on the flowsheet object, and select “Open Form”. Change the name to Dyn, and change
the Active Engine to Dynamics. Then change the integrator execution mode to StdAlone:
Planning The Dynamic Model

We need to have a goal for what the dynamic flowsheet will look like. Tower sizing will reveal a significant dif-
ference in diameter above and below the feed. This, together with the need to introduce the feed, leads to a
solution using two distillation sections. We will opt for the simplest possible models for a condenser and reboiler
– a separator with a duty.
Since this is a tutorial, we will take a sneak peek into the future:
Modeling the rectifying and stripping sections

Run the tower sizing on the steady state model. It shows the top section as having a diameter of 4 ft, with a weir
length of 2.9 ft, and the bottom section having a diameter of 9 ft with a total weir length of 22.7 ft.
Add a distillation section to the flowsheet, and name it Rectifying. Set the diameter and weir length. Change the
number of trays to 14:
Add a second distillation section to the flowsheet, and name it Stripping. Set the diameter and weir length.
Change the number of trays to 24:
We now need to add feed and product streams:
The connection streams are:

l S1: Liquid feed to Rectifying
l S2: Vapor from Stripping to Rectifying
l S3: Vapor product from Rectifying
l S4: Liquid from Rectifying to Stripping
l S5: Liquid from Stripping
l S6: Vapor to Stripping
To add the feed stream, which goes to the top tray of the Stripping Section, open the form for Stripping and go
to the Feeds/Draws tab:
Click on the new button in the Feed Section:
Select stage 1 and hit OK. Then connect an external feed by typing “Feed” in the Connected Obj field:
Initializing from the steady state column

We can initialize the model from the steady state model. Open the form for Rectifying, and click on the button at
the bottom: “Init From Tower”. Then click on the arrow to expand the “Change Reference Flowsheet” section,
and select “/”, since the steady state tower is in the “/” flowsheet. Then select T1, and from the right hand side,
select stage 2 as the starting stage:
Hit OK, and then repeat the same for the Stripping section (the starting stage will be 16).
We need to initialize the feed to the column, which we can get from the Feed in the steady state flowsheet.
Open the Feed stream, and select the button next to init from:
Which will bring up the init from form. Change reference flowsheet, and select Feed.In from the “/” flowsheet.
Hit OK.
Make the Temperature, Mass Flow, and Composition be specifications:
To get the model to run, we need some more specifications: We must specify the pressure in S3 (the vapor
product), and Temperature, Mass Flow, and Composition in streams S1 and S6 (the feeds to the sections).
When you are done the PFD should look like:
Save your model (using a different name, e.g. “Naptha Stabilizer Dyn 1.vmp”)
You can now attempt to run the model. The easiest way is to use the run button on the PFD:
After a little while the flows and pressure should stabilize. You can monitor it by opening the form for the Rec-
tifying section, and going to either the Detail Tab or the Profiles Tab:
Stop the integrator and save your model again to a different name.
Adding The Condenser

At this point we will add the overhead condenser, and reflux and level control. Once things stabilize, we will con-
nect the reflux back to the column. We will need an overhead accumulator, a reflux pump, and control valves for
the water decant, reflux, and product. Use a MultiFeedSep3 for the accumulator:
We need to size the separator: From steady state, the total liquid flow is about 0.62 ft3/s. If we want a liquid res-
idence time of 30 min at 50%, we need a volume of 2236 ft3. We also need a liquid boot, but the water rate is
very small. We can also set the condenser temperature:
We similarly need to size the pump. We know the design flow, so we need a design head: we assume a SG of
0.5, and we want about 40 psi (3 atm) of pressure rise. This gives a head of about 200 ft. We use an efficiency
of 65%:
We need to size the valves. For the water decant, the Cv needed will be very small, so we select a Cv of 1, and
make the valve Equal Percentage. We rename the valve to LV-2:
For the liquid product, we have about 43 gal/min at 120 psi and an sg of 0.5 and 50% opening. This gives a Cv
of about 5.6, so we select a valve with a 1” trim. We name the valve LV-1:
For the reflux, we have about 236 gal/min at 40 psi and an sg of 0.5 and 50% opening. This gives a Cv of about
53, so we select a 2” valve. We name the valve FV-1:
We specify the pressure in S9 and S13 to 1 atm, and the pressure in S15 to 100 psia (This will be the reflux).
Save the case, then run the integrator. You should have vapor flowing out through all the product streams.
Note: We left the pressure specification on stream S3 rather than moving it to S7. This is because we have a
large volume in the Condenser which will start from 14.7 psia, and cause a disturbance if we shift the pressure
specification. If we wanted to move the pressure specification, we would need to initialize the Condenser using
stream S3 as the source, so that the Condenser would start at 100 psia.
Adding The Condenser Control Layer

We need to add level control for the products, and flow control for the reflux. We need to add temperature con-
trol to the condenser.
Move the pressure spec from stream S3 to stream S7. Add a level controller, LC-2, which measures
Condenser Boot/Hvy % Level, and manipulates LV-2. A screenshot shows suggested tunings:
Add a level controller, LC-1, which measures Condenser Percent Level, and manipulates LV-1. The same tun-
ings should work.
Add a flow controller, FC-1, which measures S14 Std Liq Volume Flow and manipulates FV-1. A screenshot
shows suggested tunings:
The system should look something like
Save the case. Run the integrator until the process lines out.
Note that the overhead pressure control strategy is very simple - we have a fuelgas blanket in the form of a
reverse flow in stream S7. More complex/realistic pressure control strategies are discussed in the section "Over-
head Pressure Control" below.
Close The Loop On The Reflux

Delete stream S1, and connect S15 to the Rectifying section liquid feed. Remove the pressure spec on stream
S15. Run the integrator until the process lines out. Save the case.
Add The Reboiler
Add a MultiFeedSep2 named reboiler, and spec the duty to 3.85e7 Btu/hr. Connect S5 (the liquid product from
the Distillation Section) to the feed. Add a vapor product stream (S1), and spec the pressure to 103.4 psia. Add
a liquid product stream (S16), a valve LV-3, and a product stream from the valve (S17). Specify the pressure
downstream of the valve (S17) to 1 atm.
The valve is carrying 853 gal/min at design with a dP of approximately 80 psi, an sg of 0.5, and 50% opening.
This gives a Cv of 67, so we select a 3” valve:
Configure The Reboiler Control

We need a level controller:
Save the case, and then run the integrator until the reboiler stabilizes.
Then delete S1, connect the vapor product from the Reboiler to the vapor feed of Stripping (S6), and delete spe-
cifications of temperature, pressure and compositions of S6. Save the case again. Run until the model sta-
bilizes.
Adding Composition Control

We want to control the overhead to purity of 100 ppm iC5 in the distillate. Add a composition controller XC-1
that measures the iC5 mol fraction in stream S15, and manipulates the setpoint of FC-1:
Note that the PV range extends only to 4e-4. We have set a sample and hold time of 5 min to simulate an ana-
lyzer cycle, and set Is Analyzer to true. We have set a PV filter of 60s to damp the updates. Note that the output
has been set to 35% to match the setpoint for FC-1. Then change the slave controller FC-1 mode to Cascade:
Run the integrator and verify that the loop appears to be operating correctly. The configuration looks like:
Then proceed to configure the reboiler composition control. The controller reads the n-Butane concentration in
stream S16, and manipulates the reboiler InQ:
Save the model, and then run until stable. The final configuration at the bottom looks like:
Additional Topics
Avoiding Pressure Loops
It is possible to create pressure loops which will cause the pressure flow solver to fail. The simplest (non-dis-
tillation example) is
The problem is that stream S3 adds a pressure equality constraint for SP1 and M1 that has already been sup-
plied by stream S2. The correction for the problem is to add a resistance in each flow leg:
A distillation section can be viewed as being equivalent to
This is because of the resistance term associated with the dry-hole pressure loss and the downcomer apron
pressure loss.
Because of this, it is important to decouple pressures when building overhead condenser systems or
pumparound systems. A combination of a pump and a control valve works well, and typically mirrors the phys-
ical system as well.
Overhead Condenser Models

The tutorial example above illustrates the simplest possible model for an overhead condenser, whereby the con-
denser and overhead accumulator are modeled as a single separator with a duty. It is possible to model the con-
denser separately using either a Heater/Cooler or a Heat Exchanger:
This modeling approach will work well unless a pressure reversal occurs, at which point in time, liquid as well as
vapor, will flow back into the column. This potential problem can be avoided by setting the nozzle elevations on
the Heat Exchanger appropriately. The refrigerant is on the shell side, and should enter through the bottom,
with vaporized refrigerant coming out the top, so the shell feed is at 0%, and the shell product is at 100%. The
opposite holds for the process (tube) side. The vapor from the column enters at the top, and then exits at the bot-
tom. That way if the pressure reverses we will preferentially pull vapor from the heat exchanger into the column.
Overhead Pressure Control

The simplest possible overhead pressure control was used in the tutorial case: specifying the pressure in the
vapor line, and a suitable blanket gas composition should reverse flow be required. The next simplest con-
figuration would be:
This configuration will work, provided that one can guarantee that there will always be non-condensible mater-
ial being vented. If not, split-range control is required:
Reboiler Models
The simplest reboiler model is a separator with a duty, as used in the tutorial. It acts like a kettle reboiler. It is pos-
sible to model the kettle tube bundle using a heat exchanger:
One has to avoid the problem of pressure loops. This is done by specifying the flowrate to the heat exchanger,
and omitting the k spec for the shell (process) side of the exchanger. Note that the circulation flow should be suf-
ficient such that the temperature rise across the exchanger is modest, since it is actually modeling heating a
pool of liquid.
A thermosiphon exchanger can be modeled similarly. Three changes are required:
l The flow is calculated from the static head differences between the separator and the exchanger, so
remove the flow spec and add a k or dP spec on the exchanger.
l If full static head calculations are not enabled for the flowsheet, enable the Thermosiphon Effect. This
enables static head calculations around the exchanger.
l The efficiency for the vapor phase in the feed nozzle of the separator and the separator holdup should be
set to zero. In this way, the returning liquid will mix back with the liquid in the sump, but the vapor will mix
only with the vapor in the sump before returning back up the column.
Historian
General
The Historian is used to keep track of key process variables in Dynamics; it creates group of variables called
Datasets, where each data set contains the variables that will be monitored.
Open Historian
There are 3 ways to open the Historian Form:
1. Select Historian from the Dynamics menu.
2. Click the Historian button on the Flowsheet assistant.
3. Right Click on any strip chart and select View Historian.
Create a Data Set

By default, when the Historian is opened it appears with an empty Data Set named “DataSet1”, that is ready to
be used.
To create a new Dataset click on the Add button
Select a Data Set

To change to another Data Set, select it from the Data Sets list.
Delete a Data Set

To delete a Data Set select the Data Set and click the Remove button.
Rename a Data Set

Type the new name in the Name field and press Enter.
Update Frequency
The frequency at which the Data Set will read and store values.
Data Rows in Memory

Sets the number of data points in a data set that will be stored in memory. When the data sets reach this size,
the oldest value will be deleted and a new one added.
Use Database
Creates a database file to store the data into. This will allow you to store more data than the in-memory data
set. If you turn the size down on the in-memory data set. You will still be able to collect large amounts of data.
Add Property
Select a Data Set, click the Add Property button and the Navigation Form will appear. Find the desired variable
on the right side of the navigation form, double click on it or select and click the OK button.
Remove Property
Select the property in the properties frame and press the Remove Property button.
View Data Table

To view the Data as a Data Table, select the Data Set and click on the Show Data button.
Rows to Display
The number of rows that are displayed.
Specify Start Time

Allows you to change the start time when you are using a database.
Start Time
The start time of the data set shown.
Max Time
The maximum time in the data set.
View Strip Chart

To view the Data as a Strip Chart, select the Data Set and click on the Show Strip Chart button.
Strip Charts
General
The strip Chart is a graphical representation of one Data Set.
The Strip Chart shown in the above figure corresponds to Data Set FLDepS_Vessel_VS1
Open Strip Chart

There are 4 ways to open a Strip Chart:
1. From the Historian, click Show Strip Chart button
2. From the Data Table, click Show Strip Chart button
3. Right click on any unit operation in the PFD. If the unit operation hasn’t created a default strip chart, click on
Create Strip Chart. If the Unit Operation already has a strip chart click on Show Strip Chart.
4. While using the assistants, right click in the first row (contains the name of the unit operation) and click on
Show Strip Chart.
Print
The print button shows a preview of the strip chart that is ready to print.
Auto Scale Y Axis Button
This button auto scales all Y-axes.
X Axis Tool Bar
The blue bar represents the actual time view in the strip chart. The data view can be moved in time by pressing
the arrows on either side of the bar.
To change the data view size, click on the blue section which will increment in size by 25% per click until it
reaches 100% and then returns 25%.
Another way to change the view size is by dragging the left edge of the blue bar with the mouse.
Time Stamp
Click on any place inside the strip chart and a dotted line will appear with the values at that time. The upper
value corresponds to the x-axis value (time).
Right Click Menu

Right click on the Strip Chart and this menu will appear:
Add Variable
Open the Navigation form to add any variable to the strip chart. This is the same as using the Add Property but-
ton in the Historian form.
Another way to add a variable is by selecting the variable in any unit operation form, and dragging it to the strip
chart with the mouse. Alternatively, right click on the variable and choose Add to a selected strip chart.
Configure
This opens the Configuration form (See Configure Strip Chart for details). The same form will be open by
double clicking on the strip chart.
View Historian
Opens the historian form.
View Data Table

Opens the Data Table form that corresponds to the data set for the selected Strip Chart.
Copy All Data

Copies all the Strip Chart data to the clip board where it can be pasted into an external program.
Copy Data from Time Stamp

Copies the Time Stamp values to the clip board where they can be pasted into an external program.
Configure
The configure form is used to change the colors and axis values on a given Strip Chart.
Quick Set Up
In this tab, the user can make quick changes.
Strip Chart Title

Sets a custom title.
X axis Span
Sets the amount of data to be displayed.
Show Grid
Show or hide the strip chart grid.
Show Variable Information

Show or hide the variable information.
Auto Scale button

Auto scales the selected y-axis.
Display Name
This cannot be modified as it is displayed for information purposes only.
Minimum Value
Minimum value of the Y-Axis
Maximum Value
Maximum value of the Y-Axis
Axis Color
Shows a color palette used to select the Axis color.
General
Strip chart settings can be modified in this tab.
The following is a view of a strip chart with black a background.
X-Axis
The X-Axis can be configured.
Minimum Value
Minimum value of the X-Axis
Maximum Value
Maximum value of the X-Axis
Minor Spacing
The x-axis is divided into sections of the size entered into this cell.
Ticks per Label

This parameter sets every how many x-axis ticks are used to display a time label.
The following shows a strip chart with the automatic plot value display enabled each 10 seconds.
Y-Axis
The Y-Axis can be configured
Current Y-Axis:
Select the Y-axis that is going to be configured.
Show Axis Label

Enable to display the Y-axis in the strip chart.
Set to main Y-axis

If enabled, sets the current Y-axis as the first Y Axis.
Minimum Value
Minimum value of the Y-Axis
Maximum Value
Maximum value of the Y-Axis
Minor Spacing
The y-axis is divided into sections of the size entered into this cell.
Ticks per Label

This parameter sets every how many y-axis ticks are used to display a time label.
Axis Color
This parameter sets the Y-Axis color.
Property
All the variables of a given type are grouped by the related y-axis and all changes that are applied to the Y-Axis
are applied to all the properties (or variables). However, each property can be customized using this section by
selecting a property from the drop down menu.
Width
Changes the width of the selected property.
Style
Changes the line style of the selected property (Solid, Dashed, Dotted, etc.)
Property Color
Changes the color of the selected property.
Note that this can make the property color not match with the corresponding Y Axis color.
Faceplate manager
The faceplate provides and interactive and easy way to manage information pertained in a controller. To access
the faceplate manager, select the Faceplate Manger from the Dynamics menu.
The Faceplate Manager lets you quickly navigate through all available flowsheets in the case and open up the
desired faceplates. In addition, the Faceplate Manger provides an easy way for you to align and arrange all the
Faceplates in the case.
Opening a Faceplate
1. From the list of available flowsheets and sub flowsheets, select the flowsheet that you want to search.
The list of Available Items will now be populated with all the available faceplates.
2. Select the controllers you would like to view faceplates for, and press the > button to select them. You
could also press the >> to select all the faceplates.
3. Once you have selected the controllers, select the faceplate orientation as well as the style of the face-
plate.
4. By default, opening the faceplates in the selected item list will align all of the faceplates in that list to the
left. If one of the faceplates in the list is already opened, but you do not wish for it to move, select the
“Don’t move already opened ones” checkbox.
5. Once all the settings are in place, press the “Open” button.
OR
5. Press the “Faceplate” button on any of the controller forms. The orientation and style of the faceplate that
opens will follow the settings set in the options.
Faceplate Types
The faceplates support a variety of views and styles. The faceplate can be arranged horizontally or vertically. In
addition, the faceplate has a detailed view, as well as a simplified view. The view and arrangement can be pre
determined in the options, through the faceplate manager, and on the faceplates.
The faceplate orientation can be changed with the button or the button. The detailed and simplified view
can be switched with the / and / buttons.
Static And Kinetic Head Calculation

Static Head Calculation
By default, static head calculations are performed on a limited basis inside certain unit operations – e.g. Distil-
lation Section and Pipe Segment.
Static head calculation is enabled from the flowsheet form:
Do Static Head Calcs

l None – Only unit ops such as Distillation Section will perform static head calculations
l Internal – Static head calculations will be performed for all unit operations
l Full – Static head calculations will also account for elevation differences in connections between unit oper-
ations
l Inherit – The setting will be inherited from the parent flowsheet
Report Static Head

This has the same options as Do Static Head Calcs. This option calculates static head pressure contributions,
but does not use them as part of the pressure balances. If Do Static Head Calculations is enabled, it may over-
ride this setting.
Internal Static Head Calculations

These calculations calculate the pressure difference between a nozzle (normally connected to a stream) and
the pressure in the holdup associated with the nozzle.
To illustrate this, consider a separator, 10m in height, filled with water:
The nozzle tab reports the following:
The water density is 996.26 kg/m3 and g = 9.80665 m/s^2. This implies a static head of 9.77 kPa/m.
The reference location for the holdup is the vapor-liquid interface, so the holdup pressure is the pressure at the
top of the separator. The feed is located at 50% of the height (elevation 5m), so there is a pressure difference of
-5*9.77 = -48.85 kPa.
Note that nozzle elevations are measured at the bottom of the nozzle, so that even for the overhead product
nozzle, there is a 50cm elevation difference between the nozzle and the holdup pressure.
External Static Head Calculations

When the Full option is selected, the simulator also calculates static head contributions because of elevation dif-
ferences between nozzles on different pieces of equipment. To illustrate, consider the following arrangement:
Assume that Sep1 and Sep2 are identical in geometry, but that Sep2 is at a higher elevation than Sep1, and
that V1 is at the same elevation as the liquid product nozzle on Sep1. With respect to static head, there are
three possible scenarios:
l There is flow from Sep1 to Sep2. In this case, the static head difference between V1 and Sep2 is determ-
ined by the elevation difference and the density of the fluid leaving Sep1.
l There is reverse flow from Sep2 to Sep1. In this case, the static head difference between V1 and Sep2 is
determined by the elevation difference and the density of the fluid leaving Sep2.
l There is no flow, and the static head corresponds to some liquid level in the connecting “Pipe” (i.e. S6).
The static head difference is determined by the liquid level in the “Pipe” and the liquid density in Sep1,
and the vapor density in Sep2.
Since S6 contains only one set of data, the convention is that the data is reported at the conditions of the
upstream product nozzle - i.e. at the outlet of V1.
Energy Balance
Static head also has an impact on the energy balance. In SI units, pressure difference is reported in Pa, which
can also be written as J/m^3. Hence, the change in energy per mass is equal to the change in height multiplied
by the gravitational constant. The screenshot below illustrates the conversion of potential energy to enthalpy:
The energy change is 100m*9.80665m/s^2 = 0.981 kJ/kg = 17.67 kJ/kmol
Kinetic Head Calculation

Fluid in motion has momentum, and associated kinetic energy. The required energy must come from either
external work, or one of the other forms of energy associated with the fluid. Bernoulli’s equation describes this
balance:
u*du + g*dh + (dH = dU + d(P/rho)) + dW = 0
Change in velocity also implies a change in pressure. The conversion between pressure and momentum is
often not reversible – some of the pressure energy is converted to heat instead. For instance, where there is an
abrupt enlargement, such as a nozzle discharging into a separator, there is no pressure recovery – all
momentum energy is converted to heat energy.l
Kinetic head calculation is enabled from the flowsheet form:
Do Kinetic Head Calcs

l None – Only the pipe segment unit operation will account for kinetic energy balance
l Calculate – Kinetic head calculations will be performed for all unit operations where sufficient geometry
information has been supplied
l Inherit – The setting will be inherited from the parent flowsheet
Rules for Calculating Kinetic/Momentum Balances

Diameter must be specified
l Diameter / cross-sectional area must be known in order to calculate velocity.
l It is not sufficient for a diameter to be known. It must be specified. All nozzles have a default diameter,
which is used to determine phase fraction vs level. These default values will not be used for kinetic cal-
culations. If you wish to perform kinetic calculations, either convert the default value to a specification, or
supply a user value as a specification.
l Pipes automatically set nozzle sizes to match to pipe diameter, so you do not need to supply nozzle dia-
meters for pipes
Battery limits streams are assumed to have the velocity of the connected nozzle. This implies that battery limit
streams have kinetic energy, and the pressure and temperature in the stream are the flowing values, not the
stagnation values.
When a stream is connected at both ends, the values reported in the stream are the conditions at the upstream
nozzle
If two nozzles are connected, and they have different diameters, a reducer/enlarger will be inserted
Mixers and Splitters are treated as a tee-through.
The first inlet and outlet are the straight through part, and all additional inlets and outlets are treated as side
branches with a higher pressure loss.
Choke / Sonic Velocity Calculation

Choke / Sonic velocity calculation is computationally intensive. Because of this, choke calculations are per-
formed only in the following unit operations:
l Pipe Segment - Choice of frozen flash or full equilibrium
l Relief Valve – full equilibrium
l Valve / Control Valve – Vapor choke only
Examples
Separator Entry Loss
We have a separator where we have specified the vapor outlet nozzle diameter, and have enabled kinetic head
calculations. The pressure drop between the separator pressure and the stream pressure is caused by having
to accelerate the fluid from essentially zero velocity to over 100 m/s. We can verify the numbers by calculating
the kinetic energy of the flow. Note that there is an exit loss of K=0.5, which implies that the pressure loss will be
1.5 times the gain in kinetic energy:
The kinetic energy is u^2/2 = 5348 J/kg. The pressure drop is 7481 Pa, i.e. 7481 J/m3 which is 8022 J/kg, which
is 1.5 times the kinetic energy.
Flarenet Reader
General
The Flarenet Reader allows flare systems created in Flarenet to be imported into VMGSim for dynamic ana-
lysis.
Importing
To import a file, select the desired flowsheet in the Simulation Tree, and click the ellipsis on the right. Then
select Import FNet. This brings up a file browser to select the fnwxml file for import.
The flare system will then be inserted as a new flowsheet under the original flowsheet.
Historic Min/Max Tracker

General
The Min/Max Tracker is used to keep track of the exrema of key process variables in Dynamics. It streamlines
analysis of variables for which only the minimum or maximum is important.
Open Min/Max Tracker

To open the Min/Max Tracker select Historic Min/Max Tracker from the Dynamics menu.
Add Variables
To add variables to the tracker, select Add Variables from the Tracker main page.
Unit ops can either be added individually or by type.
On the Variables tab the desired variables associated with the selected unit ops can be specified.
Working With Variables

The tracker can track the minimum, the maximum, both, or neither. It can also record the time that the min/max
value was achieved.
Pipeline Pigging
Adding and Removing Pigs
Pigs can be added to any unit-op which supports pigging. These unit ops are pipes, mixers, splitters, and
valves. To directly add a pig, open the unit op form, expand the Advanced section, and check the "Has Pig" box.
In pipes, there is a Pigging section which holds all of the pig data. Pigs can be added to a specific pipe segment
by changing the Pig Segment value.
While pigs can be added directly to unit ops, it is usually preferable to add them via mixers, which model pig
launchers. To launch a pig, check the "Has Pig" box in the advanced section of mixer form. The pig will then con-
tinue through the exit stream to the next unit op. Note that it is not necessary to add a secondary input stream to
the mixer/pig launcher.
Pigs can be launched with the event scheduler. The Variable Name for the action is the Has Pig variable, e.g.
M1.HasPig for Mixer 1, and the target is 1.
Pig catchers are best modeled with the splitter unit op. Connect the outlet stream to the secondary outlet, and
the pig will be caught in the primary outlet and then deleted. It is not necessary to connect an additional stream
to the primary outlet.
Pig Propagation
Pigs will propagate through the flowsheet by following the flow of material, as long as each unit op it reaches
supports pigging. If a pig reaches an unsupported unit op, then it is deleted automatically.
Mixers
Pigs can flow through mixers from either inlet stream. In this case the model does not distinguish between the
straight-run and the secondary inlet.
Splitters
Pigs will flow through splitters along the straight-run, i.e. along the primary outlet.
Pipes
Pipes can only have one pig at a time. If a second pig reaches the pipe before the current pig exits, the second
pig will remain in the previous unit op until the pipe is clear.
Currently, pigs will not recognize line size changes or sharp bends and will continue past them, even though
they would in reality be trapped.
Pig Data and Analysis

Associated Data
Each of these variables are under the Advanced section of the relevant unit op. If a pig moves from one unit op
to another, then the associated pig variables also move to the next unit op.
Has Pig
Indicates where the unit op currently contains a pig. Common to any unit op which supports pigging.
Pig Segment
The segment of the pipe which currently contains the pig. Only for the pipe segment unit op.
Pig Location
The distance from the pipe entrance at which the pig is located. Only for the pipe segment unit op.
Pig K
The associated K value for the pig to account for frictional pressure losses. Only for the pipe segment unit op.
Pig Velocity
The velocity of the pig. Only for the pipe segment unit op.
Flowsheet Assistants
Depressuring Assistant
Depressuring & Blowdown
Examples Depressuring\Depressuring Example 1.vmp
Depressuring\Depressuring Example 1-1.vmp
Depressuring\Depressuring Example 2.vmp
Depressuring\Depressuring Example Input Fire.vmp
Depressuring\Depressuring Example N2 BlowDown.vmp
Depressuring\Depressuring Heat Loss U.vmp
Depressuring\Depressuring1.vmp
Introduction
This tutorial covers creating depressuring/blowdown models in VMGSim version 3.2 and later.
The tutorial assumes that the user is familiar with the standards and methodologies associated with relief and
blowdown, and focuses solely on how to create the necessary dynamic models within VMGSim.
While it is possible to create depressuring models manually, it is normally far easier to use the Depressuring
Assistant to create such models. The depressuring assistant not only creates the necessary flowsheet ele-
ments, but also ensures that the specifications to the pressure-flow solver are correct and consistent. It also
provides snapshot capability, so that the depressuring scenario can be reset and run multiple times without hav-
ing to save and reload the simulation.
Overview
The tutorial starts with very simple models, and becomes progressively more complex with subsequent
examples. It covers:
l Blowdown through a control valve

l Blowdown through a relief valve
l Heat loss to and gain from surroundings
l Fire heat input
l Flare lines
l Multi-Vessel depressuring
l Event scheduler for blowdown sequencing
l Pipeline depressuring
Depressuring Assistant
The depressuring assistant is the easiest way to construct depressuring flowsheets. It provides the following
functionality:
l Builds a dynamic simulation flowsheet inside the user selected flowsheet
l Provides “wizard” style functionality for initial construction of the flowsheet
l Provides a spec summary and a performance summary for the flowsheet
l Creates stripcharts to monitor the blowdown
l Provides reset functionality so that cases can be run repeatedly
l Allows for single vessel (default) or multi vessel cases
Note: The reset functionality takes a snapshot of the flowsheet when the blowdown starts, and uses the snap-
shot to restore the blowdown initial conditions. If you make changes to the flowsheet layout or equipment
options during the depressuring run, you will not be able to restore the snapshot because it is no longer con-
sistent with the flowsheet. The reset button will be disabled.
Always reset the blowdown before making changes. It is also good workflow to save your simulation frequently
in case you should encounter problems which may require you to backtrack.
Accessing the Depressuring Assistant

The Depressuring Assistant is available from the Assistants | Flowsheet Assistant Manager menu item.
Select the Flowsheet Type to be Depressuring System. You have the option to:
l Create a new flowsheet and associated assistant
l Create an assistant for an existing flowsheet
l Open the assistant for a flowsheet that already has one
To create a new flowsheet/assistant, select the parent flowsheet from the flowsheet list, then press create.
The following view appears:
The assistant is configured for single vessel blowdown by default. You can provide the initial conditions for the
vessel by supplying the values, or by referencing any existing stream in the simulation.
Depressuring Assistant Examples

Depressuring Example 1
Start from the supplied “Depressuring Example 1.vmp” simulation case, or create a simulation case with
Advanced Peng Robinson (Nitrogen, Methane, n-Pentane), and a stream S1 with T=290 K (16.9C), P=150
bar (15000 kPa), pure N2.
Create a depressuring assistant and select stream /S1 to initialize the vessel. The vessel data is L=1.5 m,
D=0.3 m, vertical. Delete the vessel volume and input the length and diameter.
Then click next to go to the valve page. The valve has Cv=1.4, %Opening=100%.
Click finish and the flowsheet will be automatically created:
The depressuring form has 2 sections, the first one is the overall system information and the second one is for
the specific unit operations.
Double-click in the axis area of the stripchart.

The default colors can be changed by clicking on them in the plot form.
Change the axes:

MassFlow: 0-5000 kg/h
Pressure: 0-15000 kPa
Temperature: (-220)-30 C
Time: 0-150 s. Go to the X-Axis tab at the top of the form to add the minimum and maximum value for the
time span
Time: 0-150 s. Go to the X-Axis tab at the top of the form to add the minimum and maximum value for the
time span
To open the depressuring assitant at any point you just need to click on the vessel next to the traffic light.
Set the stop time on the assistant to 150s. Save the case as “Depressuring Example 1 – 1.vmp”. Press run on
the assistant. After a short while, the integrator will stop and the stripchart should look like the following:
Save the case as “Depressuring Example 1 – 2.vmp”
Example 2 – Using a Relief Valve / Choke
Continue from Example 1 or recall case Depressuring Example 1-2.vmp

We are going to blow down through a choke of 32 mm2, with an assumed discharge coefficient of 0.74.
Click the reset button on the assistant form, then switch to the System Configuration tab, and change the Top
Valve Type to “Relief Valve”. Note that the flowsheet changes correspondingly:
Go to the Design Summary Tab, and expand the Overhead Valve node. Set the Set Pressure to 50 kPa. This
will ensure that the relief valve stays fully open and acts like a choke. Input the area and the vapor discharge
coefficient.
Save the case as “Depressuring Example 2.vmp”. Then run the case, and save as “Depressuring Example 2 –
1.vmp”
Exporting Data
The data from the stripchart can be exported by copying to the clipboard. Right-click on the stripchart, and
select Copy All Data.
The data can then be pasted into a spreadsheet.
Example 3 – Adding Heat Loss Calculations

Continue from Example 2 or recall case Depressuring Example 2-1.vmp
Click reset. Click on Vessel_1 at the top of the Design Summary view, which will bring up the separator form. In
the Summary tab, change the Heat Loss Calc Type to "Detailed". Then, a new Heat Loss tab will show up next
to the Summary tab.
To add another stripchart to the case, go to Dynamics -> Historian and click on "Add", this will create a second
stripchart that will be called Vessel_Heat_Transfer"
"Add the Inner HTC to the new stripchart. Go to the vessel form -> Heat Loss, right click on the "Inner HTC" and
select Add to "Vessel_Heat_Transfer"
"Double click on the stripchart and change the axis for the Inner HTC from 0 to 200"
Save the case as “Depressuring Example 3.vmp”. Then run the case. Note that the temperature profile is sig-
nificantly different when heat transfer is present. Save the case as “Depressuring Example 3 – 1.vmp”
Example 4 - Fire Heat Input

This case deals with a vessel with n-Pentane, pressured to 50 psia by fuel gas. Start with case “Depressuring
Example 4.vmp”, and add a Depressuring Assistant. The process data is
l Separator: L = 38 ft, D = 12 ft, horizontal, thickness = 0.5 in, level = 50%
l Separator conditions from stream /S1
l Relief valve: size L (3.317 in2), set pressure = 110 psig
The fire heat input data can be entered in the assistant (select Heat Transfer Config as Fire Heat Input) or in the
separator (Depressuring | Fire Heat Calculation). If you enter the data on the separator form, be sure to check
the Calculator Active box. The Heat Loss calculation should be set to Detailed. The vessel metal thickness is
entered in the assistant or on the Heat Loss tab, Detailed Heat Loss Layers.
For a Pop type relief valve, the fully open pressure is not needed, but the assistant form requires a value, so
enter the same value as the set pressure (110 psig).
The Fire Heat Input will be based on actual wetted area, and the correlation will be Q = 21000(Btu/hr)*A^0.82
(ft2). Thus, under the Fire Heat Calculation window in the depressuring tab, change Const 2 [Btu/hr-ft2] to
21000.
Change the Area Type to "Wetted Actual" in the Fire Heat calculation tab.
Click Finish
Save the case as “Depressuring example 4 – 1.vmp”.
The assistant created a stripchart for the vessel. A second stripchart for the vessel should be created to add
some additional variables. Go to Dynamics -> Historian and click on "Add", this will create a stripchart that will
be called Vessel_Heat_Transfer.
From the separator summary tab, add the separator %level. Go to the Heat Loss view on the separator and
expand the Walls Detailed node:
Drag and drop the inner and outer wall temperatures onto the stripchart, and similarly add the inner wall duty.
Double-click in the axis area of the Vessel_Heat_Trasfer stripchart. Change the span to 9000 s. Change the
scale for duty/power to -1e7 to 0 and the axis for temperature to 0 to 500 F.
Double-click in the axis area of the FLDepS_Vessel_VS1 stripchart. Change the span to 9000 s, the axis for
mass flow to 0 to 5e4, the axis for pressure to 0 to 200 psia, and the axis for temperature to 0 to 500 F.
Since the time frame for this simulation will be longer, other variables need to be changed. Right-mouse-click
on the stripchart and select View Historian. Change the number of data points to 9000 and the frequency to 1 s.
On the assistant, go to the integrator tab, and change the stepsize to 1s. Set the stop time to 9000 s.
Save the case as “Depressuring Example 4 – 2.vmp”. Run the case.
Example 5 – Add Flare Line

Recall the case Depressuring Example 4 – 2.vmp
On the System Configuration tab of the assistant, check the Has Vap Pipe box for the vessel:
The flowsheet changes accordingly.
A pipe segment of 1000 ft and 6” Sch. 40 piping will be used. Bring up the pipe view, and enter the pipe length
on the Summary tab. Then click on the Pipe Selection button at the bottom of the pipe view form, to select the
Pipe Dia/Schedule:
Change the Heat Loss Calc Type to Detailed. A Heat Loss tab will show up on the pipe form. Then go to the
Heat Loss Tab, Verify that the Inner HTC Corr is HTubeMix, and the Outer HTC Corr is FreeConvAir. Change
the number of sections to 10:
Go to the profile tab and click the Add/Remove button. Add Mach to the table:
Create a new stripchart, go to Dynamics -> Historian, click on "Add" and re-name it as Pipe_Segment. Drag the
Mach number for the last section (section 10) and the pressure for section 0 to the new stripchart.”
Double click on the stripchart and change the span to 9000. Change the axis for pressure from 0 to 100". Save
the case as "Depressuring Example 5.vmp"
Run the case. The stripchart has a large amount of data to update which slows down the simulation. You can
speed up the simulation by minimizing the stripchart until the run has completed.
Some observations:
l We are not experiencing choke in the line (The highest Mach number is about 0.51)
l The relief valve is chattering. This is caused by the buildup of back-pressure in the pipe. So, although the
pressure in the vessel is maintained within safe limits, there is a strong possibility of the relief valve sus-
taining damage. Going to a smaller relief valve is not an option, because then the vessel will over-
pressure. The solution to this is to use a Balanced Bellows type relief valve, which is not affected by back-
pressure.
Example 6 – Change PSV Type

Recall the case Depressuring Example 5.vmp. Set Balanced Design to Yes for the relief valve.
The balanced spring-loaded valve minimizes the effects of backpressure preventing the system from chattering
as it was seen in example 5:
Save the case as “Depressuring Example 6.vmp”. Run the case:
Example 7 - Multi-Vessel
In this example a second vessel will be added blowing into a common header. Continue from case Depres-
suring Example 6. The data for the second vessel will be similar to the data from Example 1, but the separator
will be bigger:
Vessel: L=15 m, D=3 m, N2, P=150 bar, T=290 K
Valve: Cv = 1.4, 100% open
Assume that all of the piping is 6” Sch 40, with detailed heat loss, HTubeMix. The individual discharge pipes are
100 ft, and the common header is 1000 ft. Use 1 section for the individual pipes and 10 sections for the common
header.
To add the new vessel, go to the System Configuration tab on the Assistant. Change the number of vessels to
2. Then check the Has Vap Pipe box for the second separator, and the Has Vaps Mixer box:
The flowsheet now looks like:
The data can be specified on the design summary tab:
Update the pipe data:
Right-mouse-click on the Pipe_Segment stripchart and select Add Variable. Select “VapOut_VS2|In|Mass
Flow”. Double click on the stripchart and change the axis for mass flow to 0 to 5e4. Save the case as “Depres-
suring Example 7.vmp”, and then run the case.
Example 8 - Event Scheduler

An event scheduler will be used to create a custom logic for the blowdown scenario. Start from “Depressuring
example 7.vmp”. The objective is to delay the blowdown of the second vessel until the relief valve on the first
vessel is 10% open.
Set valve VapV_VS2 %Opening to 0%. Add an Event Scheduler to the flowsheet. Click on the Add Sequence
button. Then select the newly created sequence in the tree view on the left of the form, and click the Add Event
button. Then select the Event in the tree view.
Click on the Var Name field for the Event, and select VapV_VS1 %Opening, make sure to un-check the "show
short list" check box. Set the Condition to be Greater or Equal, and set the target to be 10%.
Click the Add Action button. Then click on the Var Name field for the Action, and select VapV_VS2 %Opening.
Set the Target to 100%.
Click the Summary button to bring up the summary view. The Sequence is already highlighted, since it is the
only one. Click the Start/Stop Button.
Save the case as “Depressuring Example 8.vmp”. Run the case.
Example 9 - Pipeline Depressuring

The main objective of this example is to create a model for pipeline blowdown. In this situation, it is best to cre-
ate the model manually, without the use of the depressuring assistant.
Start with the “Depressuring Example 1.vmp” case. Add a new flowsheet to the main flowsheet, navigate to this
new flowsheet, then right click on the PFD and click Open Form. Rename it FLDepS and change the active
engine to Dynamics and then the execution mode to StdAlone. Also change the Stop Time to 150 seconds and
the Step Size to 0.1 seconds:
On the settings tab of the flowsheet form, change the Do Pipe Transient dP Calcs (in the Hydraulics section) to
Full
The next step is to create the PFD for the depressuring process. Begin by adding a stream to the flowsheet.
This stream will be used to initialize the pipe. Initialize the stream to T=100 F, P=3000 psi, Methane. It may be
convenient to change the unit system to Field.
Now add a valve to the stream outlet and then another stream. The valve will initialize from the values in the first
stream, and then the second stream will initialize from the values in the valve. Open each of the forms to verify
that the values propagated. Add a pipe segment, another stream, another valve, and finally an exit stream to
complete the PFD. Specify the pressure in the outlet stream to 1 atm.
The PFD should now look like this:
Open the V1 valve form, and change the opening to 0% and the Cv to 300. Open the V2 valve form, and change
the opening to 100% and the Cv to 300.
Open the pipe form and make the pipe 3000 ft, 12” sch160, Detailed Heat Loss, 10 sections.
Right-mouse-click on the pipeline, and select Create Strip Chart. Add variables to monitor. Suggested vari-
ables: process and wall temperatures (Section 10) at the end of the pipe. Set the stripchart span to 150 s, and
the Stop Time to 150 s. Save the case as “Depressuring example 9.vmp”.
It is also useful to analyze how the pressure profile develops in the pipe. To view this, go to the Plot tab of the
pipe form, and change the Y-Axis to Pressure. This graph will update during the simulation.
Run the case. The pipeline will depressurize through valve V2 at the end of the pipe.
Compressor Train Assistant

Compressor Train Assistant
Examples Rotating Equipment\Compressor Train\Compressor Train
Example.vmp
Rotating Equipment\Compressor Train\CompressorTrain.vmp
General
The Compressor Train Assistant creates a default Compressor Train of 1 stage, compiles the configuration
parameters in the System Configuration tab, displays the most common design variables in the Design sum-
mary, and finally shows the most relevant information inside the Performance Summary tab.
The Compressor Train Assistant can be divided into 5 main sections:
System Configuration:
This section is used to change the layout and configuration of the system once it is created with the default val-
ues.
Design Summary:
Displays the most common design data per unit operation.
Performance Summary:
Displays the main data from each unit operation.
Integrator:
Displays the integrator variables.
Create a Compressor Train Assistant.

Navigate to the Assistants Menu.
Select the Flowsheet Assistant Manager option, this will cause the following form to appear.
Change the flowsheet type to “Compressor Train” and press Create, the flowsheet assistant manager will cre-
ate a new Dynamics Flowsheet with Compressor Train Assistant, inside the Main Flowsheet.
In this step the Compressor Train Assistant will create one compressor with a default of one stage.
Open an Existing Compressor Train Assistant

Right Click
Right click in the flowsheet with assistant and click on Open Assistant.
Using Flowsheet Assistant Manager

Navigate to the Assistants Menu.
Then select the Flowsheet Assistant Manager option.
In the new window select the Flowsheet Type to be Compressor Train and go to the Open tab. All the flow-
sheets with Compressor Train Assistant will be shown in the list. Double click on the desired flowsheet or select
it (by clicking once) and then click the Open button.
System Configuration
In this window the configuration can be modified.
Number of Trains
Change the number of trains.
Compressor Train Parameters

Shows the information per Compressor Train.
Number of Stages
Sets the number of stages.
Has Level Control

Select to add level control to the front section of the Compressor Train.
Shaft Connected
Connects/disconnects the shaft of the rotating equipment.
Driver
Creates the Driver section and connects the shaft to the compressor of the first stage. Sets the train shaft’s
driver (Motor, Turbine, Disabled).
Stage Details
This section displays the information of each stage.
Has Surge Loop

Select if a surge loop is present after the stage separator.
Surge Connection Stage

Sets which separator the Surge Loop is connected to. This value is 0 if is going to the front separator and any
other connects to the separator of the matching stage.
Has Level Control

Select if the separator in a given stage has level control.
Design Summary
Displays the most common design and initialization data per Unit Operation.
Performance Summary
The performance summary displays the main data from each unit operation. The available summary frames are
listed in the View section. By selecting them, they will appear to the right.
The View section can be hidden by clicking the arrow button.
Integrator
The Integrator Tab shows the Integrator Data and the Integrator Log.
Stop Time
Sets the time when the Integrator will be auto stopped.
Integrator Time
Displays the actual integrator time.
Run/Stop
The Run button runs the case, and while the case is running it changes to a Stop button.
Reset
The Reset Button resets the integrator and the initial conditions to time 0.
Note that when the Reset button is pressed, the data from Data Sets and strip charts are not deleted, the data
will be deleted after the integrator runs again.
Assistant Utilities
This section will be explain some simple utilities that may help during the simulation.
Auto Strip Charts

When the Compressor Train system is created, it creates and opens one strip chart per vessel by default.
Historian Button
This button is a short cut to open the Historian, where the strip charts can be configured and the data set tables
can be accessed.
Click on Unit Operation Labels to Open the Form

Click on the Unit Operation blue labeled cells to open the respective unit operation’s form.
Right Click to Open Form

This short cut opens the form of the selected unit operation, to use it right click in the first row of the desired unit
operation.
This right click short cut can be used in all the frames inside Summary and Specs Summary tabs.
Right Click to Show Strip Chart

This short cut opens the Strip Chart of the selected Unit Operations if one already exists or creates a new one if
it doesn’t. All the unit operations have a default set of variables for strip charts.
To use this short cut, right click in the first row of the desired unit operation.
This short cut can be used in all the frames inside Summary and Specs Summary tabs.
This same feature is available by right clicking in any unit operation in the PFD
Modeling Compressor Trains

Compressor trains are an important and expensive part of many processes. Dynamic models can assist with
verifying performance under different conditions, including startup/shutdown and trip scenarios.
Illustration Case
The illustration case is a three stage compression train. We start from the basic steady state specs, construct a
steady state model, and then use the information to construct a dynamic model.
The requirements are:
l Feed 100 MMSCFD, 70% C1, 20% C2, 10% C3, 90F, 150 psig
l Delivery 3100 psig (downstream pressure 3000 psig)
l Three stages, 80% polytropic efficiency
l Interstage cooling, 110F, 5psi pressure drop
l Stages 1 and 2 on same shaft, motor driven. Motor speed 3600 rpm, compressor speed 10800 rpm
l Recycle flow from stage 3 to stage 2, and from stage 2 to suction
l Isolation valves at suction, between stages 2 and 3, and delivery
l Emergency blowdown from HP side of stages 2 and 3
Create The Steady State Case

Start with a new flowsheet, add C1/C2/C3 and select Advanced Peng Robinson.
To complete the steady state design, we need the interstage pressures. The easiest is to assume the same
compression ratio for each stage (including the cooler pressure drop). This gives 2.69 and 2.68 for the first and
second stage respectively, and a calculated value for the third stage of 2.67.
Create The Dynamic Flowsheet

The dynamic flowsheet will be created using the Flowsheet Assistant. Select “Assistants” | “Flowsheet Assist-
ant Manager” from the menu and then change Flowsheet Type to be Compressor Train:
Press the Create button, and a default flowsheet with a single compressor stage will be created:
The Flowsheet Assistant gives the opportunity to change and customize the flowsheet as well as to enter data:
We need three stages for our model, so change the number of stages to three in the assistant. We also want a
single recycle from the discharge of Stage 2 back to the suction, so uncheck “Has Surge Loop” for Stage 1 and
change the “Surge Connection Stage” for Stage 2 to be 0:
Our flowsheet now looks like this:
Populate Equipment Data

We have a significant amount of data which needs to be supplied before the model can run. We will also have to
customize the model a little. We can use the flowsheet assistant as a central location for specifying most of the
data.
Compressor Stages
The necessary data for the compressor stages comes from the steady state simulation. In dynamics, we will be
using the simple curves option, which requires only a design point, since we do not have detailed curves avail-
able. We will assume that the surge point is at 50% of design flow and the stonewall/choke point is at 150% of
design flow. The design speed is 97% of the nominal speed, since the motor will run at about 97% of syn-
chronous speed.
Cooling and Separation

The cooler volumes are estimated based on a 3 second residence time. The separator diameter is estimated
based on a 2 ft/s maximum velocity, and a L/D of 2. The cooler k will be back-calculated later. There is no liquid
knockout predicted, so, for the moment, we set the valve type to equal percentage, and resize the valve later if
required.
Surge Control
The surge controllers are, by default, in manual. We set the output to 100%, so that we start with maximum
recycle. We need a size for the recycle valves. There are a number of ways of doing this: one easy way is to
clone the out port on the cooler outlet stream in steady state, and add a valve with the required pressure drop,
and 80% open. The PV Max for the surge controller comes from the choke flow for the compressor stage. We
will need surge control for stage 1 as well, but we will add that later.
Front Section
We need to specify the feed conditions. If we assume a 10 psi drop across the suction valve, the feed needs to
be at 160 psig. Sizing the suction valve for the required flow at 70% open gives a Cv of 3000. The separator is
sized for a 2 ft/s vertical velocity. The feed flow is not specified – it will be calculated from compressor per-
formance.
Driver Section
The motor needs to have “Use Torque Curve” enabled, which can be set by double-clicking on the motor name
and then going to the Curves tab on the motor form. The Full Load Torque is calculated from the combined
power requirement for stages 1 & 2, and assuming 97% of design speed for the motor operating speed. The
Full Load Amperage is not required, but is supplied for completeness.
Other Items
We need a few more items before the model will run. We need to add a motor for the third stage. We configure
“use Torque Curve” and set the design torque to match the third stage power. From the Shaft tab on the third
stage compressor, we disconnect it from the second stage compressor, and connect it to the new motor
instead.
We also need to configure the high pressure discharge. We do this by adding a control valve, and a pressure
controller:
Starting The Model

If you’ve set up everything as per this document, the model should be ready to run. If you want a safety check
before you run, you can bring up the integrator tab on the assistant, and then press the specification analysis
button.The overall flowsheet looks like:
Start the integrator. The model should line out with the pressure controller controlling at 3100 psig. The flow
through the system will be significantly below design, because the recycle valves are fully open. For each of the
two surge controllers, switch the controller from Manual to Auto. The recycle valve position should go to zero,
and the flow through the system should settle out close to design.
Stop the integrator.
Next Steps
We now have a dynamic model, running, matching our design case. However, we want a model that we can
use to test startup/shutdown/trip conditions. The current model has some limitations which would prevent us
from doing that:
l We don’t have surge control for the first stage
l We haven’t specified any data for rotating equipment inertia or friction
l We don’t have isolation or blowdown valves
l We need an event scheduler to construct trip response sequences
First Stage Surge Control

We need to do surge control on both the first and second stages, but we have only one control valve. To do this,
we must add an additional surge controller SC_T1S1, and then pass the outputs through a high select SEL1:
For SC_T1S1, choose CP_T1S1 as the compressor
Then, disconnect SC_T1S2 from V_T1S2, and connect SEL1 output with the % opening of V_T1S2.
Inertia And Friction

Data on inertia for motors and compressors is supplied by the vendors. Since we do not have the information,
we will leave the default values supplied by the simulator. Friction is expressed as torque, and has two parts:
static and dynamic. The dynamic value is multiplied by the rotational speed in rad/s to calculate the torque. We
will assume a static friction of 0.25% of rated torque, and a dynamic contribution of 0.5% at design speed. For
instance, for the first/second stage motor, this gives:
Isolation And Blowdown Valves

There are a number of parts to these changes. One problem that we have is that the surge control line comes
off of the high pressure receiver. Since the high pressure receiver is, in most cases, also the suction pot for the
next stage, we need to place the isolation valve in the feed line to the receiver, and this means that the surge
control line branch point has to move to upstream of the isolation valve:
We will need an isolation valve in the feed line, the second stage discharge, and the third stage discharge. We
will need blowdown valves on the second and third stage discharge. The isolation valve should be sized for no
more than 5 psi when fully open. We will probably use full-port or reduced-port ball valves.
Once the “hardware” has been configured, we will need to add an event scheduler to set up scenarios, and to
open and shut the isolation and blowdown valves.
Step 1 – Install Valves
For the LP suction, we select a 6” Full Port Ball Valve, with a stroke time of 5s, and a linear behavior, since there
will most likely be a stepper motor. This gives about 1 psi of pressure drop.
For the second stage delivery block valve, we select a 3” Full Port Ball Valve. This gives a pressure drop of
about 2 psi. For the blowdown valve, the size is a function of the system inventory and the required blowdown
time. For this scenario, we select a ½” Reduced Port Ball Valve in a 2” line.
For the HP delivery block valve, we select a 3” Reduced Port Ball Valve, which gives a pressure drop of about 5
psi. For the blowdown valve, we select a ½” Reduced Port Ball Valve.
Event Scheduler and Trip Sequences

Since there are two drivers, there are two different trip scenarios. We will examine the first in detail, and leave
the second as an optional exercise. A trip sequence comprises the following parts:
l Detect a trip condition (speed below trip point)
l Shut all isolation/block valves (includes stages that have not tripped)
l Open blowdown valve for tripped stage
To accomplish this, add an event scheduler to the flowsheet. Add a new sequence to the event scheduler. Add
a new event to the sequence, and set the condition for the event to be that the motor speed drops below 3300
rpm. Add four actions to open and shut the necessary valves. Use the start/stop button on the sequence to
make it active.
Create any stripcharts needed to monitor events. Run the model, and then set the switch for Mtr_T1 to Off, and
observe the response.
Creating a Compressor Train using the Flowsheet Assistant

In this example the Compressor Train flowsheet assistant will be used to create, configure and run a Com-
pressor Train with 2 stages.
This example will assume that the user has already read the Compressor Train Assistant section.
Start a new VMGSim case, and select the Advanced Peng Robinson property package with methane as a com-
ponent.
Switch the unit set to Field.
Now create a Compressor Train Assistant.
Go to the menu Assistants -> Flowsheet Assistant Manager
Set the Flowsheet Type to be Compressor Train
Click on the Create button
This is the view of the PFD after Compressor Assistant finishes creating the compressor train with one stage:
And the Compressor Assistant form will appear as follows,
Set Train_1 to have 2 stages, uncheck the shaft connected check box and disable the Driver.
Go to the Design Summary to set the Initial Values.
Start with the Feed and the Exit of the train
Open the Front Section node:
Open Main Feed node:

Main Feed P = 25 psia
Open Main Valve node:

Cv Main Valve =2000
%Opening Main Valve = 100
Open Separator node:

Open Holdup node:
Set P = 25 Psia
Open the Outlet Stream node:

P = 50 psia
Open the Stages frame and open the Compressor node and enter the following values:
Open the Cooler node and initialize the pressure in the coolers holdup to be 35 in C_T1S1 and 50 in C_T1S2.
Remove the OutQ specifications and set the Out temperatures to be 90 F.
Open the Separator node and initialize the pressure in the holdup as 35 in Sep_T1S1 and 50 in Sep_T1S2,
Open the Surge Equipment frame and specify the following values,
The case is ready to Run.
Unit Operations
Air Cooler
Air Cooler
Main Flow sheet
PFD Stencil
Examples Heat Exchange\AirCooler.vmp
General
The Air Cooler unit operation behaves like the conventional VMGSim Cooler unit operation with the additional
capability of linking with either ACX or HTRI Xchanger Suite (provided the user has an up-to-date licensed ver-
sion of the ACX and/or HTRI Xchanger Suite software).
Schematic / Connections
By clicking the Schematic / Connections Node you can view a schematic diagram and connections of the Air
Cooler.
Number of Segments
This defines the number of segments used for calculations in the Air Cooler. The default value is 5 segments.
The number of segments can be increased if more detailed information is required.
Summary (Tab)
Main Data
By default the Main Data frame will contain the following information that is either specified by the user or cal-
culated by the Air Cooler.
OutQ
The energy stream out of the Air Cooler.
OutT
The temperature of the process stream leaving the Air Cooler.
Delta P
The pressure drop over the Air Cooler.
Delta T
The temperature drop over the Air Cooler.
The following figure shows the Main Data frame with both the Calc Sub Cooling and Calc Super Heat options
enabled.
Deg Sub Cooling

If the Calc Sub Cooling is enabled (click Advanced node) this signal will be added to the Main Data frame. Deg
Sub Cooling is the difference between the temperature at the outlet of the cooler and the bubble point
temperature at the outlet pressure.
Deg Super Heating

If the Calc Super Heating is enabled this signal will be added to the Main Data frame. Deg Sub Heating is the dif-
ference between the temperature at the outlet of the cooler and the dew point temperature at the outlet pres-
sure.
Advanced
The Advanced frame contains the Rating Engine mode and check boxes to enable/disable calculations that are
performed by the Air Cooler. By default, this frame is closed, but can be opened by clicking on the node.
Rating Engine
Pull down menu that allows the user to select the Rating Engine mode. When a mode other than NoRating is
selected, an extra tab will be created for the selected option.
Calc Sub Cooling

When Calc Sub Cooling is enabled, the Deg Sub Cooling signal will be added to the Main Data frame.
Calc Super Heating

When Calc Super Heating is enabled, the Deg Super Heating signal will be added to the Main Data frame.
Air Side
The Air Side frame is concerned with the air flow. The Air Cooler does not require air side information to solve
for the process side of the unit. When the Air Cooler has sufficient information, either specified in the Air Side
frame or calculated through a rating option, data related to both the air and process sides of the unit will be cal-
culated. The Air Side frame contains the following information.
Air Flow
Mass flow rate of air through the Air Cooler.
Air Inlet T
Temperature of air to the air cooler.
Air Outlet T
Temperature of air leaving the Air Cooler.
Delta P
Pressure drop of the air across the Air Cooler.
Heat Transfer
The Heat Transfer frame calculates the UA and LMTD between the air side and process sides of the Air
Cooler. This information requires both the process side and the air side of the unit to be solved in order to be cal-
culated.
UA
Product of overall heat transfer coefficient and heat transfer area.
LMTD
Log mean temperature difference between the air side and process side of the Air Cooler.
Material
This frame shows the connected objects and material port information.
Profile (Tab)
Allows user to view selected properties for each segment in the AirCooler. The defaults are pressure, energy
accumulated by the energy stream and the enthalpy of the solution.
Add/Remove
Allows additional properties to be added to the Profile Table. The > and < adds or removes the selected prop-
erties and the >> and << buttons will add or remove all of the available properties.
Plot (Tab)
Allows a selected property to be plotted and viewed
X-Axis
Pull down menu to change the X-axis variable being plotted.
Y-Axis
Pull down menu to change the Y-axis variable being plotted.
Properties
This pull down menu changes the options displayed in the X and Y axis pull down menus. If Installed Properties
is selected, the axis options will be the properties that are available in the Profile Tab. If the option is set to All
Properties, the menus will display all of the available properties.
Plot Window
The size of the plot window can be increased by clicking the right mouse button. This action will make the plot
window occupy the entire Plot tab and cause the plot controls to disappear. To make the plot controls reappear,
right click on the Plot window. To zoom into a section of the plot, click the Plot window and hold the left mouse
button down while dragging the mouse to form a zoom window. Press the Esc key to unzoom.
Plot Control
Check Boxes
User can toggle several basic plot window configuration items. For example, switching between a Black &
White or Color plot or switching the y-axis between a linear or logarithmic scale.
Advanced…
Allows for more advanced configuration of the plot window; clicking the Advanced… button will bring up the fol-
lowing form:
Save As JPG…
Saves the plot as a JPEG image file to a user specified directory.
Copy
Places a bitmap copy of the plot into the clipboard so it can be pasted into other applications.
Print…
Prints the plot to a user specified computer.
ACX Link (Tab)

This tab is created when the Rating Engine is set to ACX. The AirCooler sizing, rating and evaluation can occur
outside or within VMGSim using the ACX program developed by Heat Transfer Consultants, Inc. (HTC). Three
options exist: live link, file export or a built-in solver. More detailed information regarding the ACX Link can be
found in the ACX Link Section of the manual.
HTRI Link (Tab)

This tab is created when the Rating Engine is set to HTRI. The AirCooler allows sizing, rating and evaluation to
occur outside or within VMGSim using the HTRI Xchanger Suite developed by Heat Transfer Research Inc.
(HTRI). Three options exist: live link, file export or a built-in solver. More detailed information regarding the
HTRI Link can be found in the HTRI Link Section of the manual.
Air Cooler Example

In this example the AirCooler unit operation will be used to determine the duty required to condense a hydro-
carbon stream.
Open a New VMGSim project and select the Advanced_Peng_Robinson property package. Add methane, eth-
ane, propane, isobutane, n-butane, isopentane, n-pentane, n-hexane, n-heptane and n-octane. Switch the unit
set to Field. Create a material stream and specify it as shown below.
Create an AirCooler Unit operation, Connect S1 to it’s in port and specify the pressure drop to be 5 psi and Out
port vapor fraction to be 0. The AirCooler will solve and should appear as below.
Switch to the Profile Tab and press the Add/Remove button. Add the VapFrac and T properties by selecting
them from the available properties list and clicking the > button. Then press the OK button.
Change the Number of Segments to 10 by clicking on the Number of Segments text box and pressing enter
after changing the value. Your Profiles tab should be similar to the one below.
Switch to the Plot tab and change the plotted variables using the X-Axis and Y-Axis pull down menus. An
example plot is shown below.
Air Cooler Rating

Air Cooler Rating
Main Flowsheet
PFD Stencil
Examples Heat Exchange\ACRatingCondenser.vmp
The air cooler operation contains a built-in rating function as an alternative to the HTRI and ACX live links. Sim-
ilar to the heat exchanger rating feature this rating does not have the extent of options or complexity found in the
externally linked software packages, but does allow for the prediction of air cooler pressure drops and an over-
all energy exchange. Built-in pressure drop and film coefficient multiplier signal ports to the rating equations
also enable the user to better match available plant data. In this respect, this rating tool is not meant for the
design stage and should be used for rating purposes only.
Note: The inlet material port and the geometry of the air cooler must be fully defined for the rating solver to func-
tion.
Configurations
Currently both cross (side-to-side) and counter horizontal flow are available in the air cooler rating mode
(assuming a rectangular air cooling bay) with or without transverse fins. The fin types available support single
and overlapped L-foot, grooved-in, extruded, welded-soldered, and metal-coated. An example of the fin selec-
tions and provided schematic is shown below.
To enable the internal rating function, select the “VMGSim” option from the Rating Engine heading contained in
the “Advanced” frame on the “Summary” tab.
Process Side Pressure Drop Calculation

The process side pressure drop calculation in the air cooler combines four separate terms as shown below.
The summation of these terms is then multiplied by the tube pressure drop multiplier signal value (default value
= 1.0).
Where,
DPlength = Pressure drop of all tube length passes. Either a 1 or 2-phase pressure drop correlation can be
used and is selected from the “Rating” tab as shown below.
DPcontract = the pressure drop due to the contraction of material at the front end as fluid enters the air cooler
bundle is calculated using the homogeneous model (Hewitt et al., 1994). A homogeneous multiplier in the cal-
culation accounts for 2-phase situations.
DPexpand = the pressure drop due to expansion of material at the end as fluid leaves the tubes of the bundle is
also calculated using the homogeneous model (Hewitt et al., 1994). The homogeneous multiplier used in the
contraction calculations is also used to account for expansion in 2-phase situations.
DPnozzles = inlet and outlet tube nozzle pressure drops are calculated if the nozzle diameters are provided and
the “Include Nozzle Pressure Drops” option is selected. The calculations are based of methods by Kapale and
Chand, (2005).
Note: If “Set_To_Minimum_P_Value” is selected then the outlet pressure will be consistent with the minimum
pressure drop value given for the associated process side on the rating flowsheet.
Airside Pressure Drop Calculation

No Fin Tubes
The pressure drop calculation follows the method outlined by Hewitt et al. (1994) for cross flow in tube arrays
and is composed of both an acceleration term and a frictional term.
The equation, which expresses both terms with respect to velocity head, uses the estimation methods for the
acceleration term as outlined in Kays and London (1984). This accounts for the entry and exit pressure losses
related to the tube bundle based on free flowing cross sectional area.
The friction term (generalized as a correction factor) accounts for the Reynold’s number and tube layout as out-
lined in the Heat Exchanger Design Handbook (1983).
Transverse Finned Tubes

When transverse fins are selected on the tubes within a heat exchanger the pressure drop calculation follows
methods outlined in Engineering Sciences Data Unit (1984) for low-fin tubes. For high-fin tubes the methods in
Engineering Sciences Data Units (1986) are used. These methods are limited in best accuracy to Reynold
numbers roughly between 500 and 100000.
Airside Property Calculations

All calculations related to the airside of the air cooler rating feature are completed with values based off the
Advanced Peng-Robinson property package. The properties include heat capacity, mass density, molecular
weight, and thermal conductivity. These values are fitted to a temperature range between 180 – 340 K and a
pressure range between 0.5 – 10.0 atmospheres.
Properties calculated are also a function of the relative humidity input, which is taken at the pressure and tem-
perature at the inlet of the air cooler’s airside.
Overall Energy Exchange Value

The overall energy exchange value is placed into the “OutQ” signal port of the air cooler operation once cal-
culations have finished. This value of energy exchanged is calculated using the corrected mean temperature dif-
ference and internal UA value calculated. The overall UA value predicted by the air cooler rating mode is
calculated using the following equation,
Where,
U = The overall heat transfer coefficient accounts for both airside and process side heat transfer film coef-
ficients (ha, hp), both airside and process fouling factors if provided (fa, fp), and the tube material heat transfer
rate (k) with a given tube thickness (xw). The equation used for this calculation is shown below (Perry and
Green, 1997). It can be seen in the equation below that the process fouling factor is given with respect to the
inside area of the tube.
In the “Output” values given within the rating tab the “U Value” provides the fouling, or actual, heat transfer coef-
ficient including all “Rating Multiplier” effects. The “Corrected U Value” also includes the “F Correction Factor”
to the overall heat transfer calculated.
When transverse fins are specified on the tubes the heat transfer equation for the process side takes form as
shown below. In this equation the fin material and geometry is taken into consideration.
Ao = The available surface area, which is calculated as the total surface on the outside of the tubes.
Fcorr = This correction factor accounts for configuration effects for multiple tube passes and multiple bundle
tube rows. Plotted references for this factor can be found in literature including the Heat Exchanger Design
Handbook (1983) and Hewitt et al. (1994).
Note: Thermal resistance from the connection between the tube and fins is not considered in the heat transfer
calculations.
Overdesign Percentage
When multiple tube passes are specified the resulting configuration allows reverse heat transfer zones to form
as tube flow switches from counter-current to co-current, with respect to the airside material (refer to heat
exchanger overdesign manual section for related image).
In addition, multiple tube rows in a bundle cause heat transfer limitations. As shown in the image below this is
due to reduction in temperature difference between the airside and process side as the air flows through the
tube rows and increases in temperature before it reaches the rows further back.
In both of these heat transfer limited situations, the rating mode removes the extra surface area associated and
reports an overdesign percentage in the calculated output.
Air Cooler Rating Options

There are several options offered in order to better represent the air cooler configuration being modeled. The
following section discusses each of these.
Overall Layout
Flow Type = The type of flow configuration is selected here and can be chosen as either counter or cross (side-
to-side) flow. The entered number of Tubes Per Tube Row is always maintained regardless of the selected
flow type. The current rating only allows one tube row per pass in counter flow configuration and the Tube
Rows Per Bundle will be set equal to the Tube Passes Per Bundle when selected as such.
Fin Type = The type of transverse fins on the tubes can be selected here. Options of fins include single or over-
lapped L-foot, grooved in, extruded, welded-soldered, and metal-coated. The type of fins selected effects the
fin efficiency calculation, overall surface area, shell side pressure drop, and average velocity of material through
the shell side.
Tube
Tube Material = Different tube materials can be selected and the thermal conductivity value used to calculate
UA will change accordingly. Note that the effects of tube material are usually small and can be ignored com-
pletely by setting the material selection = “Ignore_In_UA_Calc”.
Pitch Type = Triangular or square pitch tube bundle layouts are available. The layout will affect both the airside
pressure drop and heat transfer rates.
Pitch = The distance from tube center to center perpendicular to the air flow is entered in this cell. The tube
pitch in direction of air flow is calculated internally for calculations depending on the pitch type as shown below.
Tubes Rows Per Bundle = The number of tube rows used in each bundle of the air cooler (displayed in the
image below).
Tubes Per Tube Row = This value indicates the number of tubes in each tube row (displayed in the image
below).
Tubes Passes Per Bundle = This value indicates the number of tube passes within the air cooler. The cur-
rent rating only allows one tube row per pass in counter flow configuration and the Tube Rows Per Bundle will
be set equal to the Tube Passes Per Bundle when selected as such (displayed in the image below).
Length Per Pass = The length of each tube pass through the air cooler bay.
Airside
Air Mass Flow Rate = The flow rate of air through the airside of the air cooler is entered here. Air face velo-
cities or actual air velocity through the tube bundles can be matched using output values calculated from a
solved rating operation.
Air Cooler Elevation = This value gives the elevation of the air cooling unit and effects the internally calculated
pressure of the airside. This pressure is ultimately used to calculate air properties for the rating solution.
Air Relative Humidity = This value provides the relative humidity of the air being used in the air cooling unit.
Similar to the elevation input this value is used to calculate airside properties used for the operation’s solution.
Sealing Device = this option can be used if sealing devices (i.e. corbels, half dummy tubes) are to be installed
inside the air cooler bay. This reduces the amount of bypass around the tube bundle.
Automatic Calculations
Include Nozzle Pressure Drops = Ignoring the pressure drops across the inlet and outlet nozzles can be
done by un-checking this option. In this situation the nozzle diameters do not need to be provided for the rating
calculations to start.
Fins
Fin Material = This option selects the material used to make the fins. The metal type selected changes the
properties used for internal calculations related to the fin’s heat transfer such as the thermal conductivity.
Fin Height, Thickness, and Spacing = These entries define the geometry of the fins being used for the
exchanger’s configuration.
Note: Low-fin to high-fin transition within the internal heat transfer calculations occur between 0.2 < (Fin Height
/ Tube Outside Diameter) < 0.33.
Heat Transfer Film Coefficient Zones

The method used to calculate heat transfer film coefficients is dependent on the area of interest (airside or pro-
cess side) and the heat transfer mechanism(s) involved (eg. sensible heating, condensing, and boiling). Only
sensible heating is considered on the airside and no condensing or boiling is assumed to take place.
Similar to the exchanger rating solutions an initial process side and airside side temperature in the internal
solver determines the temperature at the tube wall using an iterative procedure. Note that the wall temperature
is assumed to be constant throughout the bundle.
In situations where heat transfer correlations need material properties at wall temperature the internal solver
tracks radial changes in temperature. This radial temperature prediction becomes an iteratively calculated
value as other properties increase or decrease towards a converged value.
The process side is internally segmented into heat transfer zones and the relevant calculations are performed
for each of these sections (including transition regions). The various heat transfer zones and corresponding
methods to determine heat transfer film coefficients are given in the following sections.
Process Side Sensible Heating

The heat transfer film coefficient for sensible heat is calculated using the same methods as outlined in the heat
exchanger rating section of the manual.
Process Side Condensing

The heat transfer film coefficient for condensing zones is calculated using the same methods as outlined in the
heat exchanger rating section of the manual.
Process Side Boiling

The heat transfer film coefficient for boiling zones is calculated using the same methods as outlined in the heat
exchanger rating section of the manual. This includes the same checks for maximum heat flux limited situ-
ations.
Airside Sensible Heating

Plain Tubes
The sensible heat transfer film coefficient for the airside is calculated using the Bell-Delaware method (Hewitt et
al., 1994). The generic equation for transverse flow across tubes is given below.
This equation accounts for tube layout configurations as well as temperature differences from the wall to the
bulk fluid.

The overall airside heat transfer coefficient for transverse fin situations takes the general form of the equation
shown below.
In this equation the efficiency of the fins, hf, is calculated using a modified one-dimensional solution from
McQuiston and Tree (1972), which attempts to take into account the Bessel function behavior associated with
these types of solutions. An additional correction factor is also included that accounts for tapered versus rect-
angular fin types given in Zukauskas (1981).
Low-Fin Heat Transfer

The method used to determine the airside heat transfer coefficient for in-line and staggered low-fin con-
figurations follow those outlined in Engineering Sciences Data Unit (1984).
High-Fin Heat Transfer

When staggered tube arrays are selected the method used to determine the airside heat transfer coefficient for
high-fin configurations follows those outlined in Engineering Sciences Data Unit (1986). The methods defined
by Schmidt (1963) are used for high-fin configurations when in-line tube arrays are selected.
Note: The resulting output airside film coefficient and area are both given with respect to the extended surface
when fins are implemented.
Multi-component Considerations
Liquid and vapor phase properties can change significantly with composition in multi-component systems.
These effects are accounted for in all rating calculations in each of the respective regions.
In boiling and condensing sections it is assumed that heat transfer is not altered by mass transfer rates. This
can cause the resulting film coefficients to be over-predicted in some situations, such as when non-con-
densable gases exist within a condensing region. For this case and others, the heat transfer multiplier should be
used in order to match any available experimental or plant data.
Air Cooler Rating Parameters

When the “VMGSim” rating mode has been selected three parameters become available to the user in the Set-
tings tab of the air cooler form to allow for more customized solutions. A description of each of these parameters
follows.
Tolerance
This parameter specifies the minimum amount of variable change in one iteration before the rating solver is con-
sidered to be converged. The variables included are: the Fcorr factor, overdesign percentage, vapor fraction in
the tubes, and outlet temperature in the airside and process side.
Max Iterations
This parameter sets the number of iterations that will be attempted in the internal rating mode solver. In the
case where the maximum number of iterations is surpassed, the exchanger will return as unsolved with a warn-
ing message displayed in the rating area message bar.
Forced Conv Iterations

This parameter sets the number of normal iterations that occur before the solution begins damping the internal
rating steps to force a solution to be reached. Usually around 20 to 40 extra iterations occur above the set num-
ber of forced convergence iterations before the solution is reached. This setting should not be used if there is
any overdesign calculated for the air cooler normally.
Min Side0 Outlet P

This parameter sets the minimum allowable pressure outlet value for the tube side. The outlet pressure will
remain at this original value in instances where the air cooler rating mode calculates values less than the given
value.
Fan Duty
The energy demand of the air cooler fan is not equivalent to the heat transfered from the process. The fan duty
is calculated using the correlations outlined in the Handbook of Mechanical Engineering Calculations (1998).
Air Cooler Rating Condenser Example

Overview
In this example, an air cooled propane condenser bay will be simulated. Select the APR property package with
component: Propane. Enter the flow sheet environment and add an air cooler operation. In this case the air
cooler inlet conditions will be defined as shown below.
Select the “VMGSim” rating option under “Rating Engine” in the “Advanced” frame. This will result in a solved
air cooler from provided default values. Change the geometry under the “Rating” tab as shown below including
selection of single L-foot type transverse fins on the tubes. The thickness and spacing of the fins given below
will result in a fin density equivalent to 10 fins per inch.
In addition, the default diameters of the inlet and outlet tube side nozzles are calculated to provide a nozzle velo-
city of ~2.0 m/s with a given inlet volume flow rate. These can diameters can be decreased without large pres-
sure drop penalties to 8.0 inches.
If the effects of ambient temperature on this specific air cooler is desired a case study can be set up as shown
below. All airside conditions are available in the parameters included within the “Airside Input” frame seen
above as part of the “Rating” tab. With the air inlet temperature being altered as the Independent variable the
Dependent variables of interest can be selected and the case study can be run. The resulting views are shown
below.
For all points in this case study to work smoothly the number of maximum iterations for the air cooler rating
option must be set to 400 and the tolerance should be set to 0.005. Both of these settings can be found in the
“Settings” tab of the air cooler operation form.
From the plots given in the case study it can be seen that temperatures above the process side of 104.3 F will
begin to add energy to the air cooler instead of remove energy. At this point, since phase change is not taking
place on the process side, an increase in temperature can be followed.
ACX Link
ACX Live Link
Main Flowsheet
PFD Stencil
Examples Heat Exchange\ACX-Case1.vmp

Heat Exchange\ACX-Case2.vmp
General
Sizing, rating, pricing and evaluation of the air cooler unit operation can occur outside or within VMGSim using
three options: a built-in solver, an ACX live link and an ACX file export. ACX is software developed by Heat
Transfer Consultants, Inc. (HTC).
Note: The air cooler operations in VMGSim must be fully solved for either the file export or live link to work.
File Export
Using the file export the user may generate a hot (.HOT) side file that can be imported into the ACX software.
The File Export option does not require the HTC software to be installed locally, unlike the ACX live link and
built-in solver options.
An image of an air cooler’s “ACX Link” tab is shown below. To access this tab the “Rating Engine” parameter
for the unit operation needs to be set to “ACX”. In the form it can be seen that no ACX dongle was found on the
local computer and the message bar states as much. If no ACX software is detected the status bar will give this
information accordingly.
From the “ACX Link” tab, press the “Export File” button for a prompt to specify the export file name and location
as shown below. The unit set used in the file export is determined by the ratio button at the top of the
“STX/ACX Export” tab view. Either “SI” or “ENG” (English) can be selected, which correspond to two of the
default unit sets in the HTC software. If “MET” (Metric) is selected the export file will be generated with SI units.
Once the .HOT file export has been successfully completed values placed in the newly created export file will
appear in the bottom ACX Link Export area. Included in the first column is the description of the values and
what units were used in the export generation.
Note: Up to 13 decimal places are given for each value in the exported files, although only 4 decimal places are
shown in the bottom ACX File Export area.
In the blue text message above the output values in the ACX File Export area, any problems or errors that might
have been encountered while creating the export files will be displayed. In this example the message warns
that the thermosiphon slope was not calculated. The image below shows this along with the top section of a
populated ACX File Export area.
Once the .HOT file has been exported it is ready for import into the ACX software. From the ACX interface, this
is done by using the pull down menu as shown in the follow image.
For the ACX software, only the .HOT file needs to be imported and the cold side will automatically be calculated
as air.
Live Link
If the ACX software and dongle are on the user’s computer, a live link between VMGSim and ACX may be
established. If either the software or dongle is not detected then the live link view is disabled and a message will
appear in the link area stating the status.
If ACX has been detected, the live link area will be enabled and a link between the VMGSim air cooler and ACX
may be created by checking the “Create ACX Case” check box. An image of the screen view after a case has
been created is shown below.
Once this check box is selected the ACX interface will appear and all of the VMGSim process information for
the air cooler will be passed into the ACX program automatically.
Note: If the “Create ACX Case” check box is unselected at any point in time the ACX case will be terminated
for that specific air cooler operation and any information will be lost.
While the live link is active, some available areas of ACX should only be altered through the VMGSim interface,
these include:
1. All process information related to the air cooler operation.
2. The unit set being used. This is set within VMGSim from the radio buttons found at the top of the “ACX
Link” tab.
3. The calculation mode. Design, Rating, Evaluation, and Natural Draft modes are available through the
live link and can be selected through the radio buttons found on the “ACX Link” tab.
Initial ACX Case Geometry

The initial geometry for each new ACX case is loaded from a file whose path is specified in the VMGSim.ini
heading “[HTC]”. For either a new SI, Metric, or English unit set case the three lines that give the path name of
the loaded .ACI file are:
DefaultACXConfigurationFileSI =
DefaultACXConfigurationFileENG =
DefaultACXConfigurationFileMETRIC =
The original paths will point to files that are created when VMGSim is locally installed on a computer. These
paths or .ACI files can be modified for a custom initial geometry if desired.
ACX Network License Override

The VMGSim dongle detection might fail in situations where an ACX network license has been set up. In this
situation the VMGSim detection can be overridden by changing the following setting found in the VMGSim.ini
file under the heading “[HTC]”. When the setting is = T (true) the license will always be assumed to work on the
local computer.
OverrideACXNetworkLicenseCheck = F
“Design” Mode
In design mode the surface area and exchanger dimensions for VMGSim air coolers can be determined within
the ACX software. No information comes back to the VMGSim air cooler view, but the full report can be viewed
with the ACX program once the “Calculate” button on the “ACX Link” tab is pressed.
When the ACX case has solved the solution status can be seen in the “ACX Link” tab live link message. If the
message displays “Unsolved”, recalculate the ACX case to ensure proper results are given in the ACX report
output.
Note: As with the other calculation modes listed below, a .ACI file will be saved along with the other VMGSim
files to prevent information from being lost between save and recall of simulation cases. If the custom ACX
solver is selected the .ACI file will be loaded to complete internal calculations.
“Rating” Mode
In rating mode the amount of excess surface area, available fouling factor, and pressure drop for a VMGSim air
cooler can be calculated. This requires that an air cooler be described in the ACX program and the calculation
to be triggered by the “Calculate” button on the “ACX Link” tab. The results of a calculated rating case can be
seen below.
Information is passed back into the VMGSim air cooler ACX Live Link area as a result of calculating an ACX
case when operating in the “Rating” mode. If output in the alternate unit set is required, the calculation button
can be pressed after selecting the other unit set radio button in the “ACX Link” tab.
Note: More detailed information about the air cooler calculations in all modes can be found within the actual
ACX instance and should be viewed to ensure warnings or errors were not ignored.
“Evaluation” Mode
In evaluation mode a check is made to see if the exchanger specified in ACX will perform the specified duty for a
VMGSim air cooler’s process conditions. If not, the available outlet conditions and duty will be determined and
passed into the ACX Live Link area. If the duties can be met then the air flow will be reduced to meet the spe-
cified duty.
If the calculation is successful, information regarding the run will be propagated back into the VMGSim form
view. This includes the available temperature and pressure for the specified air cooler. More information can be
found within the ACX internal report.
“Natural Draft” Mode

The natural draft mode is similar to the evaluation mode in the ACX live link. The main difference is that the air
flow rate is determined by the chimney effect which acts as if the fans of the exchanger were shut off. The outlet
conditions, duty, and air flow rate are all calculated, as shown below.
Information Created by VMGSim

For the live link, file export, and custom ACX solver in VMGSim there is information referenced at specific points
that must be passed/exported. This information includes reference information for the liquid phase, vapour
phase, and 2-phase region (if applicable) in the heat exchanger. The following diagram shows how the general
referencing is handled.
ACX in-Flowsheet Solver

The calculation engine of ACX can be used to find solutions for air cooler operations within VMGSim. ACX soft-
ware from HTC must be installed on the local computer in order to use the ACX solver in air coolers within
VMGSim.
To implement the custom ACX solver in a VMGSim air cooler, select one of the following three ACX solve meth-
ods from the drop down menu that appears in the “ACX Link” tab once an ACX file has been created:
1. “ACX – Air T, Flow” - This option calculates the air side conditions and enters them into the air cooler sig-
nal ports based on a fully defined process side. The only process side calculation supplied by ACX is the
process side pressure drop.
2. “ACX – Outlet P, T” - This calculates the process side outlet pressure and enthalpy based on a specified
air flow rate and desired outlet temperature.
3. “ACX – Outlet P, T (ND)” - This calculates the process side outlet pressure and energy exchanged based
on the natural draft calculation mode in ACX. Air side conditions are also entered into the air cooler sig-
nal ports.
For all of these selections there are certain user-provided specifications required for the air cooler and certain
values that must be left blank. The tables below illustrate the general set up for each option.
Making a selection in the calculation mode drop down menu will initiate an ACX custom solver method. You
should be sure that the ACX geometry is fully developed prior to initiating the ACX solver.
If an air cooler with the ACX custom solver selected is opened in a computer without the ACX software locally
installed, it will default back to the VMGSim calculation mode automatically. In this case, the intensive or extens-
ive values that were specified through the ACX custom solver (such as outlet pressure, enthaply, or energy
exchanged) will be left unchanged to allow the air cooler to load in a solved status.
ACX Parameters
When any ACX custom solver modes have been selected there are parameters that become available to the
user to allow for more custom solutions. The following is a description of these parameters.
“ACX_DPTolerance”
This parameter specifies the minimum outlet pressure change allowed in the final iteration of the ACX cal-
culation mode. In this case only the process outlet pressure value corresponding to air exchange is considered.
Units are always given as [kPa].
“ACX_MaxFailAttempts”
When attempting to reach a solution the ACX software will sometimes fail with the given VMGSim process
conditions. This parameter will specify how many times the solution method attempts to find new process con-
ditions that will solve within ACX after a failure value is returned.
“ACX_MaxIterations”
This parameter determines how many successful iterations will be attempted in the ACX calculation mode
before it stops. In the case where the maximum number of iterations are surpassed, the ACX determined val-
ues will return as blanks.
“ACX_MinOutletP”
This parameter determines the minimum allowable pressure outlet values for the process side of the air cooler.
The outlet pressure will keep its original value in cases where the ACX solution calculates pressures less than
the minimum allowable pressure.
Units are always given as [kPa].
“ACX_AirOutTempTolerance”
This parameter sets the maximum air outlet temperature error allowed between the specified and calculated val-
ues for the ACX exchanger to assume the solution has been reached. Some air coolers will require that this
parameter be relaxed to values greater than 5.0% for a solution to be attainable in ACX.
Units are always given as [C].
“ACX_InitialOutQ”
This parameter sets the initial energy exchanged within the air cooler for the first solution iteration in the “ACX –
Outlet P, T (ND)” calculation mode. This parameter value will be overridden if an outQ signal port value is
already supplied.
Units are always given as [W].
ACX Solver Case1 Air T, Flow Example

Overview
In this example, the process pressure drop and air side conditions for a single air cooler representing a propane
evaporator are calculated using the ACX solver. In this simulation a heater representing the air side defined by
signal port values calculated by the ACX engine is also included. The PFD of the resulting flowsheet is shown
below.
Air Cooler
Select the APR property package with components propane and air. Enter the flow sheet environment and cre-
ate an air cooler. In this case the air cooler will be acting as the hot side as opposed to the cold, as seen in the
majority of cases. The defined air cooler view is shown below.
Note: An ACX case can be attached to this unit operation even if the air cooler is not solved. At this point the
ACX geometry can be given and the ACX solver can be implemented. Only the process information within the
ACX case will be missing initially.
In order to create an ACX case, change the “Rating Engine” to “ACX using the drop down menu in the “Sum-
mary” tab.
Check the “Create ACX Case” check box in the “ACX Link” tab. At this point the information can be entered
into the ACX interface as shown below in “Design” mode. With this complete the “Calculate” button has to be
pressed to run the ACX case once in “Design” mode before switching to “Rating” mode.
Note: The above information was obtained by running the link calculations within Design mode using the
default ACX case loaded in VMGSim.
ACX Solver
Now that the “Calculate” button has been pressed once in “Rating” mode, the solver can be switched to ACX
mode. This is completed by selecting “ACX – Air T, Flow” from the “Calculation Mode” pull-down menu found
in the “ACX Link” tab. The resulting VMGSim view should look similar to the image below.
Signal ports related to specific calculated values of the ACX solver can now be found in the “Summary” tab in
addition to the information given in the “ACX Link”. Since these are live calculated signal ports they can be used
to pass information to other unit operations within a VMGSim case.
In this example the signal port information will be used to define a heater operation that will represent the air
side of the ACX exchanger. To complete this step, add two material streams and a heater operation to the flow-
sheet as shown below.
The mass flow rate, pressure drop, and outlet temperature all need to be passed into the 3 new unit operations,
respectively. The following image shows the selection of the <New…> option in the connection drop down
menu that makes the second connection.
To complete the case the initial values of the Air_Inlet material stream need to be specified. In this case in order
to match the inlet conditions of the air side within the ACX exchanger the temperature, pressure, and com-
position values are specified as shown below.
ACX Solver Case2 Outlet P, T Example

Overview
In this example an air cooler’s process side pressure drop and outlet temperature are calculated using the ACX
solver. In this situation the air side flow rate and outlet temperature are specified and the results of the solved
air cooler process side are fed directly into the flowsheet as specified values. The following is the PFD of the
eventual flowsheet.
Air Cooler
For this example, select the APR property package and add components C1 to C8, including i-C4 and i-C5.
Enter the flow sheet environment and create an air cooler. The defined operation view shown below rep-
resents a hydrocarbon condensing unit.
In order to create an ACX case switch the “Rating Engine” in the “Summary” tab to “ACX” and then check the
“Create ACX Case” check box in the “ACX Link” tab. At this point the information is loaded into the ACX inter-
face as shown below in “Design” mode. The “Calculate” button has to be pressed to run the ACX case once in
“Design” mode before switching to “Rating” mode.
Note: The above information was obtained by running the link calculations within Design mode using the
default ACX case loaded in VMGSim.
ACX Solver
With the “Calculate” button having been pressed once in “Rating” mode the solver can now be switched to ACX
mode. This is completed by selecting “ACX – Outlet P, T” from the “Calculation Mode” pull-down menu found in
the “ACX Link” tab.
When the custom solver mode is selected for the air cooler a message will appear in the message bar, as
shown below, stating that specific air side information is missing.
To enter the air mass flow rate and outlet temperature required the values can be specified in the new signal
ports found in the “Summary” tab, as shown below.
Note: These new signal ports along with the new ACX solver parameters will only appear after a ACX custom
solve method is specified.
The iterative solver should begin with the specified air mass flow rate and outlet temperature and a solution for
the process pressure drop and outlet conditions will be given. The resulting air cooler view is given below.
Balance Op
Balance
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Logical\BalanceOp.vmp
General
The Balance unit operation is a flexible mass and energy balance solver that can be used every time you want
to draw a balance envelope. For example, balance unit operations can be used to calculate make-up values for
a solvent. When using the balance operation you may have to clone ports from material streams since VMGSim
enforces single connections between the in and out ports of unit operations.
By default an In and Out material port is added to the BalanceOp, this allows the user to configure the Bal-
anceOp suit their needs. Note that inconsistency errors may arise when configuring the BalanceOp due to the
fact there may not be the necessary ports at a given point in the configuration process for the BalanceOp to con-
verge. For example if only an In_Material port is added and connected to a stream there can be no way for the
balance to solve and inconsistency error will occur. This can be avoided by adding all of the desired ports to the
BalanceOp before connecting them to the objects that are to be balanced. Alternatively the BalanceOp can be
placed in Ignored mode until the configuration process is complete and then taken out of Ignored mode. Note
when place in Ignored mode a Unit Operation form will not automatically be updated when configuration
changes are made, Double Click on located to the left of the name textbox to
update the form.
Schematic / Connection
By clicking the Schematic / Connection Node you can view a schematic diagram and connections.
Balance Type
The balance type drop down provides options for the balance calculations as described below.
Mole+Energy
The balance operation will balance moles and energy simultaneously.
Mass
The balance operation will balance mass only.
Mole
The balance operation will balance moles only.
Energy
The balance operation will balance energy only
Mass+Energy
The balance operation will balance mass and energy simultaneously.
Mass + Energy + Reactive Basis

The balance operation will balance mass and energy, while taking into account any reactions present.
Create Port
Adds your choice of a In_Material, Out_Material, In_Energy or Out_Energy port to the BalanceOp.
Delete Port
Delete a selected port from the BalanceOp.
Summary(Tab)
Advanced
These parameters update the number of ports; do the same function as the Create Port and Delete Port button.
Inlets
Modify the number of In Material ports.
Outlets
Modify the number of Out Material ports.
Energy Inlets
Modify the number of In Energy ports.
Energy Outlets
Modify the number of Out Energy ports.
Energy Ports
When there is at least one Energy Port this frame will appear with the Energy Ports.
Material
Shows the conditions, composition and properties of the material ports. The Connected Stream/UnitOp dis-
plays the streams or units attached to material Ports
BalanceOp Example
In this example we will model a membrane separation process using a balance operation.
Start a new VMGSim case and add an Advanced_Peng-Robinson property package with Carbon Dioxide and
Methane as components. Switch the unit set to Field.
Create 3 material streams and specify them as shown in the table below.
S1 S2 S3
Temperature (F) 77
Pressure (psia) 300 295 295
Mole Flow (lbmole/h) 100
Carbon Dioxide Mole 0.6 0.9 0.15
Fraction
Methane Mole Fraction 0.4 0.1 0.85
Create a BalanceOp and then click the Create Port Button. Add an Out_Material Port by selecting it from the
drop down menu and clicking Create on the dialog box that appears.
.
The BalanceOp will appear as below.
Use the Balance Type drop down menu to switch the balance type from Mole to Mole + Energy. Now Connect
S1 to the BalanceOp In material port and S2 and S3 to the BalanceOp Out material ports. The BalanceOp
should appear as below.
Note that the balance operation automatically computed the molar flows of S2 and S3. Now specify the tem-
perature of S2 to be 77 F.
Note that the temperature of S3 is automatically determined, with the out let temperature out S2 specified there
is enough information to solve the energy balance for the over the tree streams and S3 can be calculated.
Cause Effect
Cause-Effect
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Logical\Cause Effect 1.vmp
General
A Cause-Effect matrix is used to set up trip logic for plants / models. The user set up a set of inputs (Causes)
and a set of outputs (Effects), and a mapping matrix which shows which inputs will cause which outputs to trip.
If a given input goes to an error state, the outputs corresponding the checkboxes in the row for the input will go
to a tripped state.
Summary (Tab)
Settings
Cause Count
The number of inputs / causes for the matrix.
Effect Count
The number of outputs/effects for the matrix
Log Events
When this is checked, the integrator log will track any output trip events, together with the input that caused the
trip.
Cause-Effect Matrix
CAUSE
A connection field which allows you to select input variables either by browsing, or by using Copy Connection /
Paste Connection. You can also leave the connection field blank and set the value from an Event Scheduler.
Value
The current value of the connected cause variable.
Min
An optional minimum value for the variable below which an error/trip condition exists.
Max
An optional maximum value for the variable above which an error/trip condition exists.
Override
Changing this field from Normal to Override means that the input will assume a normal state regardless of the
state of the input variables.
Description
A text field that the user can use to label the input variable.
Input State
A checkbox showing the current state of the input variable - i.e. normal or in error/tripped.
EFFECT
A connection field which allows you to select output variables either by browsing, or by using Copy Connection /
Paste Connection. You can also leave the connection field blank and read the output state from an Event
Scheduler.
Description
A text field that the user can use to label the input variable.
Invert
Check this box if you want the output variable to transition from true to false when an error condition occurs.
Normally the output will transition from false to true on an error condition
Overrride
When an output is in a tripped state, it does not automatically revert to a normal state, even if the input condition
which caused the trip clears. Also, it is sometimes necessary to prevent a trip condition from occurring even if
the input states would normally cause a trip condition - e.g. during startup.
Changing this field from Normal to Override means that the output will assume a normal state regardless of the
state of the input variables
Output State
A checkbox showing the current state of the output variable - i.e. normal or in error/tripped.
Settings (Tab)
Settings
Hide PFD Connections
By default, all cause/effect connections will show green dotted "control" connections on the PFD. Check this
box to hide the display of the connections.
Claus Operations
Claus Condenser
Claus Condenser
Main Flowsheet
PFD Stencil
Examples Claus\ClausCondenser.vmp
Claus\GPSAClausPlantExample.vmp
General
The Claus Condenser operation models a sulfur condenser. As such, the Claus Condenser monitors the sulfur
redistribution among the Sx species. It also has the ability to adjust the amount of Sulfur entrainment in the
vapor outlet and the amount of H2S in the liquid outlet.
A schematic diagram and the connections of the ClausCondenser can be viewed by clicking the Schematic /
Connection node.
Number of Segments
This defines the number of segments used for calculations performed by the Claus Condenser unit operation.
The default value is 1 segment.
Summary (Tab)
Main Data
By default the Main Data frame will contain the following information.
Out Q
Energy removed from the unit operation.
Delta P
Pressure drop across the unit operation, the default value is 0.25 psi.
Out T
The Outlet temperature of the Claus Condenser.
Delta T
The temperature drop over the Claus Condenser.
Cond Recovery
Elemental sulfur recovered through separation to the liquid phase in the condenser. Defined as
(S1 Equiv Liq / S1 Equiv Feed)
Stage Recovery
Fraction of non-elemental sulfur in ‘Reference AG Stream’ recovered as elemental sulfur in the stage of the con-
denser. It is defined as,
(S1_Equiv_Liq – S1_Equiv_RefStream) / (S_InCompounds_RefStream)
Reference AG Stream
Reference acid gas stream used to calculate Stage Recovery. This stream must contain the total input of sulfur.
The feed stream to the reaction furnace is an appropriate reference AG stream for most plant configurations.
Entrainment Data
The variables contained in the Entrainment Data frame allow the user to adjust the amount of Sulfur and H2S
entrainment in order to move away from equilibrium separation between the vapor and liquid phases. The user
can specify one variable to define the sulfur separation and one variable to define the H2S separation.
S Approach to Eq
Approach to equilibrium in the separation of elemental sulfur. Defined as,
S_LiqPhase = (SLiqPhase_Eq) * (S Approach_to_Eq)
In other words, if ‘S Approach to Eq’ = 0 then no elemental sulfur goes to the liquid phase. If ‘S Approach to Eq’
= 1 then the elemental sulfur in the liquid phase is equal to the amount predicted by equilibrium.
S1 Equiv Vap
S1 Equivalent mole flow in the vapor phase.
S1 Equiv Liq
S1 Equivalent mole flow in the liquid phase.
S1 Liq Entrainment
Sulfur liquid entrainment in the vapour phase.
H2S Liq Content

Content of H2S in the liquid phase.
H2S Eq Corr Factor

Correction to equilibrium in the separation of H2S. This is the same as an approach to equilibrium but it is
labeled differently because it is common to have this separation going beyond thermodynamic equilibrium due
to the configuration of the condenser. It is defined as,

H2S_LiqPhase = (H2SLiqPhase_Eq) * (H2S_Eq_Corr_Factor)
In other words, if ‘H2S Eq Corr Factor‘ = 0 then no H2S goes to the liquid phase. If ‘H2S Eq Corr Factor‘ = 1
then the H2S in the liquid phase is equal to the amount predicted by equilibrium.
H2S Vap
H2S mole flow in the vapor phase.
H2S Liq
H2S mole flow in the liquid phase.
Profile Tab
Allows user to view selected properties for each segment in the Claus Condenser.
Add/Remove
Allows properties to be added to or removed from the Profile Table. The > and < buttons add or remove the
selected properties and the >> and << buttons will add or remove all of the available properties.
Plot Tab
Allows a selected property to be plotted and viewed.
X-Variable
Y-Variable
Plot Window
Plot Control
Check Boxes
Allows user to toggle several basic plot window configuration items. For example, switching between a Black &
Advanced…
Allows for more advanced configuration of the plot window, clicking the Advanced… button will bring up the fol-
lowing form:
Save As JPG…
Copy
Print…
Claus Condenser Example

Start a new VMGSim case, and select a Claus property package with the following components: H2S, CO2,
H2O, C1, S, S2, S3, S4, S5, S6, S7, S8, O2, N2, SO2, CO, H2, COS and CS2. Switch the unit set to Field.
Note this unit operation was designed to be used along with the Claus property package. At least S, S2, S6 and
S8 should be added to the thermodynamic case in order to obtain realistic results when modeling a Claus plant,
however, it is recommended to always add all the sulfur species (S1-S8) to the case.
Add a Material Stream named To_Condenser and specify the conditions as shown below.
Create a Claus Condenser and connect To_Condenser to its inlet. Specify the OutT to be 350 °F. By default
the condenser has a pressure drop of 0.25 psi specified. The condenser will have enough information to solve
and will appear as below.
Create an Acid Gas material stream as defined below.
Now use the AG Reference Stream pull down in the Main Data frame to select the Acid Gas Stream.
Once selected, the Stage Recovery base on the Acid Gas stream will be calculated as shown below.
Claus Converter
Claus Converter
Main Flowsheet
PFD Stencil
Examples Claus\ClausConverter.vmp
General
The Claus Converter operation models a catalytic converter in which H2S and SO2 react to form sulfur. The
Claus Converter also calculates the hydrolysis of COS and CS2 to form H2S. The extent to which these three
reactions occur can be configured. The Claus Converter assumes that H2 and CO are non-reactive.
A schematic diagram and the connections of the ClausConverter can be viewed by clicking the Schematic /
Connection node.
Number of Segments
This defines the number of segments used for calculations performed by the Claus Converter unit operation.
The default value is 5 segments.
Summary (Tab)
Main Data
By default the Main Data frame will contain the following information, the values contained in the Main Data
frame will change depending on the settings selected in the Kinetic Correction frame.
Out Q
Energy removed from the unit operation. The default value is zero for adiabatic operation.
Delta P
Pressure drop across the unit operation. The default value is 0.25 psi.
MinDewP Margin
The difference between the reactor temperature and its dew point is commonly known as Dew Point Margin.
The Claus Converter unit operation provides the MinDewPointMargin which is the minimum dew point margin
found along the reactor.
CS2 AppToEq
Approach to equilibrium of CS2 defined as
Applicable when ApproachToEq is selected as the kinetic model for CS2 reactions
COS AppToEq
Approach to equilibrium of COS defined as
Applicable when ApproachToEq is selected as the kinetic model for COS reactions
H2S AppToEq
Approach to equilibrium of H2S defined as
Applicable when ApproachToEq is selected as the kinetic model for H2S reactions
S Conv Eff
Unit Conversion Efficiency. Fraction that indicates how much sulfur in the compounds was converted to ele-
mental sulfur. Defined as (SulfurElemental_Out – SulfurElemental_In) / SulfurInCompounds_In.
H2S Conv
Fractional conversion of H2S into a different substance.
CS2 HydConv
Fraction of hydrolysis of CS2 for the reaction, CS2 + 2H2O = CO2 + 2H2S.
COS HydConv
Fraction of hydrolysis of COS for the reaction, COS + H2O = CO2 + H2S.
S In Cmps (Feed)
Non-elemental sulfur in feed stream
S In Cmps (Outlet)
Non-elemental sulfur in outlet stream
Kinetic Correction
The Kinetic Correction Frame allows the user to select correlations/models used by the Claus Converter in
order to account for the kinetic effects in the converter.
CS2 Model
The main reaction of CS2 is its hydrolysis,
CS2 + 2H2O = CO2 + 2H2S
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of CS2 in the outlet.
ApproachToEq
Calculates the fractional approach to equilibrium of CS2 defined as,
This option fixes the amount of CS2 in the outlet based on a previous calculation of CS2 in equilibrium. When
this option is selected a signal port that must be specified will automatically be created.
HydrolysisConversion
Allows for direct specification of the conversion of CS2. Conversion is defined as,
It is important to recognize that this specification can go beyond equilibrium thus resulting in an unfeasible solu-
tion from a thermodynamic point of view.
GPSA (Fresh Catalyst)

Uses a correlation derived from GPSA manual data for the hydrolysis of CS2 with fresh alumina catalyst. The
conversion of CS2 is calculated based on the converter oultlet temperature.
GPSA (Used Catalyst)

Uses a correlation derived from GPSA manual data for the hydrolysis of CS2 with used alumina catalyst. The
conversion of CS2 is calculated based on the converter oultlet temperature.
SRE-VMG
Calculates the amount of CS2 that is hydrolyzed back to H2S across the catalyst bed using a correlation
developed by SRE from actual field test data. It takes into account the maximum bottom bed temperature in the
catalytic bed. The results of this setting are only applicable if the Gross Hourly Space Velocity (GHSV) is below
1000 h-1 (1000 SCFH of gas per cubic foot (ft3) of catalyst).
COS Model
The main reaction of COS is its hydrolysis,
COS + H2O = CO2 + H2S
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of COS in the outlet.
ApproachToEq
Calculates the fractional approach to equilibrium of COS defined as,
This option fixes the amount of COS in the outlet based on a previous calculation of COS in equilibrium. When
Hydrolysis Conversion
Allows for direct specification of the conversion of COS. Conversion is defined as,
GPSA (Fresh Catalyst)

Uses a correlation derived from GPSA manual data for the hydrolysis of COS with fresh alumina catalyst. The
conversion of COS is calculated based on the converter oultlet temperature.
GPSA (Used Catalyst)

Uses a correlation derived from GPSA manual data for the hydrolysis of COS with used alumina catalyst. The
conversion of COS is calculated based on the converter oultlet temperature.
SRE-VMG
Calculates the amount of COS that is hydrolyzed back to H2S across the catalyst bed using a correlation
H2S Model
The main reaction of H2S is,
H2S + 1/2SO2 = 3/2S + H2O
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of H2S in the outlet.
ApproachToEq
Calculates the fractional approach to equilibrium of H2S defined as,
This option fixes the amount of H2S in the outlet based on a previous calculation of H2S in equilibrium taking
into account any specifications for COS and CS2. When this option is selected a signal port that must be spe-
cified will automatically be created.
Catalyst Type
The type of catalyst installed in the converter. This parameter is applicable if hydrolysis is modeled using SRE-
VMG correlations. At this time, 3 catalyst types are supported: regular alumina, promoted titania (approx.
30% TiO2), and full titania (approx. 85% TiO2).
Catalyst Age
The lifecycle stage of the catalyst being modeled. This parameter is applicable if hydrolysis is modeled using
SRE-VMG correlations and alumina catalyst is in use.
Material
This frame shows the conditions, composition and properties of the material at the inlet and outlet. The Con-
nected Stream/UnitOp displays the streams or units attached to the inlet and outlet of the Claus Converter.
Profile Tab
Allows selected properties to be viewed for each segment in the Claus Converter.
Add/Remove
Plot Tab
X-Variable
Y-Variable
Plot Window
Plot Control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Claus Converter Example

Add a Material Stream, named To Converter and specify the conditions as shown below.
Create a Claus Converter and connect To Converter to its inlet. By default the converter is set for adiabatic
operation (OutQ = 0 Btu/h) and has a pressure drop of 0.25 psi specified. The converter will have enough
information to solve and should appear as shown in the figure below.
Now modify the kinetic correction correlations. Begin by opening the Kinetic Correction frame by clicking on the
+.
Switch the H2S_Model to the ApproachToEq correlation by using the pull down menu.
Once selected, note the addition of H2S_AppToEq to the Main Data frame.
Specify a value of 0.95 for the H2S_AppToEq, the Claus Converter should solve and appear as shown below.
Claus Cooler
Claus Cooler
Main Flowsheet
PFD Stencil
Examples Claus\ClausCooler.vmp
General
The Claus Cooler tracks the sulfur redistribution among the Sx species when cooling the process stream flow-
ing through it.
A schematic diagram and the connections of the ClausCooler can be viewed by clicking the Schematic / Con-
nection node.
Number of Segments
This defines the number of segments used for calculations performed by the Claus Cooler unit operation. The
default value is 1 segment.
Summary (Tab)
Main Data
OutQ
Delta P
OutT
The Outlet temperature of the Claus Cooler. Defined as T_Inlet – T_Outlet
Delta T
The temperature drop over the Claus Cooler.
Profile Tab
Allows selected properties to be viewed for each segment in the Claus Cooler.
Add/Remove
Plot Tab
X-Variable
Y-Variable
Plot Window
Plot Control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Claus Cooler Example

Add a Material Stream, To ClausCooler and specify the conditions as shown below.
Create a Claus Cooler and connect To ClausCooler to its inlet. Specify the OutT to be 350 °F. By default the
Claus cooler has a pressure drop of 0.25 psi. The Claus cooler will have enough information to solve and will
appear as shown below.
Claus Direct Fired Heater

Claus Direct Fired Reheater
Main Flowsheet
PFD Stencil
Examples Claus\ClausDirectFiredHeater.vmp
General
The Claus Direct Fired Heater heats a process stream by mixing it with the combustion product of a Fuel Gas
and an Air supply. The direct fired heater will calculate the flow rates of both the Fuel Gas and Air fed to the dir-
ect fired heater based on a specified outlet temperature.
A schematic diagram and the connections of the ClausDirectFiredReheater can be viewed by clicking the
Schematic / Connections node.
Summary (Tab)
Main Data
A variety of specifications can be used to solve this unit. The composition, temperature and pressure of all the
feeds must be defined. The flow of the process stream must be defined. The amount of air must be defined (on
an absolute or relative basis) by specifying either Air Flow, O2 Fraction Excess, or O2 Outlet Fraction. Other
requirements depend on the input and output desired:
- specify the energy output (Out Q and Out T) to solve for Fuel Flow, or
- specify Fuel Flow and either Out Q or Out T
Out Q
Energy feed to the unit operation.
Delta P
Out T
The Outlet temperature of the Claus Direct Fired Heater.
Delta T
The temperature drop over the Claus Direct Fired Heater. Defined as T_Outlet – T_Inlet
O2 Fraction Excess
The O2 Fraction Excess. Zero indicates a stoichiometric amount of oxygen, a negative fraction indicates a sub-
stoichiometric amount of oxygen and fraction greater than 0 indicates there is an excess of oxygen. Note that
the burner itself will perform calculation based on gibbs minimization and may differ from the stoichiometric
estimation of oxygen.
O2 Outlet Fraction
The mole fraction of O2 in the outlet stream. A solution obtained with this specification will always use excess
oxygen, regardless of the presence of oxygen in the process stream.
Burner T
The temperature of the combustion product from the burner.
Material
Fuel
The fuel source that is combusted to heat the process gas. A hydrocarbon or acid gas feed or a combination of
the two can be used as a fuel source. A temperature, pressure and composition must be defined for Fuel at the
very least.
Air
The oxygen source that is used to combust fuel gas to heat the process stream. A temperature, pressure and
composition (including Oxygen) must be defined for Air at the very least.
Process
The process fluid to be heated by the direct fired heater. If "Process Side is Reactive" is checked in the Settings
tab, this fluid will participate in the combustion in the burner.
Out
The heated process stream mixed with the combustion product of the fuel and air streams.
Reaction Settings (Tab)
This tab is used to define the components that are non-reactive in the burner.
The burner combustion calculations are based on a full gibbs minimization that includes all the components that
are allowed to participate in the reactions as defined in the "Non Reactive Compounds" table.
The estimation of the "O2 Fraction Excess" is based on the the following list of reactions assuming they go to
completion. Reactions with at least one non-reactive component are ignored. Non-reactive components are
also ignored in the calculations for "O2 Fraction Excess". It is important to point out that the results from the rig-
orous gibbs minimization in the burner may not match this list of reactions. For example, the burner may predict
that some CO is formed as opposed to only producing CO2.
Cx + (x)O2 -> xCO2
CxHy + (x + y/4.0)O2 -> (y/2.0)H2O + xCO2
H2S + 3/2O2 -> H2O + SO2
CxHyOm + (x + y/4.0 - m/2)O2 -> (y/2.0)H2O + xCO2
CxHySm + (m + x + y/4.0)O2 -> (y/2.0)H2O + xCO2 + mSO2
Sx + (x)O2 -> xSO2
CS2 + 3O2 -> 2SO2 + CO2
COS + 3/2O2 -> SO2 + CO2
CO + 1/2O2 -> CO2
Hx + (x/4)O2 -> (x/2)H2O
NH3 + 3/4O2 -> 6/4H2O + 2/4N2
H4N2 + O2 -> 2H2O + N2
HCN + 5/4O2 -> 1/2H2O + 1/2N2 + CO2
PH3 + 2O2 -> 3/2H2O + 1/4P4O10
Equilibrium Results (Tab)

View the equilibrium results for the port selected in the pull down menu. Note that the 'CombustionFluid' is the
combustion product from the burner.
Settings (Tab)
Numerical Settings
Settings for the numeric calculations and other options in this unit operation. The default values in this frame
should be sufficient for most problems.
Duty Max Iter

Maximum number of iterations allowed when the Duty is specified (solves for outlet T).
Duty Max Error

Tolerance when solving for T when the Duty is specified.
Duty Damping
Damping factor when solving for T when Duty is specified.
Duty Max Step

Maximum step allowed from iteration to iteration when solving for T when Duty is specified.
Init From Combustion

Perform a Gibbs minimization before combustion calculations. This will be ignored if there are no active hydro-
carbons in the fuel, or if oxygen, water, or carbon dioxide are inert.
General Settings
Process Side is Reactive

Allow the process stream to participate in combustion reactions in the burner.
Claus Direct Fired Heater Example

Specify 3 streams as shown in the following table.
Name Fuel Air Process

Temperature (°F) 110 110 350
Pressure (psia) 20 20 17.6
Mole Flow (lbmol/hr) - - 1100
H2S mol fraction .62 0 0.05
CO2 mol fraction 0.32 0 0.135
Water mol fraction 0.05 0 0.25
Methane mol fraction 0.01 0 0
Sulfur mol fraction 0 0 0
Sulfur2 mol fraction 0 0 0
O2 mol fraction 0 0.21 0
N2 mol fraction 0 0.79 0.505
SO2 mol fraction 0 0 0.03
CO mol fraction 0 0 0
H2 mol fraction 0 0 0.015
COS mol fraction 0 0 0.01
CS2 mol fraction 0 0 0.005
Create a Claus Direct Fired Heater and connect the Fuel, Air and Process streams to the appropriate inlets of
the direct fired heater. Specify O2_FractionExcess and the OutT to be 0 and 460 °F, respectively. The Claus
Direct Fired Heater will have enough information to solve and will appear as shown below.
Note that the flow rates of both the Fuel and Air streams are calculated by the Claus Direct Fired Heater.
Claus Heater
Claus Heater
Main Flowsheet
PFD Stencil
Examples Claus\ClausHeater.vmp
Claus\ClausGPSAPlantExample.vmp
General
The Claus Heater tracks the sulfur redistribution among the Sx species when heating the process stream flow-
ing through it.
A schematic diagram and the connections of the ClausHeater can be viewed by clicking the Schematic / Con-
nection node.
Number of Segments
This defines the number of segments used for calculations performed by the Claus Heater unit operation. The
Summary (Tab)
Main Data
OutQ
Delta P
OutT
The Outlet temperature of the Claus Heater. Defined as T_Outlet – T_Inlet
Delta T
The temperature drop over the Claus Heater.
Profile Tab
Allows the user to view selected properties for each segment in the Claus Heater.
Add/Remove
Plot Tab
X-Variable
Y-Variable
Plot Window
Plot Control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Claus Heater Example

Add a Material Stream, To ClausHeater and specify the conditions as show below.
Create a Claus Heater and connect To ClausHeater to its inlet. Specify the OutT to be 460 °F. By default, the
Claus Heater has a specified pressure drop of 0.25 psi. The Claus Heater will have enough information to solve
and will appear as shown below.
Claus Hydrogenator
Claus Hydrogenator
Main Flowsheet
PFD Stencil
Examples Claus\ClausHyrogenator.vmp
General
The Claus Hydrogenator operation models a catalytic Hydrogenator that promotes the production of H2S.
These are the main reactions involved:
Hydrogenation
SO2 + H2 -> H2S + O2
S + H2 -> H2S
MERCAPTAN + H2 -> HYDROCARBON + H2S
Hydrolysis
COS + H2O -> CO2 + H2S
CS2 + 2H2O -> CO2 + 2H2S
Water shift
CO + H2O -> CO2 + H2
Connection node.
Summary (Tab)
Main Data
The Main Data frame will contain the following information by default. The values contained in the Main Data
OutQ
Delta P
Kinetic Correction
The Kinetic Correction Frame allows the user to select correlations/models used by the Claus Hydrogenator in
order to account for the kinetic effects in the Hydrogenator. By default this frame is closed, but can be opened
by clicking on the node.
CS2_Model
CS2 + 2H2O = CO2 + 2H2S
Equilibrium
ApproachToEq
Conversion
This specification can not go beyond equilibrium
COS_Model
Equilibrium
ApproachToEq
Conversion
CO_Model
The main reaction of CO is the water shift,
CO + H2O = CO2+ H2
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of CO in the outlet.
ApproachToEq
Calculates the fractional approach to equilibrium of CO defined as,
This option fixes the amount of CO in the outlet based on a previous calculation of CO in equilibrium. When this
option is selected a signal port that must be specified will automatically be created.
Conversion
Allows for direct specification of the conversion of CO. Conversion is defined as,
Mercaptans_Model
The main reaction of mercaptans (CHS) is,
CHS + H2 -> HYDROCARBON + H2S
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of mercaptans in the outlet.
ApproachToEq
Calculates the fractional approach to equilibrium of mercaptans defined as,
This option fixes the amount of CHS in the outlet based on a previous calculation of CHS in equilibrium. When
Conversion
Allows for direct specification of the conversion of CHS. Conversion is defined as,
NonReactive
This option forces the mercaptans to be non reactive.
SO2_Model
The main reaction of SO2 is,
SO2 + H2 -> H2S + O2
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of SO2 in the outlet.
ApproachToEq
Calculates the fractional approach to equilibrium of SO2 defined as,
This option fixes the amount of SO2 in the outlet based on a previous calculation of SO2 in equilibrium. When
Conversion
Allows for direct specification of the conversion of SO2. Conversion is defined as,
S_Model
The main reaction of Sulfur is,
S + H2 = H2S
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of Sx in the outlet.
ApproachToEq
Calculates the fractional approach to equilibrium of Sx defined as,
This option fixes the amount of S in the outlet based on a previous calculation of S in equilibrium. When this
Conversion
Allows for direct specification of the conversion of S. Conversion is defined as,
This specification can not go beyond equilibrium.
Material
nected Stream/UnitOp displays the streams or units attached to the inlet and outlet of the Claus Hydrogenator.
Settings (Tab)
Numerical Settings
Settings for the numeric calculations in this unit operation. The default values in this frame should be sufficient
for most problems.
Duty Max Iter

Duty Max Error

Duty Damping
Duty Max Step

Claus Hydrogenator Example

Add a Material Stream, To Hydrogenator and specify the conditions as show below.
Create a Claus Hydrogenator and connect To Hydrogenator to its inlet. By default the converter is set for adia-
batic operation (OutQ = 0 Btu/h) and has a pressure drop of 0.25 psi. Upon connecting To Hydrogenator the
hydrogenator with have enough information to solve and will appear as shown below.
Modify the kinetic correction correlations. Begin by opening the Kinetic Correction frame by clicking on the +
node.
Switch the CS2_Model to the ApproachToEq model by using the pull down menu.
Once selected note the addition of CS2_AppToEq to the Main Data frame.
Specify a value of 0.9 for the CS2_AppToEq, the Claus Hydrogenator should solve and appear as below.
Claus Mixer
Claus Mixer
Main Flow sheet
PFD Stencil
Examples Claus\ClausMixer.vmp
General
The Claus Mixer unit operation can be used to adiabatically mix material ports while tracking and accounting for
the sulfur redistribution among the Sx species. The Claus Mixer should be used when mixing streams in a hot
gas bypass or whenever mixing streams that contain Sx.
The Claus Mixer can be configured to equalize the inlet and outlet pressures, set the outlet pressure to equal
the lowest inlet pressure or to not to calculate the outlet stream pressure. The default configuration of the Claus
Mixer is to have two inlet streams and an outlet stream.
By clicking the Schematic / Connection Node you can view a schematic diagram and connections of the Claus
Mixer.
Inlets
Shows the number of inlet material ports added to the Claus Mixer. This can also be used to change the num-
ber of inlet material ports by entering the desired number of inlet ports.
Main Data
Calc P Mode
Pull down menu that sets how the Claus Mixer deals with pressures of the inlet and outlet ports.
LowestPInOutlet
Sets the pressure of the outlet port to equal the pressure of the inlet port with the lowest pressure. This is the
default CalcPressureMode of the setting.
AlPEqual
Sets all the inlet and outlet pressures in the Claus Mixer to be equal, the first pressure entered into the Claus
Mixer either in the outlet or one of the inlet ports will propagate through the Claus Mixer and determine the pres-
sure of the remaining ports.
DontCalculate
The Claus Mixer doesn’t perform any pressure calculations and the pressure in the inlet and outlet streams are
set by the user. Note that if this mode is selected, it is possible for the outlet pressure to be higher than the inlet
pressure values.
Material
Shows all of the inlet ports and the outlet port included in the Claus Mixer configuration.
Create Port (Button)

Add extra In_Material port to the Claus Mixer. The default number of Inlet material streams is two.
Delete Port (Button)

Delete an In_Material port from the Claus Mixer, at least one inlet stream must be present.
Equilibrium Results
View the equilibrium results for the port selected in the pull down menu.
Claus Mixer Example

H2O, S, S2, S6, S8, O2, N2 and SO2. Switch the unit set to Field.
Create 2 streams and configure them as shown in the table below.
S1 S2
Temperature (F) 1200 300

Pressure (psia) 19.2 17.2
Mole Flow (lbmole/h) 93.8 1011
H2S Mole Fraction 0.0483 0.146
CO2 Mole Fraction 0.13 0.305
H2O Mole Fraction 0.236 0.0
CH4 Mole Fraction 0.0 0.0
S MoleFraction 0.0 0.0
S2 Mole Fraction 0.083 0.0
O2 Mole Fraction 0.0 0.0
N2 Mole Fraction 0.4784 0.532
SO2 Mole Fraction 0.024 0.0054
Now create a Claus Mixer unit operation and attach the S1 and S2 to its inlets the Claus Mixer will calculate and
appear as below:
Note that the Sulfur2 contained in S1 is no longer present in the outlet of the Claus Mixer as the Sulfur species
redistribute with changing temperature
Claus Oxidation Converter

Claus Oxidation Converter
Main Flowsheet
PFD Stencil
Examples Claus\ClausOxidationConverter.vmp
General
The Claus Oxidation Converter operation models a selective oxidation converter in which H2S and O2 react to
form sulfur.
The main reaction is,
H2S + 1/2O2 -> 1/xSx + H2O
There is also an undesired side reaction,
H2S + 3/2O2 -> SO2 + H2O
A schematic diagram and the connections of the ClausOxidationConverter can be viewed by clicking the
Schematic / Connection node.
Number of Segments
This defines the number of segments used for calculations performed by the Claus Oxidation Converter unit
operation. The default value is 2 segments.
Summary (Tab)
Main Data
OutQ
Delta P
H2S_AppToEq
Approach to equilibrium of H2S.
Selectivity
Fraction of the reacting H2S that is converted to sulfur (main reaction). The rest of the reacting H2S is con-
verted to SO2 (side reaction).
SConvEff
Fraction that indicates how much sulfur in the compounds was converted to elemental sulfur. Defined as (Sul-
furElemental_Out – SulfurElemental_In) / SulfurInCompounds_In.
H2S_Conv
S_InCmps (Feed)
Sulfur contained in compounds in the feed that is not elemental sulfur. Reported as molar flow of S1 equivalent.
S_InCmps (Outlet)
Sulfur contained in compounds in the outlet that is not elemental sulfur. Reported as molar flow of S1 equi-
valent.
Kinetic Correction
The Kinetic Correction Frame allows the user to select correlations/models used by the Claus Oxidation Con-
verter in order to account for the kinetic effects in the furnace oxidation converter. By default this frame is
closed, but can be opened by clicking on the node.
H2S_Oxidation_Model
Equilibrium
ApproachToEq
Calculates the fractional approach to equilibrium of H2S defined as:
Material
nected Stream/UnitOp displays the streams or units attached to the inlet and outlet of the Claus oxidation con-
verter.
Profile Tab
Allows selected properties to be viewed for each segment in the Claus Oxidation Converter.
Add/Remove
Plot Tab
X-Variable
Y-Variable
Plot Window
Plot Control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Claus OxidationConverter Example

Add a Material Stream, To Oxidation Converter and specify the conditions as show below.
Create a Claus Oxidation Converter and connect To Oxidation Converter to its inlet. By default the oxidation
converter is set for adiabatic operation (OutQ = 0 Btu/h) a selectivity of 1.0 and a pressure drop of 0.25 psi.
Upon connecting the To Oxidation Converter the oxidation converter will have enough information to solve and
will appear as shown below.
Claus Oxygen Calculator

Claus Oxygen Calculator
Main Flowsheet
PFD Stencil
Examples Claus\ClausOxygenCalculator.vmp
General
The Claus Oxygen Calculator calculates the amount of oxygen needed to perform a specific combustion of
hydrocarbons and H2S. There are different ways for specifying this unit operation. The only requirement is that
the AcidGas composition and mole flow should always be known.
One of the following variables must be known in order to solve all the signal ports: H2S_FractionToBurn, O2_
MoleFlow, O2_FractionExcess or composition and mole flow of the Air material stream. Note that the Air mater-
ial stream may or may not be specified in order to solve for the signal ports. If the composition of the Air stream
is known along with a signal port, then this unit operation can calculate the mole flow of air. If the air composition
and mole flow are known, then this unit operation will solve for all the signal ports.
A schematic diagram and the connections of the ClausOxygenCalculator can be viewed by clicking the Schem-
atic / Connection node.
Summary (Tab)
Main Data
H2S_FractionToBurn
Calculates the amount of oxygen required to combust everything that is not H2S plus a specified fraction of
H2S. This is a convenient specification when estimating the air requirements in a Claus furnace.
O2_FractionExcess
Calculates the amount of oxygen required to meet the specified excess. It is important to note that by default the
units may be [Fraction] as opposed to [%].
O2_MoleFlow
Oxygen used in the calculations. It can be a specified value or a calculated value.
Material
AcidGasIn/Out
The fuel source that is to be combusted can be an acid gas feed, hydrocarbon feed or a combination of the two.
The flow rate and composition must be defined.
AirIn/Out
The oxygen source that is used to combust AcidGas to heat the process stream. A composition (including Oxy-
gen) must be defined for Air.
Settings (Tab)
Settings
Ignore Mercaptans
Ignore mercaptan combution in calculations
Ignore S (Sx, CS2, COS)

Ignore sulfur combustion in calculations
Sx + (x)O2 -> xSO2
CS2 + 3O2 -> 2SO2 + CO2
COS + 3/2O2 -> SO2 + CO2
Ignore CO
Ignore carbon monoxide combustion in calculations
CO + 1/2O2 -> CO2
Ignore H (H2)
Ignore hydrogen combustion in calculations
Hx + (x/4)O2 -> (x/2)H2O
Ignore N (NH3, HCN, N2H4)

Ignore nitrogen combustion in calculations
NH3 + 3/4O2 -> 6/4H2O + 2/4N2
H4N2 + O2 -> 2H2O + N2
CxHyNm + (x + y/4.0)O2 -> y/2H2O + m/2N2 + xCO2
CxHyNmOk + (x + y/4.0 - k/2)O2 -> y/2H2O + m/2N2 + xCO2
Ignore P (PH3)
Ignore phosphine combustion in calculations
PH3 + 2O2 -> 3/2H2O + 1/4P4O10
Essential Reactions
Note that the combustion reactions of carbon, hydrocarbons, hydrogen sulfide, and alcohols cannot be ignored.
Cx + (x)O2 -> xCO2
CxHy + (x + y/4.0)O2 -> (y/2.0)H2O + xCO2
H2S + 3/2O2 -> H2O + SO2
Claus Oxygen Calculator Example

Name Acid Gas Air

Temperature (°F) 110 110
Pressure (psia) 20 20
Mole Flow (lbmol/hr) 1000 -
H2S mol fraction .62 0
CO2 mol fraction 0.32 0
Water mol fraction 0.05 0
Methane mol fraction 0.01 0
Sulfur mol fraction 0 0
Sulfur2 mol fraction 0 0
O2 mol fraction 0 0.21
N2 mol fraction 0 0.79
SO2 mol fraction 0 0
CO mol fraction 0 0
H2 mol fraction 0 0
COS mol fraction 0 0
CS2 mol fraction 0 0
Create a Claus Oxygen Calculator and connect the Acid Gas and Air streams to the appropriate inlet of the
Claus Oxygen Calculator. Specify the H2S_FractionToBurn to be 0.33. The Claus Oxygen Calculator will have
enough information to solve and will appear as shown below.
Note that the flow rate of the Air stream is calculated by the Claus Oxygen Calculator.
Delete the H2S_Fraction to Burn specification and specify a molar flow rate of 2000 lbmole/h in the Air stream.
Under this new specification, the Claus Oxygen Calculator will calculate the H2S_FractionToBurn.
Claus Reaction Furnace

Claus Reaction Furnace
Main Flowsheet
PFD Stencil
Examples Claus\ClausReactionFurnace.vmp
General
The Claus Reaction Furnace is based on a Gibbs free energy minimization reactor to find the chemical equi-
librium of the feed to the furnace. The Claus Furnace unit operation provides different means of adjusting the
calculations as it is known that many compounds will not reach equilibrium due to kinetic effects.
A schematic diagram and the connections of the Claus Reaction Furnace can be viewed by clicking the Schem-
Summary (Tab)
Main Data
Out Q
Energy removed from the unit operation. The default value is zero for adiabatic operation. Note that the total
duty that leaves the unit operation is Out Q plus Heat Loss (when heat loss is enabled).
Delta P
Pressure drop across the unit operation, 0.5 psi by default.
(H2S:SO2) Ratio
Molar flow ratio of H2S to SO2 at the outlet.
Residence Time
The residence time in the converter, 1.5 seconds by default. Relevance depends on the models selected in the
Kinetic Correction frame.
H2 QuenchT
Temperature at which H2 is assumed to stop reacting. Applicable to the Quench Temperature H2 model, this
value is used to account for the continued reacting of H2 when it exits the furnace and until it is quenched in the
waste heat boiler. If this option is selected, then it is not recommended to use a reactive model in the waste heat
boiler downstream.
CO QuenchT
Temperature at which CO is assumed to stop reacting. Applicable to the Quench Temperature CO model, this
value is used to account for the continued reacting of CO when it exits the furnace until it is quenched in the
boiler downstream.
S Conv Eff
H2S Conv
S In Cmps (Feed)
S In Cmps (Outlet)
Kinetic Correction
The Kinetic Correction Frame allows the user to select correlations/models that account for kinetic effects in the
Claus Reaction Furnace.
Where applicable, the default kinetic corrections are the SRE-VMG correlations. These correlations are based
on actual field test results from a large database of SRU performance evaluations. Feed type (gas plant or
refinery), O2 enrichment (low, medium or high), Configuration (for refinery, straight through or front-side split),
Burner Type (low efficiency or high efficiency), Natural Gas Co-fire (yes or no) must be specified for effective
use of these correlations.
CS2 Model
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of CS2.
Moles Produced / Mole Hydrocarbon Fed

Allows user to specify the moles of CS2 produced per mole of hydrocarbons in the feed. The hydrocarbons
taken into account are C1-C10. When this option is selected a signal port that must be specified will auto-
matically be created.
Western Research And Dev

Calculates the amount of CS2 produced using a correlation developed by Western Research, based on plant
data.
Fraction of furnace inlet hydrocarbon that forms CS2, R(CS2).
R(CS2) = 2.6A0.971 exp(-0.965A)
Where A is the mole fraction of H2S in the acid gas feed on a dry basis.
Fischer Correlation
Uses the correlation published by Fischer to predict the CS2 content (see reference from Moore).
Luinstra & d'Haene

Uses correlation from Luinstra & d’Haene to estimate CS2 content. This correlation takes into account the res-
idence time in the furnace.
SRE-VMG
Calculates the amount of CS2 produced using a correlation developed by SRE from actual field test data. It
takes into account the adiabatic temperature in the reaction furnace and the amount of C1 equivalent moles in
the furnace feed (*from all carbon bearing components other than CO and CO2).
Molar Flow
Fixes the CS2 molar flow in the outlet. Useful when using the excel unit operation to estimate CS2.
Molar Fraction
Fixes the CS2 molar fraction in the outlet. Useful when using the excel unit operation to estimate CS2.
Dry Molar Fraction

Fixes the CS2 molar fraction (dry basis) in the outlet. Useful when using the excel unit operation to estimate
CS2.
COS Model
Equilibrium
Moles Produced / Mole H2S Fed

Allows user to specify the moles of COS produced per mole of H2S in the feed. When this option is selected a
signal port that must be specified will automatically be created.

Calculates the amount of COS produced using a correlation developed by Western Research, based on plant
data.
Fraction of furnace inlet carbon that forms COS, R(COS).
for A >= 0.0 and A <= 0.7,
R(COS) = 0.01 tan (100A(Pi/180) )
for A > 0.7 and A < 0.86,
R(COS) = (257.13429A2 - 350.75026A + 122.1154) / 100.0
for A >= 0.86,

R(COS) = 0.143
Fischer Correlation
Uses the correlation published by Fischer to predict the COS content (see reference from Moore).
SRE-VMG
Calculates the amount of COS produced using correlations developed by SRE from actual field test data. It
the furnace feed (*from all carbon bearing components).
Molar Flow
Fixes the COS molar flow in the outlet. Useful when using the excel unit operation to estimate COS.
Molar Fraction
Fixes the COS molar fraction in the outlet. Useful when using the excel unit operation to estimate COS.
Dry Molar Fraction

Fixes the COS molar fraction (dry basis) in the outlet. Useful when using the excel unit operation to estimate
COS.
H2 Model
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of H2 in the outlet.
Quench Temperature
Defines a quench temperature for H2 which will take into account the H2 consumption occurring while the
stream exiting the furnace is being quenched in the down stream waste heat boiler. When this option is selected
a signal port that must be specified will automatically be created.

Allows the user to specify the moles of H2 produced per mole of H2S in the feed. When this option is selected a

Calculates the amount of H2 produced using a correlation developed by Western Research, based on plant
data.
Fraction of furnace inlet H2S that cracks to H2 and S, R(H2)
R(H2) = 0.056
SRE-VMG
Calculates the amount of H2 produced using a correlation developed by SRE from actual field test data. It takes
into account the adiabatic temperature in the reaction furnace and the amount of H2S in the furnace feed. A
high or low efficiency burner must be specified with this model.
Molar Flow
Fixes the H2 molar flow in the outlet. Useful when using the excel unit operation to estimate H2.
CO Model
Equilibrium
Quench Temperature
Defines a quench temperature for CO which will take into account the CO consumption occurring while the
Moles Produced / Mole CO2 Fed

Allows the user to specify the moles of CO produced per mole of CO2 in the feed. When this option is selected a

Allows the user to specify the moles of CO produced per mole of H2S in the feed. When this option is selected a

Calculates the amount of CO produced using a correlation developed by Western Research based on plant
data.
Fraction of furnace inlet carbon that forms CO, R(CO)
for A >= 0.0 and A <= 0.3,
R(CO) = R_CO = (2.9584 * A2 + 1.6658 * A - 0.0029984) / 100.0
for A > 0.3,

R(CO) = 0.002A0.0345exp(4.53A)
SRE-VMG
Calculates the amount of CO produced using a correlation developed by SRE from actual field test data. It
Molar Flow
Fixes the CO molar flow in the outlet. Useful when using the excel unit operation to estimate CO.
S2 Model
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of S2 in the outlet.

Allows the user to specify the moles of S2 produced per mole of H2S in the feed. When this option is selected a
H2S Approach To Eq.

This option fixes the amount of H2S in the outlet based on a previous calculation of H2S in equilibrium. The ori-
ginal calculation of H2S in equilibrium takes into account all of the selected options for the other compounds.
When this option is selected a signal port that must be specified will automatically be created.
SRE-VMG
Calculates the amount of sulfur produced (predominately S2 in the reaction furnace) using correlations that
were developed by SRE from actual field test data. It takes into account SRU feed type, burner type, con-
figuration, natural gas co-firing, and oxygen enrichment, as specified in the Kinetic Correction frame, as well as
the amount of S1 equivalent moles in the furnace feed (*from all sulfur bearing components that are not ele-
mental sulfur).
NH3 Model
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of NH3 in the outlet.
ApproachToEq
Calculates the fractional approach to equilibrium of NH3 defined as:
This option fixes the amount of NH3 in the outlet based on a previous calculation of NH3 in equilibrium. The ori-
ginal calculation of NH3 in equilibrium takes into account all of the selected options for the other compounds.
Conversion
Conversion of NH3 as defined by the reaction,
2NH3 -> 3H2 + N2
Molar Flow
Fixed molar flow of NH3 in the outlet.
Note: The Western Research and Development correlations are presented in Monnery et al. (1993) and Moore
(1992). These empirical correlations were developed by Sames and Paskall (1990) and are based on plant
data of more than 300 tests on 100 different sulfur trains. The data was taken from acid gas feeds going from 8
to 98 mol percent of H2S, 0.1 to 5.0 mol percent of hydrocarbons and 14 to 1700 tones/day of sulfur production
(Monnery et al., 1993). The data sets for these correlations were taken at the outlet of the waste heat boiler
(Moore, 1992). Some of the final correlations used in VMGSim are not the original ones but were re-calculated
based on the plant data presented.
Feed Type
Feed type to the furnace, based on its industrial application (Gas Plant or Refinery). Relevant if the SRE-VMG
correction is selected for the S2 model.
O2 Enrichment
The degree of oxygen enrichment in the SRU. This value is relevant if the SRE-VMG correction is selected for
the S2 model. The oxygen enrichment level options are None, Low (21 to 23 percent O2), Medium (23 to 25 per-
cent O2) and High (25 to 40 percent O2). The reaction furnace residence time must be a minimum of 0.8
seconds for the results of Low/Medium/High O2 enrichment to apply.
Configuration
The type of SRU configuration. This value is relevant if the SRE-VMG correction is selected for the S2 model. If
the ‘Refinery’ feed type is chosen, the user must specify either a ‘Straight Through’ or ‘Front-side Split’ con-
figuration.
Burner Type
The type of burner installed in the furnace. This value is relevant if the SRE-VMG correction is selected for the
S2 or H2 models.
The ‘High Efficiency’ burners have been available in the industry for approximately 20 years and are the default
for new SRU designs. The high efficiency burners provide excellent mixing characteristics and a short flame
length resulting in optimum ‘effective’ residence times.
The ‘Low Efficiency’ burners can be found in older SRUs and have either a very simple design or even an ‘open
pipe’ design. These burners had relatively poor mixing characteristics and a long flame length resulting in poor
‘effective’ residence times.
Burners in oxygen-enriched configurations are treated as ‘High Efficiency’.
Nat Gas Co-fire

Use for refineries with natural gas co-firing via ‘spiking’ (using the fuel system in place or adding fuel gas directly
into the acid gas line); or gas plant furnaces with a specially designed main burner that allows for continuous co-
firing of natural gas. This value is relevant if the SRE-VMG correction is selected for the S2 model. The results
of this setting are only applicable if the reaction furnace residence time is still a minimum of 0.8 seconds with the
fuel gas (and associated combustion air) added.
Configuration
Volume
The volume of the unit operation (assumes a cylindrical shape).
Length
The length of the unit operation.
Diameter
The diameter of the unit operation.
Calc. Res. Time

Check this item if you want the simulator to calculate the residence time from the volume and the outlet volu-
metric flowrate.
Heat Loss
Heat Loss Calc Type

Select from None, Simple or Detailed. If you select detailed, a separate Heat Loss Tab appears where you can
specify the necessary information. If you select Simple, specify the items below.
Heat Loss
The heat loss to surroundings. Note that the total duty that leaves the unit operation is Out Q plus Heat Loss
(when heat loss is enabled).
U
The overall heat transfer coefficient.
Outside Temp Source

Select from Specify (Uses External T below) or Ambient (Uses Global Ambient T).
External T
The outside temperature.
Material
This frame shows the conditions, composition and properties of the material at the inlet and outlet of the Claus
Reaction Furnace. The Connected Stream/UnitOp displays the streams or units attached to the inlet and outlet
of the Claus Reaction Furnace.
Heat Loss (Tab)

This tab contains all extra variables used to define detailed heat transfer in the unit operation. This tab only
becomes visible when the "Detailed" option for "Heat Loss Calc Type" is selected.
Detailed Heat Loss

This frame contains all of the heat loss associated variables from the Main Data frame on the Summary tab plus
a Layer Count variable.
Heat Loss
Heat lost to the environment. Note that the total duty that leaves the unit operation is Out Q plus Heat Loss
(when heat loss is enabled).
U
Overall heat transfer coefficient.
Layer Count
The number of reactor wall layers to be defined for the detailed heat loss should be given here. The first layer is
always assumed to be the reactor vessel wall and defines the Outer Diameter shown in the Summary tab.
Outside Data
Defines how the data that surrounds the unit such as External T is obtained. Specify when the value is input dir-
ectly on the unit and Ambient when the value is defined globally in the parent flowsheet.
External T
Ambient temperature used in heat transfer correlations.
Air Velocity
The air velocity perpendicular to the reactor's length. This velocity will be displayed only when a correlation
required it.
Heat Transfer Coeff

Information related to the convective heat transfer inside and outside the reactor vessel is defined within this
frame.
Inner HT Corr
The inner heat transfer correlation used on the inside of the reactor vessel is selected here.
Constant
The inner heat transfer coefficient can be specified directly into the Inner HTC variable when this option is selec-
ted.
FreeConv
This option assumes all heat transfer on the inside of the reactor tube is caused by natural or free convection.
The calculations use the general form of the Nusselt equation (Perry et al., 1997).
Dittus
This is a heat transfer correlation assuming fully developed turbulent flow as proposed by Dittus Boelter and
found similarly by Sieder and Tate (Peters and Timmerhaus, 1991). The main driving equation being used for
this option does not include the term for changing viscosity from center to wall temperatures.
HTubeMix
The heat transfer correlations used for this option are based off the region of Reynolds number and com-
parisons to the modified Grashof number for constant heat fluxes. The laminar to turbulent heat transfer equa-
tions used are based off the equation structure of Dittus with coefficients as proposed by Sieder and Tate
(Holman, 1997).
Inner HTC
The inner heat transfer coefficient value is either specified here (for Constant correlation) or displayed here as
calculated by the selected inner heat transfer correlation. When the calculated value is displayed here it does
not include radiant contributions and takes into account the inner HT scaling factor provided.
Inner HTC Scale

This value is multiplied by the calculated inner heat transfer coefficient before being applied to the overall heat
transfer of the operation. Only the inner convective heat transfer contribution is effected.
Outer HT Corr
The outer heat transfer correlation used on the outside of the reactor vessel is selected here.
Constant
The outer heat transfer coefficient can be specified directly into the Outer HTC variable when this option is selec-
ted.
Free Conv. Air

This option assumes all heat transfer on the outside of the reactor tube is caused by natural convection of dry air
at 1 atmosphere of pressure. The calculations use the general form of the Nusselt equation with a relation
between the Prandtl and Grashof numbers and the film coefficient dependent on reactor elevation (horizontal,
vertical, or slanted) and outside film condition air properties (Nellis and Klein, 2009) (Holman, 1997).
Forced Conv. Air

This option assumes forced convection associated with a specified air velocity, as provided in the Air Velocity
variable, is acting on top of the free convection for heat transfer on the outside of the reactor tube. This means
that this correlation becomes a free convection correlation as velocity goes to 0. The calculations use outside
film condition air properties and a generalized average heat transfer calculation assuming cross flow to the cyl-
indrical reactor (Knudsen and Katz, 1958) (Hilpert, 1933).
Outer HTC
The outer heat transfer coefficient value is either specified here (for Constant correlation) or displayed here as
calcalculated by the selected outer heat transfer correlation. When the calculated value is displayed here it does
not include radiant contributions and takes into account the outer HT scaling factor provided.
Outer HTC Scale

This value is multiplied by the calculated outer heat transfer coefficient before being applied to the overall heat
Radiant Heat Transfer

Information related to the radiant heat transfer inside and outside the reactor vessel is defined within this frame.
Do Inner Radiant Calc

Checking this option includes radiant heat transfer on the inside of the reactor vessel. The radiant heat transfer
is driven by an equation taking into account the process temperature, inner wall temperature, inner process
emissivity, and the wall emissivity (Kern, 1950).
For the inside of the reactor vessel the radiant heat transfer equation changes when the inner heat transfer cor-
relation selected is for fixed catalyst beds. In this situation the equation includes additions to account for catalyst
radiant back scattering (Chen and Churchill, 1963). This back scattering variable "b" is dependent on the poros-
ity of the catalayst bed, the process temperature, and the catalyst emissivity.
Note that for radiant heat transfer involving catalyst in the inside of the reactor the "Inner Wall Emissiity" should
be specified to that of the catalyst emissivity.
Inner Process Emissivity

The emissivity of the inner process fluid is entered here and should be a value between 0 and 1. Estimates of
this value can be determined based on considerations such as fluid composition and average process tem-
perature (Bahadori and Vuthaluru, 2009).
Inner Wall Emissivity

The emissivity of the reactor's inner wall is entered in this signal port for internal radiant heat transfer
calculations. An example would be an emissivity of 0.79 for an oxidized steel at ~600 C, or 0.28 for a mild mol-
ten steel surface ~1600 C (Hewitt, Shires, and Bott, 1994). Note that for radiant heat transfer involving catalyst
in the inside of the reactor this variable should be specified to that of the catalyst emissivity.
Do Outer Radiant Calc

Checking this option includes radiant heat transfer on the outside of the reactor vessel. The radiant heat trans-
fer is driven by an equation taking into account the ambient temperature, outside wall temperature, outer pro-
cess emissivity, and the wall emissivity.
Outer Process Emissivity

The emissivity of the outer process fluid is entered here and should be a value between 0 and 1. Estimates of
this value can be determined based on considerations such as fluid composition and average ambient tem-
Outer Wall Emissivity

The emissivity of the reactor's outer wall is entered in this signal port for internal radiant heat transfer
calculations.
Detailed Heat Loss. Layers

Data for the wall layers of the vessel is provided here. The variable area in this frame will automatically adjust to
the "Layer Count" variable provided in the "Detailed Heat Loss" frame. Conductive resistence through each
wall layer accounts for cylindrical geometry through a log mean surface area adjustment.
Layer Name
Default layer names for the reactor wall are provided, but can be customized using this variable entry.
Thermal Cond
The thermal conductivity of each wall layer can be provided here. Many heat transfer references have good tem-
perature dependent data for different metal thermal conductivities (Kern, 1950) (Holman, 1997) (Peters and
Timmerhaus, 1991).
Thickness
The thickness of each wall layer is provided here.
Wall Temperatures (Inner to outer wall)

Wall temperatures for each layergoing from the inside of the vessel in the first column to the outside wall of the
vessel in the last column.
Settings (Tab)
Numerical settings
Settings for the numeric calculations in this unit operation. The default values in this frame should be sufficient
for most problems.
Duty Max Iter

Duty Max Error

Duty Damping
Duty Max Step

IgnoreAir
This variable is true by default and it correctly ignores the air when using kinetic correlations from literature.
Bibliography
Monnery, W., Svrcek, W. and Behie, L.; “Modeling the Modified Claus Process Reaction Furnace and the
Implications on Plant Design and Recovery”; The Canadian Journal of Chemical Engineering, v71; p711-723;
October, 1993
Moore, B. “Simulation of Claus Sulfur plants”; M. Eng. Thesis from the University of Calgary, Canada, October,
1992
Claus Reaction Furnace Example

Add a Material Stream named Furnace Feed and specify the conditions as shown below.
Create a Claus Reaction Furnace and connect Furnace_Feed to its inlet. By default, the furnace is set for adia-
batic operation (OutQ = 0 Btu/h) and has a pressure drop of 0.5 psi specified. The furnace will have enough
information to solve and will appear as below.
Now modify the kinetic correction correlations. Begin by opening the Kinetic Correction frame by clicking on the
+ node.
Switch the CS2_Model to the Lunistra_dHaene correlation by using the pull down menu.
Once the Lunistra_dHaene correlation is selected, Residence Time will be added the Main Data frame.
The solved Claus Reaction Furnace should appear as below.
Claus Reducing Gas Generator

Claus Reducing Gas Generator
Main Flowsheet
PFD Stencil
Examples Claus\ClausReducingGasGenerator.vmp
General
The Claus Reducing Gas Generator heats a process stream by mixing it with the combustion product of a Fuel
Gas and an Air supply. The Claus Reducing Gas Generator will calculate the flow rates of both the Fuel Gas
and Air fed to the reducing gas generator based on a specified outlet temperature.
A schematic diagram and the connections of the Claus Reducing Gas Generator can be viewed by clicking the
Summary (Tab)
Main Data
A variety of specifications can be used to solve this unit. The composition, temperature and pressure of all the
feeds must be defined. The flow of the process stream must be defined. The amount of air must be defined (on
an absolute or relative basis) by specifying either Air Flow, O2 Fraction Excess, or O2 Outlet Fraction. Other
requirements depend on the input and output desired:
- specify the energy output (Out Q and Out T) to solve for Fuel Flow, or
- specify Fuel Flow and either Out Q or Out T
Out Q
Delta P
Out T
Delta T
O2 Fraction Excess
stoichiometric amount of oxygen and fraction greater than 0 indicates there is an excess of oxygen.
O2 Outlet Fraction
Burner T
Material
Fuel
the two can be used as a fuel source. At the very least a temperature, pressure and composition must be
defined for Fuel.
Air
The oxygen source that is used to combust fuel gas to heat the process stream. At a minimum, a temperature,
pressure and composition (including Oxygen) must be defined for Air.
Process
The process fluid to be heated by the reducing gas generator. If "Reactive Process" is checked in the Settings
Out
The heated process stream mixed with combustion product of the fuel and air streams.
This tab is used to define the components that are non-reactive in the combustion process. Note that non-react-
ive components will be ignored in the calculations for O2 Fraction Excess.

View the equilibrium results for the port selected in the pull down menu. Note that the 'CombustionFluid' is the
combustion product from the burner.
Settings (Tab)
Numerical Settings
Settings for the numeric calculations and other options in this unit operation. The default values in this frame
should be sufficient for most problems.
Duty Max Iter

Duty Max Error

Duty Damping
Duty Max Step

General Settings
Process Side is Reactive

Allow the process stream to participate in combustion reactions in the burner.
Claus Reducing Gas Generator Example

H2O, C1, C2, C3, S, S2, S3, S4, S5, S6, S7, S8, O2, N2, SO2, CO, H2, COS and CS2. Switch the unit set to
Field.
Name Fuel Air Process

Temperature (°F) 110 110 250
Pressure (psia) 20 20 17
Mole Flow (lbmol/hr) - - 1100
H2S mol fraction 0 0 0.005
CO2 mol fraction 0 0 0.14
Water mol fraction 0 0 0.315
Methane mol fraction 0.90 0 0
Ethane mol fraction 0.075 0 0
Propane mol fraction 0.025 0 0
Sulfur mol fraction 0 0 0
O2 mol fraction 0 0.21 0
N2 mol fraction 0 0.79 0.52
SO2 mol fraction 0 0 0.0025
CO mol fraction 0 0 0.001
H2 mol fraction 0 0 0.0165
COS mol fraction 0 0 0
CS2 mol fraction 0 0 0
Create a Claus Reducing Gas Generator and connect the Fuel, Air and Process streams to the appropriate
inlet of the reducing gas generator. Specify O2_FractionExcess and the OutT to be -0.1 (90% of the stoi-
chiometric value) and 525 °F, respectively. The Claus Reducing Gas Generator will have enough information to
solve and will appear as shown below.
Note that the flow rates of both the Fuel and Air streams are calculated by the Claus Reducing Gas Generator.
Claus Sulfur Detail

Claus Sulfur Detail
Main Flowsheet
PFD Stencil
Examples GPSAClausPlantExample.vmp
General
The Claus Sulfur Detail unit operation provides a convenient summary of important variable related to the sulfur
recovery.
A schematic diagram and the connections of the Claus Sulfur Detail can be viewed by clicking the Schematic /
Connection node.
Note that a Claus Sulfur Detail can be added to any material stream that is using the Claus Property Package,
by navigating to the Sulfur Detail Tab and then checking Activate Sulfur Detail.
Summary (Tab)
Main Data
(H2S:SO2) Ratio
Mole flow ratio of H2S to SO2.
Dew Point
Dew Point temperature of the mixture.
Calculate Excess Air

Enables excess air calculations.
Reference AG Stream
Reference acid gas stream used for excess air calculations.
Excess Air
Excess air calculated from the equation,
(2.0 * fracs[SO2_idx] - fracs[H2S_idx]) * mf / (xAG[H2S_idx] * mfAG)
where,
fracs = composition at the In port
mf = mole flow at the In port
xAG = composition of the acid gas reference stream
mfAG = mole flow of the acid gas reference stream
S1 Equiv MoleFlow
S1 equivalent mole flow of elemental sulfur.
Sx MoleFlow
Elemental sulfur mole flow calculated by averaging all the sulfur species.
x (Sulfur Species Number)
Average number for Sx
X (Sulfur Species Number)

Average number of atoms of sulfur.
This is the value used in Sx MoleFlow
S MassFlow
Mass flow of elemental sulfur.
Total S
Total mole flow of sulfur, including elemental sulfur and the sulfur contained in compounds.
S In Cmps
Mole flow of sulfur contained in compounds (i.e. does not include elemental sulfur).
H2S MoleFlow
Mole flow of H2S
HC MoleFlow
Mole flow of hydrocarbons
Mercaptan MoleFlow
Mole flow of mercaptans
Total C
Total mole flow of carbon, including elemental carbon contained in compounds.
Material
nected Stream/UnitOp displays the streams or units attached to the inlet and outlet of the Claus Sulfur Detail.
Claus Sulfur Detail Example

Add a Material Stream, To_Sulfur_Detail and specify the conditions as shown below.
Create a ClausSulfurDetail and attach To_Sulfur_Detail to its In material port.
The sulfur detail will look like below.
By assigning a reference acid gas stream, if one was present, one could check the Calculate Excess Air box
and find out how much excess air is present.
Claus Sulfur Pit

Claus Sulfur Pit
Main Flowsheet
PFD Stencil
Examples Claus\ClausSulfurPit.vmp
General
The Claus SulfurPit operation is designed to provide a convenient means of calculating the stage recoveries
and cumulative recoveries of the sulfur recovery plant. The Claus SulfurPit also has the ability to adjust ele-
mental sulfur and H2S in the Vapor and combine liquid outlets, respectively.
A schematic diagram and the connections of the ClausSulfurPit can be viewed by clicking the Schematic / Con-
nection node.
Inlets
This defines the number sulfur inlets to the Sulfur Pit. The default value is 4.
Summary (Tab)
Main Data
OutQ
Delta P
Pressure drop across the unit operation. The default value is 0 psi.
Recoveries (Based on Reference AG Stream)
Reference AG Stream
Reference acid gas stream used to calculate recovery information; it must contain all sulfur input to the plant.
The feed stream to the reaction furnace is an appropriate Reference AG Stream for most plant configurations.
Recoveries
These variables calculate the elemental sulfur recoveries per stage as well as cumulative. The names of these
variables are defined by the values in the “Stage Names” frame.
Assuming that,
In0 Stage Name = Thermal Stage
In1 Stage Name = Stage1
Recovery_ThermalStage
(S_Elemental_In0 – S_Elemental_RefAgStream) / S_InCompounds_RefAgStream.
CumRecovery_Stage1
((S_Elemental_In0 + S_Elemental_In1) – S_Elemental_RefAgStream) / S_InCompounds_RefAgStream.
Entrainment
S Approach to Eq
Approach to equilibrium in the separation of elemental sulfur. Defined as,
S_LiqPhase = (SLiqPhase_Eq) * (S Approach_to_Eq)
In other words, if ‘S Approach to Eq’ = 0 then no elemental sulfur goes to the liquid phase. If ‘S Approach to Eq’
= 1 then the elemental sulfur in the liquid phase is equal to the amount predicted by equilibrium.
S1 Equiv Vap
S1 Equiv Liq
S1 Liq Entrainment
Sulfur liquid entrainment in the vapour phase.
H2S Liq Content

H2S Eq Corr Factor

labeled differently because it is common to have this separation go beyond thermodynamic equilibrium due to
the configuration of the condenser. It is defined as,
H2S Vap
H2S Liq
Stage Names
These variables are used to associate a feed material port to a stage name. The values are used to generate
the names of the recovery variables. For example, if In0 Stage Name is changed from “ThermalStage” to
“MainStage”, then the variable called “Recovery_ThermalStage” will be renamed to “Recovery_MainStage”.
InX Stage Name

Stage name associated with the feed material port called InX. Note that no spaces are allowed in the name.
The default naming convention is shown in the previous figure.
Material Summary (Tab)

This tab shows the conditions, composition and properties of all of the inlets and outlets of the Sulfur Pit.
In0, In1… InN

Sulfur feeds from the plant to the Pit.
SweepGas
Sweep gas fed into the sulfur pit. This is commonly used to remove H2S entrained in the Sulfur.
Vap
Vapor product from the pit. The deviation from equilibrium is defined by the Entrainment variables.
Liq
Liquid product from the pit. The deviation from equilibrium is defined by the Entrainment variables..
Claus SulfurPit Example

Recall the ClausSulfurPit.vmp case from the Manual Examples Folder contained in Documentation Folder of
the VMGSim installation directory. The flow sheet will appear as shown below.
Create a ClausSulfurPit operation. Change the number of inlets to 3. Set Sour Feed as the Acid Gas Refer-
ence stream by selecting it from the Reference AG Stream pull down in the Recoveries Frame.
Create a material stream called Sweep Gas and define it as shown below, and connect it to the Sweep Gas
inlet.
Once the Sweep Gas stream is connected the sulfur pit will calculate both the individual stage and cumulative
stage recoveries as shown below.
Note that the GPSAClausPlantExample.vmp contains the sulfur pit as described by this example.
Claus Waste Heat Boiler

Claus Waste Heat Boiler
Main Flowsheet
PFD Stencil
Examples Claus\ClausWasteHeatBoiler.vmp
General
The Claus Waste Heat Boiler operation models a waste heat boiler using two modes of operation. The first
keeps track of only sulfur redistribution as the material passing through the waste heat boiler cools. The second
mode of operation takes both the sulfur redistribution and kinetic models into account in the quenching of H2
and CO through the Claus Waste Heat Boiler.
A schematic diagram and the connections of the ClausWasteHeatBoiler can be viewed by clicking the Schem-
Number of Segments
This defines the number of segments used for calculations performed by the ClausWasteHeatBoiler unit oper-
ation. The default value is 1 segment.
Summary (Tab)
Main Data
OutQ
Delta P
Out T
The Outlet temperature of the Claus Waste Heat Boiler.
Delta T
The temperature drop over the Claus Waste Heat Boiler.
Reaction Model
Allows the reactor model within the Claus Waste heat Boiler to be selected. Non Reactive is selected by
default.
Non Reactive
The Claus Waster Heat Boiler acts as a Claus Cooler and assumes that only sulfur redistribution reactions
occur. All reactions dealing with deviation from equilibrium in the reaction furnace are assumed to be accounted
for in the furnace upstream.
Kinetic
Uses kinetic models to take into account the quenching of H2 and CO through the Claus Waste Heat Boiler.
When this option is selected the kinetic correction model for H2 and CO the Claus reaction furnace should be
set to equilibrium.
Note the Kinetic option is based on the following references :
Reaction 0: CO + 1/2S2 <-> COS

Reference: K. Karan, A. Mehrotra, L. Behie, Use of New reaction kinetics for COS formation to achieve
reduced sulfur emissions from Claus plants, Can. Journal of Chemical Eng, Vol 77, april 1999.
Reaction 1: H2 + 1/2S2 <-> H2S

Reference: L. Nasato, K. Karan, A. Mehrotra, L. Behie, Modeling reaction quench times in the waste heat boiler
of a Claus plant, Ind. Eng. Chem. Res., 1994, 33, 7-13
Steam Condition
The Steam Condition frame allows the steam raised by the Claus Waste Heat Boiler to be estimated or spe-
cified. By default the steam will have a pressure of 1,000 psig and the boiler feed water will be saturated. Sat-
urated water requires two specifications from different categories, either process side energy, steam side
energy or steam side flow rate. Sub cooled feed water can be selected using the drop down menu from the
Feed Water Condition parameter. Feed water temperature and a steam energy specification must be provided
for sub cooled feed water.
Mole Flow
Mole flow rate of utility stream.
Mass Flow
Mass flow rate of utility stream.
Pressure
Pressure of utility side of Claus Waste Heat Boiler. Defaults to 1,000 psig.
Out Temp
Temperature of steam raised by Claus Waste Heat Boiler.
Out VapFrac
Molar vapour fraction of steam raised by Claus Waste Heat Boiler.
Feed Water Condition

Drop down menu allows selection of saturated or sub cooled boiler feed water. Saturated by default.
Feed Water Temp

Temperature of the boiler feed water.
Reactor Configuration
A Reactor Configuration frame will become available when the Reaction Model is set to Kinetic. The Reactor
Configuration frame allows the configuration of the parameters used when the Kinetic model is selected to be
modified.
Inner Diameter
Inside diameter of the tubes in the waste heat boiler.
Outer Diameter
Outside Diameter of the tubes in the waste heat boiler.
Number of Tubes
Number of tubes in the waste heat boiler. If not specified, then the Mass Flux must be specified.
Mass Flux
Mass flux desired in the waste heat boiler. If not specified, then the Number of Tubes must be specified.
Tube Wall T
Wall temperature used in the heat transfer calculations.
Pipe Selection
A Pipe Selection Button will become available when the Reaction Model is set to Kinetic. The Pipe Selection
Button allows the inside and outside tube diameters to be selected from a list of standard pipes sizes. Click the
Pipe Selection button to bring up the following form. Click on the desired pipe displayed in the list and click Ok to
add the dimensions to the Reactor Configuration.
Material
Drop down menu that allows the pipe material to be selected. Commercial steel pipe and stainless steel pipe
are the available options.
Source
Drop down menu that allows the data source of the displayed list of pipes to be selected. The available options
will change depending on the material type selected.
Type
Drop down menu that allows the type of pipes displayed to be selected. The available options in the Type drop
down menu, or if the type option will appear, depends on the pipe material and the source of the pipe list.
Pipe Selection List

The pipe selection list will display details about the type and nominal size of pipe as well as the actual thickness
inner diameter and outer diameter of the pipe in both inches and mm.
Profile Tab
Allows selected properties to be viewed for each segment in the Claus Waste Heat Boiler.
Add/Remove
Plot Tab
X-Variable
Y-Variable
Plot Window
Plot Control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Claus Waste Heat Boiler Example

Add a Material Stream, To WHB and specify the conditions as show below.
Create a Claus Waste Heat Boiler and connect To WHB to its inlet. Specify the OutT to be 700 °F. By default,
the waste heat boiler has a specified pressure drop of 1 psi. The WHB will have enough information to solve
and will appear as shown below.
Change the Reaction Model to Kinetic using the pull down menu.
Once the Kinetic model is selected a Reactor Configuration frame will be added to the waste heat boiler. After
expanding the Reactor Configuration frame the Claus Waste Heat Boiler frame will appear as shown below.
Note the Number of Tubes required for the waste heat boiler has been estimated.
Claus Operations Dynamics

Claus Condenser - Dynamics
Main Flowsheet
PFD Stencil
Examples Claus\Dynamics\Claus Condenser
Dynamic.vmp
Claus\Dynamics\Direct Oxidation
Dynamic.vmp
General
The Claus Condenser operation models a sulfur condenser. As such, the Claus Condenser monitors the sulfur
redistribution among the Sx species. It also has the ability to adjust the amount of Sulfur entrainment in the
vapor outlet and the amount of H2S in the liquid outlet.
A schematic diagram and the connections of the ClausCondenser can be viewed by clicking the Schematic /
Connection node.
Summary (Tab)
Main Data
OutQ
Delta P
Pressure drop across the unit operation, the default value is 0.25 psi.
k
Uses the relationship f(mass) = k*sqrt(density*delta P). k is similar to a valve Cv and defines the flow con-
ductance for the equipment
Out T
The Outlet temperature of the Claus Condenser.
Delta T
The temperature drop over the Claus Condenser.
Cond Recovery
Elemental sulfur recovered through separation to the liquid phase in the condenser. Defined as
(S1 Equiv Liq / S1 Equiv Feed)
Stage Recovery
Fraction of non-elemental sulfur in ‘Reference AG Stream’ recovered as elemental sulfur in the stage of the con-
denser. It is defined as,
(S1_Equiv_Liq – S1_Equiv_RefStream) / (S_InCompounds_RefStream)
Reference AG Stream
Reference acid gas stream used to calculate Stage Recovery. This stream must contain the total input of sulfur.
The feed stream to the reaction furnace is an appropriate reference AG stream for most plant configurations.
Percent Level Liq

The liquid level percent in the condenser. This can be used to set up level control using the liquid product.
Level Liq
The liquid level in the condenser. This can be used to set up level control using the liquid product.
Liquid Dipleg
Enables level control using liquid dipleg.
Entrainment Data
S1 Equiv Vap
S1 Equiv Liq
S1 Liq Entrainment
Sulfur liquid entrainment in the vapour phase. To activate entrainment, set this value.
H2S Liq Content

H2S Eq Corr Factor

labeled differently because it is common to have this separation going beyond thermodynamic equilibrium due
to the configuration of the condenser. It is defined as,
H2S Vap
H2S Liq
Geometry
A claus condenser is assumed to be horizontal or vertical cylinder. If only the volume is specified, a default L/D
of 2.0 will be assumed.
Orientation
The claus condenser orientation – vertical or horizontal.
Inclination
The claus condenser angle of inclination – 0° - 90° : Inlet is higher, 90° - 180° : Outlet is higher (¹See below for
more details).
Length
The claus condenser length.
Diameter
The claus condenser diameter.
Volume
The claus condenser volume .
Heat Loss Calc Type

Enables selection different calculators with varying levels of information requirements and fidelity . If Simple or
Detailed is selected, a Heat Loss tab appears.
¹More details for Condenser Inclination
Heat Loss (Tab)

Heat loss calculators are used to calculate heat loss from equipment such as separators and heat exchangers.
There are different calculators with varying levels of information requirements and fidelity. They are selected by:
Heat Loss Calc Type
Simple Heat Loss

This models calculates heat loss using an overall Q = UA * delta T model
Duty
Calculated duty.
UA
Overall heat transfer factor.
U
Area
The inner area for heat transfer.
Process T
The weighted average process side temperature.
Outside Data
Select between using the global ambient temperature and a specified value.
Ambient Temperature
The global ambient temperature.
Outside T
Use this to specify the temperature if Specify is selected.
Outside T
The outside temperature - either the user specified value or the ambient temperature.
Detailed Heat Loss

This model calculates heat loss based specified values for the equipment wall layers
Duty
Calculated duty
Process T
The weighted average process side temperature
Layer Count
The number of layers of material in the equipment wall
Outside Temp Source
Select between using the global ambient temperature and a specified value
Ambient Temperature
The global ambient temperature
Outside T
Use this to specify the temperature if Specify is selected
Heat Transfer Coeff

In this frame the Heat Transfer Coefficients are specified
Inner HTC Corr.

The correlation for calculating the inner heat transfer coefficient.
Inner HTC
The heat transfer coefficient between the process fluid and the inner wall
Inner HTC Scale

Scale to be applied to the calculated Inner HTC value. Note that the reported HTC value is the unscaled value,
but that the scaled value will be used to calculate heat duty.
Outer HTC Corr.

The correlation for calculating the outer heat transfer coefficient.
Outer HTC
The heat transfer coefficient between the outer wall and the surroundings
Outer HTC Scale

Scale to be applied to the calculated Outer HTC value. Note that the reported HTC value is the unscaled value,
Information related to the radiant heat transfer inside and outside the condenser is defined within this frame.

Checking this option includes radiant heat transfer on the inside of the condenser. The radiant heat transfer is
driven by an equation taking into account the process temperature, inner wall temperature, inner process


The emissivity of the inner wall is entered in this signal port for internal radiant heat transfer calculations. An
example would be an emissivity of 0.79 for an oxidized steel at ~600 C, or 0.28 for a mild molten steel surface
~1600 C (Hewitt, Shires, and Bott, 1994).

Checking this option includes radiant heat transfer on the outside of the condenser.
Radiant HT Method
The method used to calculate the radiant heat transfer on the outside of the condenser.
Grey Body
The same equation as the inner radiant calculation. The radiant heat transfer is driven by an equation taking
into account the process temperature, outer wall temperature, outer process emissivity, and the wall emissivity
(Kern, 1950).
ISO Fire Heat

The radiant heat transfer is driven by an equation taking into account the process temperature, outer wall tem-
perature, outer process emissivity, and the wall emissivity and absorptivity given in ISO/DIS 23251.


The emissivity of the outer wall is entered in this signal port for outer radiant heat transfer calculations.
Outer Wall Absorptivity

The absorptivity of the outer wall is entered in this signal point for outer radiant heat transfer calculations. This
value is only used if the Radiant HT Method is set to ISO Fire Heat.
Layer Name
A name for each wall layer. The program provides default names
Density
The wall material density. Required so that VMGSim can calculate the overall heat capacity.Default value for
layer 1 is for mild steel. Default value for layer 2 is for fiberglass insulation.
Heat Capacity
The specific heat capacity for the wall material. Default value for layer 1 is for mild steel. Default value for layer 2
is for fiberglass insulation.
Thermal Conductivity
The thermal conductivity for the wall material. Default value for layer 1 is for mild steel. Default value for layer 2
Thickness
The wall thickness for each layer
Walls Detailed
Area
The area for heat transfer at each boundary between layers. If you have two layers, these would be pro-
cess/layer-1, layer1/layer-2 and layer2/outside.
For some equipment types such as separators, VMGSim calculates these based on the supplied equipment
geometry.
Duty
The heat flux across each layer boundary (correspond to the boundaries where areas are specified)
Temperature
The temperature at each layer boundary. For a two layer case, these would be process/ layer-1, layer-1/layer-
2, and layer-2 /outside.
Nozzles (Tab)
Nozzles model the connection points for unit operations, and mirror the physical connection points for equip-
ment. For many applications, the default settings for nozzles provided by the simulator are sufficient, and no
user intervention is required. Nozzle geometry impacts the simulation in the following ways:
Where the phase fraction of the fluid leaving the equipment is determined by the nozzle location and diameter –
e.g. a separator
When static head calculations are enabled. Nozzle elevation will impact the static head contributions
Unit Op Elevation
The elevation relative to ground for the reference line for the equipment. All other elevations are relative to this.
Fitting K
Specify this if you need additional pressure drop to account for fitting losses. The pressure drop is calculated
from
For pipes, go to the Detail Tab, and either specify K there, or select the fitting type
Diameter
The nozzle diameter. For unit operations that have physical dimensions, such as the separator, the diameter
defaults to 5% of the vertical dimension. For other unit operations, the diameter defaults to 50 mm.
Elevation
Specify one of:
Elevation
The nozzle elevation relative to the equipment baseline
Elev. Rel Ground

The nozzle elevation above ground level (See below for more details¹).
Elev Percent
The elevation is specified as a percentage of the vertical dimension of the equipment. This option is convenient,
but can be used only for equipment such as separators that have a vertical dimension
Efficiency
The type of efficiency calculation required . Selecting Equilibrium will set all values to 100%, while selecting
Zero will set all values to zero.
This specification affects what percentage of the feed will be flashed together with the holdup contents, and
what percentage will bypass the flash and mix directly with the corresponding phase in the holdup.
See also the explanation about holdup efficiencies in the section below.
Static Head Calc Status

This reports whether static head calculations are enabled or not. To change the behavior, go to the flowsheet
form (Settings | Do Static Head Calcs)
Internal Static Head

This is the static head difference between the nozzle and the holdup reference point. Nozzle pressure + static
head = holdup reference pressure. Only calculated/reported if enabled on flowsheet form (Settings | Do Static
Head Calcs)
External Static Head

This is the static head difference between the nozzle, and the nozzle on another unit operation that is connected
to this nozzle. Upstream nozzle pressure + static head = downstream nozzle pressure. Only cal-
culated/reported if enabled on flowsheet form (Settings | Do Static Head Calcs)
Kinetic Head Calc Status

This reports whether kinetic head calculations are enabled or not. To change the behavior, go to the flowsheet
form (Settings | Do Kinetic Head Calcs)
Kinetic dP
The difference in pressure between the nozzle and the holdup attributable to kinetic energy. This is the actual
pressure recovered or lost. This may differ from reversible conversion because of entry/exit losses. Only cal-
culated/reported if enabled on flowsheet form (Settings | Do Kinetic Head Calcs), and the nozzle diameter is
specified.
Velocity
This reports the calculated fluid velocity in the nozzle. The nozzle diameter must be specified for the calculation
to take place.
Total Pressure
This reports the total pressure in Nozzle that includes static head, choke pressure, and pressure attributable to
kinetic energy .
Enlarger Angle
Enlarger/Reducer Angle for feed nozzles can be specified here.
.
¹More details for Nozzle Elevations
Holdup (Tab)
Init From
You can initialize the holdup using any stream in the simulation. All properties except levels/mols will be ini-
tialized to the stream values.
The initialization takes place once at the time that you make the selection. You can repeat the initialization from
the same stream by clicking the button which appears once a stream has been selected.
Summary
Volume
The holdup volume. For most equipment, this is specified or calculated on the Summary Tab, and is reported
here for convenience.
T
The weighted average temperature in the holdup. Typing a value will initialize all phase temperatures to that
value.
P
The holdup reference pressure at which VLE calculations are performed
MoleFraction
This node can be expanded to view the bulk holdup composition. Clicking in the area to the right of the Mole
Fraction Label, or typing in any of the component cells brings up an edit box which allows editing/initialization of
the holdup composition.
Duty
The heat duty applied to the holdup. This is either specified at the unit operation level, or calculated by the unit
operation.
Elevation
The reference elevation for the holdup
Total Mol Inv

The total number of mols present in the holdup
Phase Mol Inv

The number of mols of each phase present in the holdup
Total Mass Inv

The total mass present in the holdup
Phase Mass Inv

The mass of each phase present in the holdup
Efficiency Type
Most simulation modeling is performed using the assumption that material is at thermodynamic equilibrium. In
reality, this may not be the case, because of low interfacial mass transfer. One way to model this is using the
concept of efficiencies. Efficiencies are used in steady state modeling to more accurately represent trays in a dis-
tillation column.
In dynamics, efficiencies can be specified for all unit operations which process material. The holdup tab allows
entry of nozzle efficiencies and holdup efficiencies. Nozzle efficiencies model the degree of equilibrium reached
between material entering the holdup and the material already in the holdup. Holdup efficiencies model the
movement towards equilibrium of the material already in the holdup. Efficiencies are specified on a per-phase
basis, since the degree of contact and rate of mass transfer may be different for each phase.
Holdup Efficiencies
Holdup efficiencies are specified under Holdup|Efficiency.
Efficiency Type
l Equilibrium – All phase efficiencies are 100%
l None – All phase efficiencies are 0%
l Time – The first order time constant for each phase for reaching equilibrium
l Efficiency – All phase efficiencies are the user specified value
If you want to model an approach to equilibrium over time, the recommended Efficiency Type is Time. This spe-
cifies a first order time constant – i.e. the time that it takes to proceed 68% of the distance towards equilibrium.
If you select Efficiency, be aware that the time to reach equilibrium will be impacted by the integrator stepsize,
because the holdup contents will move a fixed percentage towards equilibrium every time a flash calculation is
performed.
Nozzle Efficiencies
Nozzle efficiencies are specified under Holdup|Nozzles|[Nozzle Name]|Efficiency.
Efficiency Type
l Efficiency – Phase efficiencies are the user specified values
l Nozzle efficiencies can be specified for product nozzles as well. These efficiencies will be used if the
flow reverses (i.e. the product nozzle becomes a feed to the holdup). If you have specified nozzle effi-
ciencies for feed nozzles, it is best practice to specify them for product nozzles as well.
Level
The calculated liquid levels for the unit operation/holdup. If the unit operation has more than one holdup, it is the
levels associated with this holdup.

Notes (Tab)
A rich text editor where the user can store notes related to the unit op.
Claus Condenser - Dynamics Example

Add a Material Stream named To_Condenser and specify the conditions as shown below.
Create a Claus Condenser and connect To_Condenser to its inlet. Specify the OutT to be 350 °F. By default
the condenser has a pressure drop of 0.25 psi specified. The condenser will have enough information to solve
Create an Acid Gas material stream as defined below.
Now use the AG Reference Stream pull down in the Main Data frame to select the Acid Gas Stream.
Once selected, the Stage Recovery base on the Acid Gas stream will be calculated as shown below.
Claus Converter - Dynamics

Main Flowsheet
PFD Stencil
Examples Claus\Dynamics\Claus Converter
Dynamic.vmp
Dynamic.vmp
General
The Claus Converter operation models a catalytic converter in which H2S and SO2 react to form sulfur. The
Claus Converter also calculates the hydrolysis of COS and CS2 to form H2S. The extent to which these three
reactions occur can be configured. The Claus Converter assumes that H2 and CO are non-reactive.
Connection node.
Number of Segments
This defines the number of segments used for calculations performed by the Claus Converter unit operation.
The default value is 5 segments.
Summary (Tab)
Main Data
By default the Main Data frame will contain the following information, the values contained in the Main Data
OutQ
Delta P
Pressure drop across the unit operation. The default value is 0.25 psi. If the delta P is not specified, it will be cal-
culated based on the supplied geometry and catalyst data.
MinDewP Margin
The difference between the reactor temperature and its dew point is commonly known as Dew Point Margin.
The Claus Converter unit operation provides the MinDewPointMargin which is the minimum dew point margin
found along the reactor.
CS2 AppToEq
Approach to equilibrium of CS2 defined as
COS AppToEq
Approach to equilibrium of COS defined as
S Conv Eff
H2S Conv
CS2 HydConv
Fraction of hydrolysis of CS2 for the reaction, CS2 + 2H2O = CO2 + 2H2S.
COS HydConv
Fraction of hydrolysis of COS for the reaction, COS + H2O = CO2 + H2S.
S In Cmps (Feed)
Non-elemental sulfur in feed stream.
S In Cmps (Outlet)
Non-elemental sulfur in outlet stream.
Kinetic Correction
The Kinetic Correction Frame allows the user to select correlations/models used by the Claus Converter in
order to account for the kinetic effects in the converter. By default this frame is closed, but can be opened by
clicking on the node.
CS2 Model
CS2 + 2H2O = CO2 + 2H2S
Equilibrium
ApproachToEq
SRE-VMG
Calculates the amount of CS2 that is hydrolyzed back to H2S across the catalyst bed using a correlation
COS Model
Equilibrium
ApproachToEq
SRE-VMG
Calculates the amount of COS that is hydrolyzed back to H2S across the catalyst bed using a correlation
H2S Model
The main reaction of H2S is,
H2S + 1/2SO2 = 3/2S + H2O
Equilibrium
ApproachToEq
Calculates the fractional approach to equilibrium of H2S defined as,
This option fixes the amount of H2S in the outlet based on a previous calculation of H2S in equilibrium taking
into account any specifications for COS and CS2. When this option is selected a signal port that must be spe-
cified will automatically be created.
Catalyst Type
The type of catalyst installed in the converter. This parameter is applicable if hydrolysis is modeled using SRE-
VMG correlations. At this time, 3 catalyst types are supported: regular alumina, promoted titania (approx.
30% TiO2), and full titania (approx. 85% TiO2).
Catalyst Age
The lifecycle stage of the catalyst being modeled. This parameter is applicable if hydrolysis is modeled using
SRE-VMG correlations and alumina catalyst is in use.
Catalyst Data
This frame shows information about the catalyst properties. The information is used to calculate pressure drop
and thermal inertia.
Catalyst Data
Catalyst Shape
This drop down allows the catalyst shape to be chosen as either Trilobe, Sphere, Cylinder, or Hollow Cylinder.
Packing
To assist in better catalyst based pressure drop predictions the loading of the catalyst can be refined further in
this option. Bed void fractions calculated will alter based on this setting.
Diameter
The diameter of the catalyst is provided here. Every shape option for the catalyst requires a known diameter.
Aspect Ratio
If a catalyst shape other than sphere is chosen the aspect ratio of the catalyst must be provided here. This value
is taken as the Length/Diameter ratio.
Hollow ID
This value is the inner diameter of a catalyst particle and is only necessary for hollow cylinder shape selection.
Thermal Cond
The average thermal conductivity of the catalyst bed.
Heat Capacity
The average specific heat capacity of the catalyst bed.
Bed Void Fraction

The resulting bed void fraction being calculated from other catalyst input data is shown here. The major driving
equations for the bed void fraction are based off the catalyst shape, diameter, and aspect ratio (Benyahia and
O'Neill, 2005).
Geometry
The catalyst bed is assumed to be a vertical cylinder with the gas flowing downwards.
Volume
The volume of the catalyst bed.
Length
The length of the catalyst bed.
Diameter
The diameter of the catalyst bed.
Pres Drop Tune

A multiplier which is applied to the calculated bed pressure drop.
Heat Loss
Heat Loss Calc Type

U
Outside Temp Source

External T
Material
nected Stream/UnitOp displays the streams or units attached to the inlet and outlet of the Claus Converter.
Profile Tab
Allows selected properties to be viewed for each segment in the Claus Converter.
Add/Remove
Plot Tab
X-Variable
Y-Variable
Plot Window
Plot Control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Heat Loss (Tab)

This tab contains all extra variables used to define detailed heat transfer in the reactor operation. This tab only
Detailed Heat Loss

Layer Count
Heat Transfer Coeff

frame.
Inner HT Corr
Constant
ted.
FreeConv
Dittus
HTubeMix
(Holman, 1997).
Rigorous (Not Available In Dynamics)

This option of inner heat transfer calculations takes into account all the different mechanisms for sensible, boil-
ing, and condensing regions. Details of the heat transfer correlations used for this option can be found in the
heat exchanger rating section of this manual.
Catalyst (Matsuura)
Heat transfer within a fixed catalyst bed situation should use this option with fully defined catalyst information in
the "Catalyst Data" frame. The overall heat transfer is calculated using a general form for a pseudo-homo-
geneous one dimensional model (Steynberg and Dry, 2004).
The effective thermal conductivity of the catalyst bed is calculated with potential for both vapor and co-current
downward liquid trickle terms (Matsuura et al, 1980).
Inner HT
Inner HT Scale
Outer HT Corr
Constant
ted.
FreeConvAir
vertical, or slanted) and outside condition air properties (Nellis and Klein, 2009) (Holman, 1997).
FreeConvWater
This option assumes all heat transfer on the outside of the reactor tube is caused by natural convection of liquid
water at 1 atmosphere of pressure. The calculations use the general form of the Nusselt equation with a rela-
tion between the Prandtl and Grashof numbers and the film coefficient dependent on reactor elevation (hori-
zontal, vertical, or slanted) and outside condition air properties (Nellis and Klein, 2009) (Holman, 1997). Boiling
region mechanisms for increased heat transfer are not considered within this option.
Outer HT
calculated by the selected outer heat transfer correlation. When the calculated value is displayed here it does
Outer HT Scale

ity of the catalyst bed, the process temperature, and the catalyst emissivity.
Note that for radiant heat transfer involving catalyst in the inside of the reactor the "Inner Wall Emissivity" should

this value can be determined based on considerations such as fluid composition and average process
temperature (Bahadori and Vuthaluru, 2009).




calculations.
Data for the wall layers of the reactor vessel is provided here. The variable area in this frame will automatically
adjust to the "Layer Count" variable provided in the "Detailed Heat Loss" frame. Conductive resistance through
each wall layer accounts for cylindrical geometry through a log mean surface area adjustment.
Layer Name
Density
The density of the wall layer. The first layer defaults to the density of mild steel and the second layer to fiber-
glass.
Heat Capacity
The heat capacity of the wall layer. The first layer defaults to the heat capacity of mild steel and the second layer
to fiberglass.
Thermal Cond
The thermal conductivity of each wall layer can be provided here. The first layer defaults to the thermal con-
ductivity of mild steel and the second layer to fiberglass. Many heat transfer references have good temperature
dependent data for different metal thermal conductivities (Kern, 1950) (Holman, 1997) (Peters and Tim-
merhaus, 1991).
Thickness
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

The nozzle elevation above ground level
Elev Percent
Efficiency


Head Calcs)


Kinetic dP
pressure recovered or lost. This may differ from reversible conversion because of entry/exit losses. Only
calculated/reported if enabled on flowsheet form (Settings | Do Kinetic Head Calcs), and the nozzle diameter is
specified.
Velocity
to take place.
Total Pressure
This reports the total pressure in Nozzle that includes static head, choke pressure and pressure attributable to
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Claus Cooler - Dynamics

Main Flowsheet
PFD Stencil
Examples Claus\Dynamics\Claus Cooler

Dynamic.vmp
General
The Claus Cooler tracks the sulfur redistribution among the Sx species when cooling the process stream flow-
ing through it.
A schematic diagram and the connections of the ClausCooler can be viewed by clicking the Schematic / Con-
nection node.
Summary (Tab)
Main Data
OutQ
OutT
The Outlet temperature of the Claus Cooler. Defined as T_Inlet – T_Outlet
Delta P
Heat Loss
The heat lost to the environment.
Liquid Level %
The liquid level expressed as a percent of the vertical dimension.
Liquid Level
The liquid level in the cooler.
Cooler Configuration
Volume
The fluid volume on the process side.
k
Hydraulic conductance - similar to a valve Cv. Uses the relationship f(mass) = k*sqrt(density*delta P).
Heat Loss Calc Type

The type of heat loss calculations required. Select from {None, Simple, Detailed]. If Simple or Detailed is selec-
ted, a Heat Loss tab appears.
Orientation
The orientation of the cooler. Select from [Horizontal, Vertical].
Inclination
The angle of inclination of the cooler – 0° - 90° : Inlet is higher, 90° - 180° : Outlet is higher (¹See below for more
details).
Length
The length of the cooler.
Diameter
The diameter of the cooler.
Phase Fraction Calc

The method for calculating the phase fraction in the product stream. Select from:
l Simple - The phase fraction leaving is the same as the phase fraction in the cooler
l Level - The phase fraction is calculated based on hte liquid level and the location of the product nozzle
¹More details for Coolers Inclination
Heat Loss (Tab)

Heat Loss Calc Type
Simple Heat Loss

Duty
Calculated duty.
UA
U
Area
Process T
Outside Data
Ambient Temperature
Outside T
Outside T
Detailed Heat Loss

Duty
Calculated duty
Process T
Layer Count
Outside Temp Source
Ambient Temperature
Outside T
Heat Transfer Coeff

Inner HTC Corr.

Inner HTC
Inner HTC Scale

Outer HTC Corr.

Outer HTC
Outer HTC Scale

Information related to the radiant heat transfer inside and outside the unit op is defined within this frame.

Checking this option includes radiant heat transfer on the inside of the unit op. The radiant heat transfer is



Checking this option includes radiant heat transfer on the outside of the unit op.
Radiant HT Method
The method used to calculate the radiant heat transfer on the outside of the unit op.
Grey Body
(Kern, 1950).
ISO Fire Heat



Layer Name
Density
Heat Capacity
Thickness
Walls Detailed
Area
geometry.
Duty
Temperature
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Claus Direct Fired Reheater - Dynamics

Main Flowsheet
PFD Stencil
Examples Claus\Dynamics\Claus Direct
Fired Heater Dynamic.vmp
General
The Claus Direct Fired Heater heats a process stream by mixing it with the combustion product of a Fuel Gas
and an Air supply. In dynamics, the fuel rate must be set externally. The air can be set externally, or can be cal-
culated by oxygen balance.
A schematic diagram and the connections of the ClausDirectFiredReheater can be viewed by clicking the
Schematic / Connections node.
Summary (Tab)
Main Data
In dynamics, the fuel flow is always externally specified. One out of Out Q, Out T or delta T must be specified,
and the unit op will calculate the others. Air flow can either be specified directly, or can be calculated from either
a O2 Fraction excess or O2 Outlet Fraction specification.
Out Q
Delta P
Out T
Delta T
O2 Fraction Excess
O2 Outlet Fraction
Burner T
Configuration
k
The flow conductance for calculating pressure drop. Uses the relationship f(mass) = k*sqrt(density*delta P). k
is similar to a valve Cv.
Volume
The tube side volume of the cooler
Length
The tube length for the cooler
Diameter
The effective diameter for the tube side of the cooler
Material
Fuel
the two can be used as a fuel source. A temperature, pressure and composition must be defined for Fuel at the
very least.
Air
The oxygen source that is used to combust fuel gas to heat the process stream. A temperature, pressure and
composition (including Oxygen) must be defined for Air at the very least.
Process
The process fluid to be heated by the direct fired heater. If "Process Side is Reactive" is checked in the Settings
Out
The heated process stream mixed with the combustion product of the fuel and air streams.
This tab is used to define the components that are non-reactive in the burner.
The following reactions are generally applied in the burner combustion calculations. Reactions with at least one
non-reactive component are ignored. Non-reactive components are also ignored in the calculations for O2 Frac-
tion Excess.
Cx + (x)O2 -> xCO2
CxHy + (x + y/4.0)O2 -> (y/2.0)H2O + xCO2
H2S + 3/2O2 -> H2O + SO2
Sx + (x)O2 -> xSO2
CS2 + 3O2 -> 2SO2 + CO2
COS + 3/2O2 -> SO2 + CO2
CO + 1/2O2 -> CO2
Hx + (x/4)O2 -> (x/2)H2O
NH3 + 3/4O2 -> 6/4H2O + 2/4N2
H4N2 + O2 -> 2H2O + N2
HCN + 5/4O2 -> 1/2H2O + 1/2N2 + CO2
PH3 + 2O2 -> 3/2H2O + 1/4P4O10
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Claus Heater - Dynamics

Main Flowsheet
PFD Stencil
Examples Claus\Dynamics\Claus Heater

Dynamic.vmp
Dynamic.vmp
General
The Claus Heater tracks the sulfur redistribution among the Sx species when heating the process stream flow-
ing through it.
A schematic diagram and the connections of the ClausHeater can be viewed by clicking the Schematic / Con-
nection node.
Number of Segments
This defines the number of segments used for calculations performed by the Claus Heater unit operation. The
Summary (Tab)
Main Data
InQ
Energy added to the unit operation.
OutT
The Outlet temperature of the Claus Heater.
Delta P
The pressure drop over the Claus Cooler.
Heat Loss
The heat lost to the environment.
Liquid Level %
The liquid level expressed as a percent of the vertical dimension.
Liquid Level
Heater Configuration
Volume
k
Hydraulic conductance - similar to a valve Cv. Uses the relationship f(mass) = k*sqrt(density*delta P).
Heat Loss Calc Type

The type of heat loss calculations required. Select from {None, Simple, Detailed]. If Simple or Detailed is selec-
Orientation
The orientation of the heater. Select from [Horizontal, Vertical].
Inclination
The angle of inclination of the heater – 0° - 90° : Inlet is higher, 90° - 180° : Outlet is higher (¹See below for more
details).
Length
The length of the cooler.
Diameter
The diameter of the cooler.
Phase Fraction Calc

The method for calculating the phase fraction in the product stream. Select from:
l Simple - The phase fraction leaving is the same as the phase fraction in the cooler
l Level - The phase fraction is calculated based on hte liquid level and the location of the product nozzle
¹More details for Heaters Inclination
Heat Loss (Tab)

Heat Loss Calc Type
Simple Heat Loss

Duty
Calculated duty.
UA
U
Area
Process T
Outside Data
Ambient Temperature
Outside T
Outside T
Detailed Heat Loss

Duty
Calculated duty
Process T
Layer Count
Outside Temp Source
Ambient Temperature
Outside T
Heat Transfer Coeff

Inner HTC Corr.

Inner HTC
Inner HTC Scale

Outer HTC Corr.

Outer HTC
Outer HTC Scale





Radiant HT Method
Grey Body
(Kern, 1950).
ISO Fire Heat



Layer Name
Density
Heat Capacity
Thickness
Walls Detailed
Area
geometry.
Duty
Temperature
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Claus Hydrogenator - Dynamics

Main Flowsheet
PFD Stencil
Examples Claus\Dynamics\Claus Hydro-
genator Dynamic.vmp
General
The Claus Hydrogenator operation models a catalytic Hydrogenator that promotes the production of H2S.
These are the main reactions involved:
Hydrogenation
SO2 + H2 -> H2S + O2
S + H2 -> H2S
MERCAPTAN + H2 -> HYDROCARBON + H2S
Hydrolysis
COS + H2O -> CO2 + H2S
CS2 + 2H2O -> CO2 + 2H2S
Water shift
CO + H2O -> CO2 + H2
Connection node.
Summary (Tab)
Main Data
OutQ
Delta P
Kinetic Correction
The Kinetic Correction Frame allows the user to select correlations/models used by the Claus Hydrogenator in
order to account for the kinetic effects in the Hydrogenator. By default this frame is closed, but can be opened
by clicking on the node.
CS2_Model
CS2 + 2H2O = CO2 + 2H2S
Equilibrium
ApproachToEq
Conversion
COS_Model
Equilibrium
ApproachToEq
Conversion
CO_Model
The main reaction of CO is the water shift,
CO + H2O = CO2+ H2
Equilibrium
ApproachToEq
Calculates the fractional approach to equilibrium of CO defined as,
This option fixes the amount of CO in the outlet based on a previous calculation of CO in equilibrium. When this
Conversion
Allows for direct specification of the conversion of CO. Conversion is defined as,
Mercaptans_Model
The main reaction of mercaptans (CHS) is,
CHS + H2 -> HYDROCARBON + H2S
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of mercaptans in the outlet.
ApproachToEq
Calculates the fractional approach to equilibrium of mercaptans defined as,
This option fixes the amount of CHS in the outlet based on a previous calculation of CHS in equilibrium. When
Conversion
Allows for direct specification of the conversion of CHS. Conversion is defined as,
NonReactive
This option forces the mercaptans to be non reactive.
SO2_Model
The main reaction of SO2 is,
SO2 + H2 -> H2S + O2
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of SO2 in the outlet.
ApproachToEq
Calculates the fractional approach to equilibrium of SO2 defined as,
This option fixes the amount of SO2 in the outlet based on a previous calculation of SO2 in equilibrium. When
Conversion
Allows for direct specification of the conversion of SO2. Conversion is defined as,
S_Model
The main reaction of Sulfur is,
S + H2 = H2S
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of Sx in the outlet.
ApproachToEq
Calculates the fractional approach to equilibrium of Sx defined as,
This option fixes the amount of S in the outlet based on a previous calculation of S in equilibrium. When this
Conversion
Allows for direct specification of the conversion of S. Conversion is defined as,
This specification can not go beyond equilibrium.
Catalyst Data
Catalyst Data
Catalyst Shape
Packing
Diameter
Aspect Ratio
Hollow ID
Thermal Cond
Heat Capacity
Bed Void Fraction

O'Neill, 2005).
Geometry
Volume
Length
Diameter
Pres Drop Tune

Heat Loss
Heat Loss Calc Type

U
Outside Temp Source

External T
Material
nected Stream/UnitOp displays the streams or units attached to the inlet and outlet of the Claus Hydrogenator.
Heat Loss (Tab)

Detailed Heat Loss

Layer Count
Heat Transfer Coeff

frame.
Inner HT Corr
Constant
ted.
FreeConv
Dittus
HTubeMix
(Holman, 1997).

Catalyst (Matsuura)
Inner HT
Inner HT Scale
Outer HT Corr
Constant
ted.
FreeConvAir
FreeConvWater
Outer HT
Outer HT Scale




Radiant HT Method
Grey Body
(Kern, 1950).
ISO Fire Heat



Layer Name
Density
glass.
Heat Capacity
to fiberglass.
Thermal Cond
merhaus, 1991).
Thickness
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Claus Mixer - Dynamics

Main Flow sheet
PFD Stencil
Examples Claus\Dynamics\Claus Mixer

Dynamic.vmp
Dynamic.vmp
General
The Claus Mixer unit operation can be used to adiabatically mix material ports while tracking and accounting for
the sulfur redistribution among the Sx species. The Claus Mixer should be used when mixing streams in a hot
gas bypass or whenever mixing streams that contain Sx.
The Claus Mixer can be configured to equalize the inlet and outlet pressures, set the outlet pressure to equal
the lowest inlet pressure or to not to calculate the outlet stream pressure. The default configuration of the Claus
Mixer is to have two inlet streams and an outlet stream.
By clicking the Schematic / Connection Node you can view a schematic diagram and connections of the Claus
Mixer.
Inlets
Shows the number of inlet material ports added to the Claus Mixer. This can also be used to change the num-
ber of inlet material ports by entering the desired number of inlet ports.
Advanced
The default values for theAdvanced should work for most applications
Volume
The default value should be satisfactory for most cases. The volume can be set to simulate the lag caused by
piping volume or other volumes in the system.
Dynamic Mode
This is an advanced feature that allows for special behavior.
Normal
This gives the normal behavior for the mixer: Material balance is preserved, and all feed and product pressures
are the same.
Decouple Pres
The product pressure is decoupled from the feed pressures. This creates an extra degree of freedom for each
feed. The corresponding best practice specification is to specify a pressure or flowrate for each feed.
Feed Clone
The first feed steam is connected to the product stream. All extra feed streams are cloned from the first feed
stream, and have the same flowrate. Note that this implies that material is created or destroyed, depending on
the flow direction.
Feed Clone Sum

All feed flows are forced to be the same – i.e. the product flow is split identically.
This feature can be used to model the case where parallel trains exist. One train is modeled in detail, and the
other trains contribute flow through the clone feature.
Feed Scale / Prod Scale

The material balance is modified as follows:
Feed Scale * Feed Flow = Prod Scale * Sum Of Product Flows

Note that material balance is not preserved unless Feed Scale = Prod Scale
Material
Shows all of the inlet ports and the outlet port included in the Claus Mixer configuration.

Add extra In_Material port to the Claus Mixer. The default number of Inlet material streams is two.

Delete an In_Material port from the Claus Mixer, at least one inlet stream must be present.
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Claus Oxidation Converter - Dynamics

Main Flowsheet
PFD Stencil
Examples Claus\Dynamics\Claus Oxidation
Converter Dynamic.vmp
Dynamic.vmp
General
The Claus Oxidation Converter operation models a selective oxidation converter in which H2S and O2 react to
form sulfur.
The main reaction is,
H2S + 1/2O2 -> 1/xSx + H2O
There is also an undesired side reaction,
H2S + 3/2O2 -> SO2 + H2O
A schematic diagram and the connections of the ClausOxidationConverter can be viewed by clicking the
Number of Segments
This defines the number of segments used for calculations performed by the Claus Oxidation Converter unit
operation. The default value is 2 segments.
Summary (Tab)
Main Data
OutQ
Delta P
H2S_AppToEq
Approach to equilibrium of H2S.
Selectivity
Fraction of the reacting H2S that is converted to sulfur (main reaction). The rest of the reacting H2S is con-
verted to SO2 (side reaction).
SConvEff
H2S_Conv
S_InCmps (Feed)
Sulfur contained in compounds in the feed that is not elemental sulfur. Reported as molar flow of S1 equivalent.
S_InCmps (Outlet)
Sulfur contained in compounds in the outlet that is not elemental sulfur. Reported as molar flow of S1 equi-
valent.
Kinetic Correction
The Kinetic Correction Frame allows the user to select correlations/models used by the Claus Oxidation Con-
verter in order to account for the kinetic effects in the furnace oxidation converter. By default this frame is
H2S_Oxidation_Model
Equilibrium
ApproachToEq
Catalyst Data
Catalyst Data
Catalyst Shape
Packing
Diameter
Aspect Ratio
Hollow ID
Thermal Cond
Heat Capacity
Bed Void Fraction

O'Neill, 2005).
Geometry
Volume
Length
Diameter
Pres Drop Tune

Heat Loss
Heat Loss Calc Type

U
Outside Temp Source

External T
Material
nected Stream/UnitOp displays the streams or units attached to the inlet and outlet of the Claus oxidation con-
verter.
Profile Tab
Allows selected properties to be viewed for each segment in the Claus Oxidation Converter.
Add/Remove
Plot Tab
X-Variable
Y-Variable
Plot Window
Plot Control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Heat Loss (Tab)

This tab contains all extra variables used to define detailed heat transfer in the reactor operation. This tab only
Detailed Heat Loss

Layer Count
Heat Transfer Coeff

frame.
Inner HT Corr
Constant
ted.
FreeConv
Dittus
HTubeMix
(Holman, 1997).

Catalyst (Matsuura)
Inner HT
Inner HT Scale
Outer HT Corr
Constant
ted.
FreeConvAir
FreeConvWater
Outer HT
Outer HT Scale




Radiant HT Method
Grey Body
(Kern, 1950).
ISO Fire Heat




Layer Name
Density
glass.
Heat Capacity
to fiberglass.
Thermal Cond
merhaus, 1991).
Thickness
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Claus Oxygen Calculator - Dynamics

Main Flowsheet
PFD Stencil
Examples Claus\Dynamics\Claus Oxygen

Calculator Dynamic.vmp
General
The Claus Oxygen Calculator calculates the amount of oxygen needed to perform a specific combustion of
hydrocarbons and H2S. There are different ways for specifying this unit operation. The only requirement is that
the AcidGas composition and mole flow should always be known.
One of the following variables must be known in order to solve all the signal ports: H2S_FractionToBurn, O2_
MoleFlow, O2_FractionExcess or composition and mole flow of the Air material stream. Note that the Air mater-
ial stream may or may not be specified in order to solve for the signal ports. If the composition of the Air stream
is known along with a signal port, then this unit operation can calculate the mole flow of air. If the air composition
and mole flow are known, then this unit operation will solve for all the signal ports.
A schematic diagram and the connections of the ClausOxygenCalculator can be viewed by clicking the Schem-
Summary (Tab)
Main Data
H2S_FractionToBurn
Calculates the amount of oxygen required to combust everything that is not H2S plus a specified fraction of
H2S. This is a convenient specification when estimating the air requirements in a Claus furnace.
O2_FractionExcess
Calculates the amount of oxygen required to meet the specified excess. It is important to note that by default the
units may be [Fraction] as opposed to [%].
O2_MoleFlow
Oxygen used in the calculations. It can be a specified value or a calculated value.
Material
AcidGasIn/Out
The fuel source that is to be combusted can be an acid gas feed, hydrocarbon feed or a combination of the two.
The flow rate and composition must be defined.
AirIn/Out
The oxygen source that is used to combust AcidGas to heat the process stream. A composition (including Oxy-
gen) must be defined for Air.
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.

Notes (Tab)
Claus Reaction Furnace - Dynamics

Main Flowsheet
PFD Stencil
Examples Claus\Dynamics\Claus Reaction Fur-
nace Dynamic.vmp
Dynamic.vmp
General
The Claus Reaction Furnace is based on a Gibbs free energy minimization reactor to find the chemical equi-
librium of the feed to the furnace. The Claus Furnace unit operation provides different means of adjusting the
calculations as it is known that many compounds will not reach equilibrium due to kinetic effects.
A schematic diagram and the connections of the Claus Reaction Furnace can be viewed by clicking the Schem-
Summary (Tab)
Main Data
Out Q
Delta P
Pressure drop across the unit operation, 0.5 psi by default. The pressure drop can be calculated by specifying a
k constant (see Configuration).
(H2S:SO2) Ratio
Molar flow ratio of H2S to SO2 at the outlet.
Residence Time
The residence time in the converter, 1.5 seconds by default. Relevance depends on the models selected in the
Kinetic Correction frame.
H2 QuenchT
Temperature at which H2 is assumed to stop reacting. Applicable to the Quench Temperature H2 model, this
value is used to account for the continued reacting of H2 when it exits the furnace and until it is quenched in the
boiler downstream.
CO QuenchT
Temperature at which CO is assumed to stop reacting. Applicable to the Quench Temperature CO model, this
value is used to account for the continued reacting of CO when it exits the furnace until it is quenched in the
boiler downstream.
S Conv Eff
H2S Conv
S In Cmps (Feed)
S In Cmps (Outlet)
Kinetic Correction
The Kinetic Correction Frame allows the user to select correlations/models that account for kinetic effects in the
Claus Reaction Furnace.
Where applicable, the default kinetic corrections are the SRE-VMG correlations. These correlations are based
on actual field test results from a large database of SRU performance evaluations. Feed type (gas plant or
refinery), O2 enrichment (low, medium or high), Configuration (for refinery, straight through or front-side split),
Burner Type (low efficiency or high efficiency), Natural Gas Co-fire (yes or no) must be specified for effective
use of these correlations.
CS2 Model
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of CS2.
Moles Produced / Mole Hydrocarbon Fed

Allows user to specify the moles of CS2 produced per mole of hydrocarbons in the feed. The hydrocarbons
taken into account are C1-C10. When this option is selected a signal port that must be specified will auto-
matically be created.

Calculates the amount of CS2 produced using a correlation developed by Western Research, based on plant
data.
Fraction of furnace inlet hydrocarbon that forms CS2, R(CS2).
R(CS2) = 2.6A0.971 exp(-0.965A)
Fischer Correlation
Uses the correlation published by Fischer to predict the CS2 content (see reference from Moore).
Luinstra & d'Haene

Uses correlation from Luinstra & d’Haene to estimate CS2 content. This correlation takes into account the res-
idence time in the furnace.
SRE-VMG
Calculates the amount of CS2 produced using a correlation developed by SRE from actual field test data. It
the furnace feed (*from all carbon bearing components other than CO and CO2).
Molar Flow
Fixes the CS2 molar flow in the outlet. Useful when using the excel unit operation to estimate CS2.
Molar Fraction
Fixes the CS2 molar fraction in the outlet. Useful when using the excel unit operation to estimate CS2.
Dry Molar Fraction

Fixes the CS2 molar fraction (dry basis) in the outlet. Useful when using the excel unit operation to estimate
CS2.
COS Model
Equilibrium

Allows user to specify the moles of COS produced per mole of H2S in the feed. When this option is selected a

Calculates the amount of COS produced using a correlation developed by Western Research, based on plant
data.
Fraction of furnace inlet carbon that forms COS, R(COS).
for A >= 0.0 and A <= 0.7,
R(COS) = 0.01 tan (100A(Pi/180) )
for A > 0.7 and A < 0.86,
R(COS) = (257.13429A2 - 350.75026A + 122.1154) / 100.0
for A >= 0.86,

R(COS) = 0.143
Fischer Correlation
Uses the correlation published by Fischer to predict the COS content (see reference from Moore).
SRE-VMG
Calculates the amount of COS produced using correlations developed by SRE from actual field test data. It
Molar Flow
Fixes the COS molar flow in the outlet. Useful when using the excel unit operation to estimate COS.
Molar Fraction
Fixes the COS molar fraction in the outlet. Useful when using the excel unit operation to estimate COS.
Dry Molar Fraction

Fixes the COS molar fraction (dry basis) in the outlet. Useful when using the excel unit operation to estimate
COS.
H2 Model
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of H2 in the outlet.
Quench Temperature
Defines a quench temperature for H2 which will take into account the H2 consumption occurring while the

Allows the user to specify the moles of H2 produced per mole of H2S in the feed. When this option is selected a

Calculates the amount of H2 produced using a correlation developed by Western Research, based on plant
data.
Fraction of furnace inlet H2S that cracks to H2 and S, R(H2)
R(H2) = 0.056
SRE-VMG
Calculates the amount of H2 produced using a correlation developed by SRE from actual field test data. It takes
into account the adiabatic temperature in the reaction furnace and the amount of H2S in the furnace feed. A
high or low efficiency burner must be specified with this model.
Molar Flow
Fixes the H2 molar flow in the outlet. Useful when using the excel unit operation to estimate H2.
CO Model
Equilibrium
Quench Temperature
Defines a quench temperature for CO which will take into account the CO consumption occurring while the
Moles Produced / Mole CO2 Fed

Allows the user to specify the moles of CO produced per mole of CO2 in the feed. When this option is selected a

Allows the user to specify the moles of CO produced per mole of H2S in the feed. When this option is selected a

data.
Fraction of furnace inlet carbon that forms CO, R(CO)
for A >= 0.0 and A <= 0.3,
R(CO) = R_CO = (2.9584 * A2 + 1.6658 * A - 0.0029984) / 100.0
for A > 0.3,

R(CO) = 0.002A0.0345exp(4.53A)
SRE-VMG
Calculates the amount of CO produced using a correlation developed by SRE from actual field test data. It
Molar Flow
Fixes the CO molar flow in the outlet. Useful when using the excel unit operation to estimate CO.
S2 Model
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of S2 in the outlet.

Allows the user to specify the moles of S2 produced per mole of H2S in the feed. When this option is selected a
H2S Approach To Eq.

This option fixes the amount of H2S in the outlet based on a previous calculation of H2S in equilibrium. The ori-
ginal calculation of H2S in equilibrium takes into account all of the selected options for the other compounds.
SRE-VMG
Calculates the amount of sulfur produced (predominately S2 in the reaction furnace) using correlations that
were developed by SRE from actual field test data. It takes into account SRU feed type, burner type, con-
figuration, natural gas co-firing, and oxygen enrichment, as specified in the Kinetic Correction frame, as well as
the amount of S1 equivalent moles in the furnace feed (*from all sulfur bearing components that are not ele-
mental sulfur).

data.
Fraction of furnace inlet non-elemental sulfur that forms elemental sulfur, R(S)
R(S) = 1.58 * A1.099 exp(-0.73A)
NH3 Model
Equilibrium
Uses the Gibbs minimization algorithm to calculate the amount of NH3 in the outlet.
ApproachToEq
Calculates the fractional approach to equilibrium of NH3 defined as:
This option fixes the amount of NH3 in the outlet based on a previous calculation of NH3 in equilibrium. The ori-
ginal calculation of NH3 in equilibrium takes into account all of the selected options for the other compounds.
Conversion
Conversion of NH3 as defined by the reaction,
2NH3 -> 3H2 + N2
Molar Flow
Fixed molar flow of NH3 in the outlet.
Note: The Western Research and Development correlations are presented in Monnery et al. (1993) and Moore
(1992). These empirical correlations were developed by Sames and Paskall (1990) and are based on plant
data of more than 300 tests on 100 different sulfur trains. The data was taken from acid gas feeds going from 8
to 98 mol percent of H2S, 0.1 to 5.0 mol percent of hydrocarbons and 14 to 1700 tones/day of sulfur production
(Monnery et al., 1993). The data sets for these correlations were taken at the outlet of the waste heat boiler
(Moore, 1992). Some of the final correlations used in VMGSim are not the original ones but were re-calculated
based on the plant data presented.
Feed Type
Feed type to the furnace, based on its industrial application (Gas Plant or Refinery). Relevant if the SRE-VMG
correction is selected for the S2 model.
O2 Enrichment
The degree of oxygen enrichment in the SRU. This value is relevant if the SRE-VMG correction is selected for
the S2 model. The oxygen enrichment level options are None, Low (21 to 23 percent O2), Medium (23 to 25 per-
cent O2) and High (25 to 40 percent O2). The reaction furnace residence time must be a minimum of 0.8
seconds for the results of Low/Medium/High O2 enrichment to apply.
Configuration
The type of SRU configuration. This value is relevant if the SRE-VMG correction is selected for the S2 model. If
the ‘Refinery’ feed type is chosen, the user must specify either a ‘Straight Through’ or ‘Front-side Split’ con-
figuration.
Burner Type
The type of burner installed in the furnace. This value is relevant if the SRE-VMG correction is selected for the
S2 or H2 models.
The ‘High Efficiency’ burners have been available in the industry for approximately 20 years and are the default
for new SRU designs. The high efficiency burners provide excellent mixing characteristics and a short flame
length resulting in optimum ‘effective’ residence times.
The ‘Low Efficiency’ burners can be found in older SRUs and have either a very simple design or even an ‘open
pipe’ design. These burners had relatively poor mixing characteristics and a long flame length resulting in poor
‘effective’ residence times.
Burners in oxygen-enriched configurations are treated as ‘High Efficiency’.
Nat Gas Co-fire

Use for refineries with natural gas co-firing via ‘spiking’ (using the fuel system in place or adding fuel gas directly
into the acid gas line); or gas plant furnaces with a specially designed main burner that allows for continuous co-
firing of natural gas. This value is relevant if the SRE-VMG correction is selected for the S2 model. The results
of this setting are only applicable if the reaction furnace residence time is still a minimum of 0.8 seconds with the
fuel gas (and associated combustion air) added.
Configuration
k
Volume
Length
Diameter
Calc. Res. Time

Check this item if you want the simulator to calculate the residence time from the volume and the outlet volu-
metric flowrate.
Heat Loss
Heat Loss Calc Type

Heat Loss
The heat loss to surroundings.
U
Outside Temp Source

External T
Material
This frame shows the conditions, composition and properties of the material at the inlet and outlet of the Claus
Reaction Furnace. The Connected Stream/UnitOp displays the streams or units attached to the inlet and outlet
of the Claus Reaction Furnace.
Heat Loss (Tab)

Detailed Heat Loss

Layer Count
Heat Transfer Coeff

frame.
Inner HT Corr
Constant
ted.
FreeConv
Dittus
HTubeMix
(Holman, 1997).

Catalyst (Matsuura)
Inner HT
Inner HT Scale
Outer HT Corr
Constant
ted.
FreeConvAir
FreeConvWater
Outer HT
Outer HT Scale




Radiant HT Method
Grey Body
(Kern, 1950).
ISO Fire Heat



Layer Name
Density
glass.
Heat Capacity
to fiberglass.
Thermal Cond
merhaus, 1991).
Thickness
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Bibliography
Monnery, W., Svrcek, W. and Behie, L.; “Modeling the Modified Claus Process Reaction Furnace and the
Implications on Plant Design and Recovery”; The Canadian Journal of Chemical Engineering, v71; p711-723;
October, 1993
Moore, B. “Simulation of Claus Sulfur plants”; M. Eng. Thesis from the University of Calgary, Canada, October,
1992
Claus Reducing Gas Generator - Dynamics

Main Flowsheet
PFD Stencil
Examples Claus\Dynamics\Claus Reducing Gas
Generator Dynamic.vmp
General
The Claus Reducing Gas Generator heats a process stream by mixing it with the combustion product of a Fuel
Gas and an Air supply. The Claus Reducing Gas Generator will calculate the flow rates of both the Fuel Gas
and Air fed to the reducing gas generator based on a specified outlet temperature.
A schematic diagram and the connections of the Claus Reducing Gas Generator can be viewed by clicking the
Summary (Tab)
Main Data
In dynamics, the fuel flow is always externally specified. One out of Out Q, Out T or delta T must be specified,
and the unit op will calculate the others. Air flow can either be specified directly, or can be calculated from either
a O2 Fraction excess or O2 Outlet Fraction specification.
Out Q
Delta P
Out T
Delta T
O2 Fraction Excess
O2 Outlet Fraction
Burner T
Configuration
k
Volume
The tube side volume of the cooler.
Length
The tube length for the cooler.
Diameter
The effective diameter for the tube side of the cooler.
Material
Fuel
the two can be used as a fuel source. At the very least a temperature, pressure and composition must be
defined for Fuel.
Air
The oxygen source that is used to combust fuel gas to heat the process stream. At a minimum, a temperature,
pressure and composition (including Oxygen) must be defined for Air.
Process
The process fluid to be heated by the reducing gas generator. If "Reactive Process" is checked in the Settings
Out
The heated process stream mixed with combustion product of the fuel and air streams.
This tab is used to define the components that are non-reactive in the combustion process. Note that non-react-
ive components will be ignored in the calculations for O2 Fraction Excess.
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
pressure recovered or lost. This may differ from reversible conversion because of entry/exit losses. Only
calculated/reported if enabled on flowsheet form (Settings | Do Kinetic Head Calcs), and the nozzle diameter is
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Claus Sulfur Detail - Dynamics

Main Flowsheet
PFD Stencil
Examples
General
The Claus Sulfur Detail unit operation provides a convenient summary of important variable related to the sulfur
recovery.
A schematic diagram and the connections of the Claus Sulfur Detail can be viewed by clicking the Schematic /
Connection node.
Note that a Claus Sulfur Detail can be added to any material stream that is using the Claus Property Package,
by navigating to the Sulfur Detail Tab and then checking Activate Sulfur Detail.
Summary (Tab)
Main Data
(H2S:SO2) Ratio
Mole flow ratio of H2S to SO2.
Dew Point
Dew Point temperature of the mixture.
Calculate Excess Air

Enables excess air calculations.
Reference AG Stream
Reference acid gas stream used for excess air calculations.
Excess Air
Excess air calculated from the equation,
(2.0 * fracs[SO2_idx] - fracs[H2S_idx]) * mf / (xAG[H2S_idx] * mfAG)
where,
fracs = composition at the In port
mf = mole flow at the In port
xAG = composition of the acid gas reference stream
mfAG = mole flow of the acid gas reference stream
S1 Equiv MoleFlow
S1 equivalent mole flow of elemental sulfur.
Sx MoleFlow
Elemental sulfur mole flow calculated by averaging all the sulfur species.
x (Sulfur Species Number)
Average number for Sx
S MassFlow
Mass flow of elemental sulfur.
Total S
Total mole flow of sulfur, including elemental sulfur and the sulfur contained in compounds.
S In Cmps
Mole flow of sulfur contained in compounds (i.e. does not include elemental sulfur).
H2S MoleFlow
Mole flow of H2S
HC MoleFlow
Mole flow of hydrocarbons
Mercaptan Mole Flow

Mole flow of mercaptans
Total C
Total mole flow of carbon, including elemental carbon contained in compounds.
Material
nected Stream/UnitOp displays the streams or units attached to the inlet and outlet of the Claus Sulfur Detail.
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.

Notes (Tab)
Claus SulfurPit - Dynamics

Main Flowsheet
PFD Stencil
Examples Claus\Dynamics\Claus Sulfur Pit
Dynamic.vmp
Dynamic.vmp
General
The Claus SulfurPit operation is designed to provide a convenient means of calculating the stage recoveries
and cumulative recoveries of the sulfur recovery plant. The Claus SulfurPit also has the ability to adjust ele-
mental sulfur and H2S in the Vapor and combine liquid outlets, respectively.
A schematic diagram and the connections of the ClausSulfurPit can be viewed by clicking the Schematic / Con-
nection node.
Inlets
This defines the number sulfur inlets to the Sulfur Pit. The default value is 4.
Summary (Tab)
Main Data
Volume
The volume of the pit.
Diameter
The diameter of the pit.
Height
The height of the pit.
Inclination
The angle of inclination of pit – 0° - 90° : Inlet is higher, 90° - 180° : Outlet is higher (¹See below for more
details).
Percent Level Liq

The level % of liquid sulfur in the pit.
OutQ
Delta P
Reference AG Stream
Reference acid gas stream used to calculate recovery information.
Heat Loss Calc Type

The type of heat loss calculations required. Select from [None, Simple, Detailed]. If Simple or Detailed is selec-
Recoveries
These variables calculate the elemental sulfur recoveries per stage as well as cumulative. The names of these
variables are defined by the values in the “Stage Names” frame.
Assuming that,
In0 Stage Name = Thermal Stage
In1 Stage Name = Stage1
Recovery_ThermalStage
(S_Elemental_In0 – S_Elemental_RefAgStream) / S_InCompounds_RefAgStream.
CumRecovery_Stage1
((S_Elemental_In0 + S_Elemental_In1) – S_Elemental_RefAgStream) / S_InCompounds_RefAgStream.
Entrainment
entrainment in order to move away from equilibrium separation between the vapor and liquid phases.
S1 Equiv Vap
S1 Equiv Liq
S1 Liq Entrainment
Sulfur liquid entrainment in the vapour phase in [mass/mol]. Setting this to a value greater than zero enables
entrainment.
H2S Liq Content

H2S Eq Corr Factor

Correction to equilibrium in the separation of H2S. This adjust the K-value for H2S, and for all practical pur-
poses is equivalent to
H2S Vap
H2S Liq
Stage Names
These variables are used to associate a feed material port to a stage name. The values are used to generate
the names of the recovery variables. For example, if In0 Stage Name is changed from “ThermalStage” to
“MainStage”, then the variable called “Recovery_ThermalStage” will be renamed to “Recovery_MainStage”.
InX Stage Name

Stage name associated with the feed material port called InX. Note that no spaces are allowed in the name.
The default naming convention is shown in the previous figure.
¹More details for Pits Inclination
Heat Loss (Tab)

Heat Loss Calc Type
Simple Heat Loss

Duty
Calculated duty.
UA
U
Area
Process T
Outside Data
Ambient Temperature
Outside T
Outside T
Detailed Heat Loss

Duty
Calculated duty
Process T
Layer Count
Outside Temp Source
Ambient Temperature
Outside T
Heat Transfer Coeff

Inner HTC Corr.

Inner HTC
Inner HTC Scale

Outer HTC Corr.

Outer HTC
Outer HTC Scale





Radiant HT Method
Grey Body
(Kern, 1950).
ISO Fire Heat



Layer Name
Density
Heat Capacity
Thickness
Walls Detailed
Area
geometry.
Duty
Temperature
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Claus Waste Heat Boiler - Dynamics

Main Flowsheet
PFD Stencil
Examples Claus\Dynamics\Claus Waste
Heat Boiler Dynamic.vmp
Dynamic.vmp
General
The Claus Waste Heat Boiler operation models a waste heat boiler using two modes of operation. The first
keeps track of only sulfur redistribution as the material passing through the waste heat boiler cools. The second
mode of operation takes both the sulfur redistribution and kinetic models into account in the quenching of H2
and CO through the Claus Waste Heat Boiler.
A schematic diagram and the connections of the ClausWasteHeatBoiler can be viewed by clicking the Schem-
Number of Segments
This defines the number of segments used for calculations performed by the ClausWasteHeatBoiler unit oper-
ation. The default value is 1 segment.
Summary (Tab)
Main Data
OutQ
Delta P
OutT
The Outlet temperature of the Claus Waste Heat Boiler.
Delta T
The temperature drop over the Claus Waste Heat Boiler.
Reaction Model
Allows the reactor model within the Claus Waste heat Boiler to be selected. Non Reactive is selected by
default.
Non Reactive
The Claus Waster Heat Boiler acts as a Claus Cooler and assumes that only sulfur redistribution reactions
occur. All reactions dealing with deviation from equilibrium in the reaction furnace are assumed to be accounted
for in the furnace upstream.
Kinetic
Not Currently Supported in Dynamics
Uses kinetic models to take into account the quenching of H2 and CO through the Claus Waste Heat Boiler.
When this option is selected the kinetic correction model for H2 and CO the Claus reaction furnace should be
set to equilibrium.
Note the Kinetic option is based on the following references :

Reaction 0: CO + 1/2S2 <-> COS
Reference: K. Karan, A. Mehrotra, L. Behie, Use of New reaction kinetics for COS formation to achieve
reduced sulfur emissions from Claus plants, Can. Journal of Chemical Eng, Vol 77, april 1999.
Reaction 1: H2 + 1/2S2 <-> H2S

Reference: L. Nasato, K. Karan, A. Mehrotra, L. Behie, Modeling reaction quench times in the waste heat boiler
of a Claus plant, Ind. Eng. Chem. Res., 1994, 33, 7-13
Configuration
Volume
The tube side volume of the cooler
k
Length
The tube length for the cooler
Diameter
The effective diameter for the tube side of the cooler
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Component Splitter
Component Splitters
Main Flow sheet
PFD Stencil
Examples Separators\Componentsplitter.vmp
General
Component Splitters are used to create short cut models of separation operations. They can be implemented
when a simplistic approach is sufficient for the particular problem (e.g. a water removal step, or H2S removal
step), the separation unit operation is not available in VMGSim, or when a good thermodynamic model is not
available for the system.
By clicking the Schematic / Connection node you can view a schematic diagram and connections of the Com-
ponent Splitter.
Create Port
Add extra In_Material or In_Energy ports to the Component Splitter.
Delete Port
Delete an added In_Material or In_Energy port from the Component Splitter.
Summary(Tab)
By default, the Component Splitter has one In_Material port, two Out_Material ports and one Energy port.
Energy Ports
Shows all of the In_Energy ports included in the Component Splitter configuration.
InQ0
The energy stream in port 0 of the Component Splitter.
Advanced
Shows the following options,
Inlets
Number of In_Material ports.
Energy Inlets
Number of In_Energy ports.
Default Split
Default split fraction for any new compounds added to the property package
Calc P Mode
Sets the pressure calculation mode. The following options are available:
Don't Calculate
Pressure must be specified in all ports
Lowest P In Outlet
Pressure must be specified in all inlet ports. Pressure in all outlet ports will be equal to the lowest inlet port pres-
sure.
All P Equal
Pressure must be specified in one port. All ports will have an equal pressure.
P Equal Ovhd
Pressure must be specified in the bottom port (Out1) and one more port. All inlet ports will have pressure equal
to the overhead port (Out0) pressure.
P Equal Btm
Pressure must be specified in the overhead port (Out0) and one more port. All inlet ports will have pressure
equal to the bottom port (Out1) pressure.
Fixed Delta P
Pressure must be specified in all inlet ports. Pressure will be calculated from the specified Delta P, as:
Out P = (Lowest Inlet P) - (Delta P)
Pressure may be specified in an outlet port instead if there is only one inlet port.
Delta P
The pressure drop across the component splitter (with respect to the lowest inlet pressure). This value will only
be visible when Calc P Mode is set to "Fixed Delta P".
Calc T Mode
Sets the temperature calculation mode. The following options are available:
From Balance
Temperatures will be calculated from energy balance.
All T Equal
Temperature must be specified in one port. All ports will have an equal temperature.
Product Data
Overhead T
Same as the temperature of material port Out0.
Bottom T
Same as the temperature of material port Out1.
Overhead VapFrac
Same as the vapor fraction of material port Out0.
Bottom VapFrac
Same as the vapor fraction of material port Out1.
Material
Shows the connected objects and the material ports information
Splits (Tab)
The Overhead split fraction sets the amount of a component that will pass through the overhead outlet stream.
For instance, if the Overhead split fraction of component X is set to 0, all of component X will leave through the
bottom stream. Likewise, if the Overhead split fraction of component X is set to 1 all of component X will leave
through the overhead stream.
When entering the Overhead fraction, the Splits input window will appear. The Set All to button can be used
populate all of the Overhead fraction splits to the same value.
Split Components by Group

Selecting the check box 'Split Components By Group' enables a group or series of groups to be defined that
have common component split values. The form,as set out below,will assign split values of 1 to all components
with normal boiling points between 200C and 900C. Groups can be defined on the basis of molecular weight or
normal boiling point.
Reference Property
Select whether the group is to be based on normal boiling point or molecular weight.
Number of Groups new

Specify the number of groups.
Applies to Family
A group may contain all components or a particular family of components. The available categories are: All; Oil;
Saturates; Volatiles; Aromatics; Resins; Asphaltenes; Parafins; Isoparafins; Olefins; Napthenes.
Min
Specify the lower threshhold that defines the group. The basis will depend on the Reference Property.
Max
Specify the upper threshhold that defines the group. The basis will depend on the Reference Property.
Split Values
Specify the component split values for the group.
Component Splitter Example

The ComponentSplitter will be used to create a simplified model of an Amine Sweetening Plant to remove CO2
and H2S from a sour natural gas stream.
Create a new VMGSim project using the Advanced_Peng-Robinson property package with the following com-
ponents: N2, CO2, H2S, C1, C2, C3, nC4, iC4, nC5, iC5 and C6. Change the active unit set to Field and create
a ComponentSplitter.
Specify the In port as shown below.
Note that a component splitter can have as many In ports as are needed.
Component Splitter Dynamics

Component Splitters - Dynamics
Main Flow sheet
PFD Stencil
Examples
General
Component Splitters are used to create short cut models of separation operations. They can be implemented
when a simplistic approach is sufficient for the particular problem (e.g. a water removal step, or H2S removal
step), the separation unit operation is not available in VMGSim, or when a good thermodynamic model is not
available for the system.
By clicking the Schematic / Connection node you can view a schematic diagram and connections of the Com-
ponent Splitter.
Create Port
Add extra In_Material or In_Energy ports to the Component Splitter.
Delete Port
Delete an added In_Material or In_Energy port from the Component Splitter.
Summary(Tab)
By default, the Component Splitter has one In_Material port, two Out_Material ports and one Energy port.
Energy Ports
Shows all of the In_Energy ports included in the Component Splitter configuration.
InQ0
The energy stream in port 0 of the Component Splitter.
Advanced
Inlets
Number of In_Material ports.
Energy Inlets
Number of In_Energy ports.
Default Split
Default split fraction for any new compounds added to the property package
Calc P Mode
Sets the pressure calculation mode:
l DontCalculate: All pressures are calculated externally
l LowestPInOutlet: This option is not available in dynamics and will be treated as DontCalculate
l AllPEqual: All inlet and outlet pressures will be constrained to be the same.
l PEqualOvhd: All inlet pressures will be constrained to be the same as the Overhead Pressure. The Bot-
toms Pressure is specified externally.
l PEqualBtm: All inlet pressures will be constrained to be the same as the Bottoms Pressure. The Over-
head Pressure is specified externally.
The recommended mode for dynamics is either PEqualOvhd or PEqualBtm.
Calc T Mode
Sets the temperature calculation mode:
l FromBalance: The temperature at each end is calculated from user specifications and an energy balance
l AllTEqual: The Overhead and Bottoms Temperature are the same (All heat inputs must be known)
Product Data
Overhead T
In dynamics this is the way to specify the Overhead Temperature. (Specifying the temperature in the product
steam will be ignored)
Bottom T
In dynamics, this is the way to specify the Bottoms Temperature. (Specifying the temperature in the product
stream will be ignored)
Overhead VapFrac
In dynamics this is the way to specify the Overhead Vapor Fraction. (Specifying the vapor fraction in the product
Bottom VapFrac
In dynamics this is the way to specify the Bottom Vapor Fraction. (Specifying the vapor fraction in the product
Material
Shows the connected objects and the material ports information
Splits (Tab)
The Overhead split fraction sets the amount of a component that will pass through the overhead outlet stream.
For instance, if the Overhead split fraction of component X is set to 0, all of component X will leave through the
bottom stream. Likewise, if the Overhead split fraction of component X is set to 1 all of component X will leave
through the overhead stream.
When entering the Overhead fraction, the Splits input window will appear. The Set All to button can be used
populate all of the Overhead fraction splits to the same value.

Notes (Tab)
Compressor
Compressor
Main Flow sheet
PFD Stencil
Examples Rotating Equipment\CompressorCurve.vmp

Rotating Equipment\CompressorTrain.vmp
Rotating Equip-
ment\ReciprocatingCompressor.vmp
General
The compressor unit operation models real compressor behavior by allowing the user to set either a fixed adia-
batic or polytropic efficiency or incorporate a set of user defined performance curves.
The reciprocating model rates the performance of a real compressor based on the geometry of the compressor
and a combination of energy, pressure, and/or efficiency data.
Click the Schematic / Connection node to view a schematic diagram and connections of the compressor.
Summary (Tab)
Design
Machine Type
Select Generic or Reciprocating model.
The reciprocating model has a Rating option, which simulates performance based on reciprocating compressor
geometry.
This selection will determine the data that is shown in the form's Summary tab.
Main Data
The Main Data frame will contain the following information that is either specified or calculated.
InQ
The energy required by the compressor
DeltaP
The pressure rise over the compressor.
Pressure Ratio
The pressure ratio outlet/inlet for the stage.
Adiabatic Efficiency
The adiabatic efficiency of the compressor. The ratio of the isentropic work required to pump the fluid to the
actual work done on the fluid.
Polytropic Efficiency
The polytropic efficiency of the compressor. Available when the Generic model is selected.
Volumetric Efficiency
The volumetric efficiency of the compressor. The ratio of the actual volume flow of the fluid to the theoretical
volume flow based on the piston displacement rate. Available when the Reciprocating model is selected and
Rating is enabled.
Speed
The rotational speed of the compressor. The relationship betwen speed and flow can only be solved if Curves
are added in the Generic model, or if Rating is enabled in the Reciprocating model.
Adiabatic Head
The adiabatic head. The ideal (isentropic) pumping work per unit mass of fluid. Normally expressed as (ft-lbf)/lb
(ft) or (m-kgf)/kg (m). Available when the Generic model is selected.
Polytropic Head
The polytropic head. Available when the Generic model is selected.
Advanced
The Advanced frame is available when the Generic model is selected. It can be opened by clicking on the node
and contains the following additional information.
Adiabatic Exponent
The adiabatic exponent value.
Polytropic Exponent
The polytropic exponent value.
Polytropic Head Factor

The polytropic head factor value.
Reciprocating Data
The Reciprocating Data frame is available when the Reciprocating model is selected and Rating is enabled.
Compressor geometry must be fully specified.
Cylinder Bore
The inside diameter of the cylinder.
Cylinder Stroke
The distance that the piston moves during a compression stroke.
Displacement
The volume of gas that would move through the machine at zero pressure rise and design speed = (Cylinder
Area * Cylinder Stroke * cycles/time)
Specify two out of (Cylinder Bore, Cylinder Stroke, Displacement)
Cylinder Clearance
The volume at the piston compression position expressed as a percent of the total cylinder volume.
Design Speed
The design rotational speed of the stage.
Unloader Clearance
The volume of the unloader chamber(s) expressed as a percent of the total cylinder volume.
Stroke Efficiency
The thermodynamic efficiency of the compression stroke. The overall efficiency is lower because of cylinder
clearance and unloader clearance. The calculated overall efficiency is reported in the main data section.
Material
nected Stream/UnitOp displays the streams or units attached to the inlet and outlet of the compressor.
Curves (Tab)
Compressor curves characterize the compressor performance (head vs. flow and efficiency vs. flow) at dif-
ferent speeds.
User defined compressor performance curves are managed here, as shown below. This tab is only available
when the Generic compressor Machine Type is selected.
Settings
Specify general properties of the performance curves to use in the model.
Flow Basis
Sets the flow basis (Volume or Mass) for the curve tables.
Calc Type
Pull down menu to specify whether the efficiencies entered in the performance curves are adiabatic or poly-
tropic.
Use Flow Curves

Checkbox that enables the use of performance curves. The radio button below this checkbox is used to select
the type of performance curve. This radio button is only active if the checkbox is selected.
More than one kind of curve can be entered, but only one kind can be active at any time.
Use Efficiency Curves

Checkbox that enables the use of efficiency performance curves.
Curves
Manage performance curve data. A performance curve is a table with flow and performance values at a set
speed.
The left frame lists the curves entered by the user and allows the user to add/remove a curve. Add a curve, then
click on the new row in the grid to select the curve. The curve speed value and table can then be modified.
The right frame displays the flow-performance table for the curve selected on the left frame. Performance
columns shown are based on the performance curve(s) selected in the Settings frame above.
Add
Adds a new performance curve (new flow-performance table with a speed tag).
Delete
Removes the selected performance curve and all its data.
Speed
The compressor's rotational speed during the collection of performance data.
Edit
Used to add new and edit existing performance curve data. Ensure that the desired curve is selected before
modifying the data.
Plot (Tab)
Performance curves for a given speed can be viewed by clicking the Plot tab, as shown in the figure below.
Plot Window
The user can zoom into a plot by clicking the plot window and holding the left mouse button while dragging the
mouse to form a zoom window for the desired section. Press the Esc key to unzoom. The size of the plot win-
dow can be increased by right clicking on it. This will make the plot window occupy the entire plot tab and cause
the plot controls to disappear, to make the plot control reappear right click on the plot window.
Plot Control
Check Boxes
Allow user to toggle several basic plot window configuration items. For example, switching between a Black &
White or Color plot or switching the y axis between a linear or logarithmic scale.
Advanced…
Allows for additional configurations in the plot window, clicking the Advanced button will bring up the following
form:
Save As JPG…
Saves the plot as JPEG image file to a user specified directory.
Copy
Print…
Prints the plot to a user specified printer.
Settings (Tab)
Settings for the compressor can be specified within this tab.
Ignore Warnings
Set to ignore the compressor's warning messages. Any warning message text will still be displayed in the status
bar, but the unit operation will not be highlighted as having a warning.
Calculating Polytropic Efficiency:
This efficiency is defined as
(1)
Where,
(2)
(3)
(4)
(5)
η = Polytropic efficiency
hs, h1, h0 = Isenthalpic, outlet and inlet enthalpies respectively
P1, P0 = Outlet and inlet pressures respectively
V1, V0 = Outlet and inlet specific volume respectively
These equations were extracted from,
Schultz, J; “The Polytropic Analysis of Centrifugal Compressors”, Journal of Engineering for Power, January,
1962.
These equations are not linear so a numerical convergence algorithm is used to solve a compressor or
expander when a polytropic efficiency is specified. For example,
Specifications
1. Inlet (T0, P0, composition),
2. Polytropic efficiency (ηp),
3. Outlet pressure (P1).
Solve for
1. Power of the compressor.
2. Outlet properties, excluding pressure (P1)
3. Adiabatic efficiency
Solution Algorithm
1. Flash calculation to obtain all the inlet properties.
2. Use inlet entropy (S0) and outlet pressure (P1) to do a Pressure-Entropy flash and obtain all the isen-
tropic properties.
3. Estimate an adiabatic efficiency ηad.
4. Calculate enthalpy in the outlet (h1) using h1 = (hs – h0) / ηad + h0
5. Do a PH flash with P1 and h1 to obtain some physical properties.
6. Calculate a polytropic efficiency (ηpTEST) using equation (1). If ηpTEST <> ηp then estimate a new ηad
and go to Step 4.
7. Calculate the power and the rest of the properties based on the converged h1 and ηad. (i.e. Complete a
PH flash with converged h1 and P1 to get T1 (this would alternatively be done by hand with PH charts).
Compressor Example
In this example a turbo compressor used in high performance race cars will be modeled (the performance
curves for the turbo compressor are available from Turbonetics (www.turbonetics.com) and are reproduced
below). The purpose of the example is to find the rotational speed required in order for the compressor to
provide 42 lb/min of air with a boost pressure of 20 psi. It is assumed that the intake air is at ambient conditions
of 14.7 psia and 70 °F.
Create a new VMGSim case and select the Advanced_Peng-Robinson property package with AIR as the only
component, and set the units to Field. Since all the calculations in this case will be performed at ambient or near
ambient conditions, air can be conveniently modeled using the AIR pure component. Note, this would NOT be
the case if modeling a cryogenic process or if accurate solubilities of air in water were required. In these situ-
ations, air should be modeled as a mixture of gases.
Create a Compressor unit operation.

Under the Curves Tab, enable the Use Flow Curves checkbox and then select Pressure Ratio under that.
Enable the Use Efficiency Curves check box.
The performance curves at different speeds of the turbo compressor are shown below.
69500 RPM 84200 RPM

Flow [ft3/s] Adiabatic Effi- Pressure Flow Adiabatic Effi- Pressure
ciency Ratio [ft3/s] ciency Ratio
3.8 0.7 1.465 5.3 0.7 1.75

4.2 0.72 1.465 5.8 0.72 1.755
4.9 0.74 1.465 10.0 0.74 1.765
5.9 0.74 1.46 7.7 0.74 1.75
6.1 0.72 1.45 8.2 0.72 1.72
6.6 0.7 1.425 8.6 0.7 1.68
7.1 0.65 1.385 9.3 0.65 1.63
7.3 0.6 1.35 9.8 0.6 1.58
96600 RPM 105500 RPM
Flow [ft3/s] Adiabatic Effi- Pressure Flow Adiabatic Pressure
ciency Ratio [ft3/s] Ratio
Efficiency
10.0 0.7 2.04 7.9 0.7 2.295
7.2 0.72 2.06 8.6 0.72 2.3
8.2 0.74 2.05 10.7 0.72 2.22
8.9 0.74 2.04 11.1 0.7 2.185
9.8 0.72 1.995 11.6 0.65 2.085
10.2 0.7 1.95 11.8 0.6 2
10.7 0.65 1.885
10.9 0.6 1.81
114100 RPM
Flow [ft3/s] Adiabatic Effi- Pressure
ciency Ratio
9.3 0.7 2.58
11.4 0.7 2.47
Add a new curve by clicking the Add button in the Curves section. Click on the new row under Speed and enter
69500 for the 69500 RPM performance curve. Click the Edit button, enter the Flow, Efficiency and Head data in
the form that appears and click OK. Note the efficiency is expressed as percentage.
Enter the remaining performance curve data.
Create a Stream, specified as shown below.
Connect the stream to the compressor's inlet.
At this point, a speed can be entered and the compressor will solve. For example, for a speed of 75000 RPM
the following results are obtained.
It can be seen that the pressure rise over the compressor is less than the desired 20 psi. There are several
options available to find the required compressor speed to provide 20 psi of boost to the inlet air: the speed
could be manipulated manually, a case study using speed as the independent variable and the pressure rise as
the dependent variable could be completed or, as is most convenient for this case, a Controller unit operation
can be installed and configured to manipulate the Compressor speed until the desired pressure rise is
achieved.
Add a Controller to the simulation, and configure it as shown below
Please note that the Manipulated Variable is CP1.CompressorSpeed.
Now enter a Target value of 20 psi. Please note that if the controller was added before the Compressor Speed
was entered, an initial estimate would need to be added for the controller/compressor to solve.
The controller found the required speed to be 107980 RPM. The adiabatic efficiency and outlet temperature at
these conditions are given in the compressor form.
Reciprocating Compressor Example

In this example will use the Reciprocating Compressor unit operation to compress an air stream.
Start a new VMGSim case and select the Advanced Peng-Robinson property package with Air as the only com-
ponent. Switch the unit set to Field. Create two material streams Air In and Air Out and define Air In as defined
below.
Create a Reciprocating Compressor unit operation. Connect Air In to the In Material port and Air Out to the Out
Material Port. Enter a cylinder bore of 10cm, stroke of 25cm, and design speed of 1700rpm. Cylinder clearance
should be set to 15% and unloader clearance to 0%.Set the stroke efficiency to 95%, as shown below.
Specify a pressure of 34 psia in the Air Out stream to provide enough information for the compressor to solve. It
will then appear as below.
Compressor Dynamics
Compressor - Dynamics
Main Flow sheet
PFD Stencil
General
Compressors require three specification to determine performance. These are typically speed/power/torque,
polytropic head and efficiency. The recommended combination is "Use Simple Curve" (which counts as two
specs) and either Speed or Torque In (specify on Shaft tab).
Click the Schematic / Connection node to view a schematic diagram and connections of the compressor.
Summary (Tab) – Centrifugal / Axial

Design
Machine Type
Select Centrifugal or Axial.
Use Simple Curve

Enables the simple curve calculations. See the curves section below for more details.
Main Data
By default the Main Data frame will contain the following information that is either specified or calculated.
Switch
Switch the compressor on or off. This should be used only if there is no driver (i.e. motor or turbine) connected
to the compressor . You should also specify one of [InQ, Speed, Torque In].
InQ
The total power transfer to the stage. It includes power transferred to the fluid, inertial energy changes, and fric-
tion losses. For a detailed balance, see the Shaft tab.
Delta P
The pressure rise across the machine/stage.
Pressure Ratio
The ratio of the isentropic work required to compress the gas to the actual work done on the gas.
The average ratio of compression work to total work along the polytropic compression path.
Speed
The rotational speed of the stage.
Adiabatic Head
The ideal (isentropic) compression work per unit mass of gas. Normally expressed as (ft-lbf)/lb (ft) or (m-kgf)/kg
(m).
Polytropic Head
The total compression work performed along the polytropic compression path. Normally expressed as (ft-lbf)/lb
(ft) or (m-kgf)/kg (m).
Use Ref. Phase Dens

Select which density to use for calculating delta P from head. A compressor normally operates only with vapor
flow. If a simulation model is not correctly initialized, the compressor may temporarily experience multiphase
flow, which will cause significant pressure oscillation. Selecting “Vapor” (the default), will prevent this problem,
but will underestimate the delta P if liquid is present in the fluid. Selecting “All” will give the correct conversion
even when there is liquid present in the compressor suction.
Advanced
The Advanced frame can be opened by clicking on the node and contains the following additional information.
Adiabatic Exponent
For purposes of compressor modeling, a polytrope is defined by a path along which PV^n is constant. The isen-
tropic(adiabatic) exponent is the value of n for an isentropic (reversible) compression path.
Polytropic Exponent
For purposes of compressor modeling, a polytrope is defined by a path along which PV^n is constant. The poly-
tropic exponent is the value of n for the actual (polytropic) compression path.

A correction factor to compensate for the variation in polytropic efficiency along the compression path.
Max Temp Out

The maximum allowable outlet temperature. When the efficiency goes to zero, the calculated temperature can
go very high causing the simulator to fail. This item sets an upper bound on the calculated temperature.
Curve Correction
Select from:
l None
l T/MW - Correct based on inlet T and MW
l Sonic Vel - Correct based on inlet sonic velocity
Correction based on T/MW requires design values for these properties, and correction based on sonic velocity
requires the design sonic velocity. All corrections also require the design inlet pressure.
Design MW
The design inlet MW for the machine - needed if T/MW curve corrections are active.
Design T Inlet
The design inlet temperature for the machine - needed if T/MW curve corrections are active.
Design Sonic Vel

The design inlet sonic velocity for the machine - needed if Sonic Vel curve corrections are active.
Design P Inlet
The design inlet pressure for the machine - needed if curve corrections are active.
Design Point (Simple Curve)
Sometimes, detailed head curve information may not be available for a machine. However, to produce reas-
onable dynamic behavior, one cannot specify flow or pressure rise – one needs some form of head curve. The
simple curves specification allows a head curve to be created by specifying a single (design) operating point,
and fitting universal curves based on the machine type.
To use simple curves, Design Speed and Design Flow must be specified. Two out of {Design Head, Design Effi-
ciency, Design Torque} must be specified. Design Power is equivalent to Design Torque and may be specified
instead.
Calculation Type
The calculation type (Polytropic or Adiabatic) to which the Design Head and Design Efficiency values apply.
Design Speed
The normal operating speed of the machine.
Design Head
The head at the normal operating point.
Design Flow
The flow at the normal operating point.
Design Efficiency
The efficiency at the normal operating point.
Design Power
The power at the design point.
Design Torque
The torque at the design point.
Design Surge Flow

The surge flow at design speed. This is required if you wish to use a surge controller with the compressor.
Design Choke Flow

The choke flow at design speed.
Material Summary
nected Stream/UnitOp displays the streams or units attached to the inlet and outlet of the unit operation.
Summary (Tab) - Reciprocating

Design
A reciprocating compressor is a positive displacement device. Each rotation on the shaft causes the piston
chamber to fill with fluid from the inlet and then discharge to the outlet. This is a rating model, and the cylinder
geometry is required information.
Machine Type
Select Reciprocating.
Use Simple Curve

Compressor curves cannot be used with a reciprocating model.
Main Data - Reciprocating

InQ
Delta P
Pressure Ratio
Adiabatic Efficiency (Calculated)

The ratio of the isentropic work required to compress the gas to the actual work done on the gas. This is cal-
culated based on the stroke efficiency and the machine clearances.
Speed
Use Ref. Phase Dens

Select which density to use for calculating delta P from head. A compressor normally operates only with vapor
flow. If a simulation model is not correctly initialized, the compressor may temporarily experience multiphase
flow, which will cause significant pressure oscillation. Selecting “Vapor” (the default), will prevent this problem,
but will underestimate the delta P if liquid is present in the fluid. Selecting “All” will give the correct conversion
even when there is liquid present in the compressor suction.
Reciprocating Data
Cylinder Bore
Cylinder Stroke
Displacement
Cylinder Clearance
Design Speed
Unloader Clearance
Stroke Efficiency
Advanced Modeling - Reciprocating

Inlet and Outlet Valves
Inlet and outlet valves can be modeled separately using the valve unit operation. Size the valve to have the
design pressure drop at the design flow based on vendor data. To model unloading by shutting inlet valves,
change the valve %Open.
Multiple Stages
Multiple stages can be modeled using separate compressor stages, and then connecting them on the same
shaft (see Shaft tab below). Similarly, for higher fidelity, Head End and Crank End cylinders can be modeled
separately. Intercoolers can be modeled using a cooler or heat exchange unit operation.
Material Summary
Material (Tab)
This tab shows the conditions, composition and properties of all of the inlets and outlets of the Unit Operation.
Curves (Tab)
Detailed Curves
Compressor curves characterize the compressor performance (head vs. flow and efficiency vs. flow) at dif-
ferent speeds.
Curve Flow Basis

Select between volume flow and mass flow as the flow basis for the curves.
Calc Type
The dropdown allows the user to select between adiabatic and polytropic efficiency. Note that this selection
applies to head curves as well.
Use Flow Curves

Use the supplied curve(s) to calculate compressor performance. More than one kind of curve can be entered,
but only one kind can be active at any time.
Use Efficiency Curve

Efficiency curves are specified together with head curves. The user can also opt not to use efficiency curves,
and simply specify a constant efficiency instead. This is done by unchecking the Use Efficiency box.
Note that the efficiency at zero flow must be zero. If a zero point is not specified, the simulator will internally add
a zero point to the efficiency curve.
Use MW Curves
Molecular weight curves are specified together with head curves. The user can also opt not to use molecular
weight curves. This is done by unchecking the Use MW Curves box.
Use Angle Curves

Guide vane angle curves are specified together with head curves. The user can also opt not to use angle
curves. This is done by unchecking the Use Angle Curves box.
Use Alt. Angle Convention

The default convention is that a guide vane angle of 0 degrees corresponds to fully closed. Checking the box
uses a convention where an angle of 90 degrees corresponds to fully closed.
Active
Selects whether the curve should be used in the simulation. At least one curve must be active for the integrator
to run.
Plot (Tab)
Curve Type
User Input
This option will plot the curves as the user entered them
Curve Sets
Choose which set of curves to plot (Head, Efficiency, or both)
Curves
Select which curve to plot, or plot all of them
Show Current
Show the current operating point
Regressed
This plots the curves as the program has regressed them. This option is available even when Simple Curves
are used, so that the user can visualize the generated curves. It will also show how the curves are extrapolated.
Map
Choose which map to plot (Head, Efficiency, or Power). This allows the user to view the map generated from
the specified curves (e.g. power map from specified head and efficiency curves) and check them for con-
sistency.
Normalize wrt. Speed

This option will plot the curves after normalizing them by the speed. This allows the user to more easily check
the curves for consistency.
Design Speed
Design Head
Design Flow
Plot Window
Plot control
Check Boxes
Advanced…
Allows for more advanced configuration of the plot window, clicking the Advanced button will bring up the fol-
lowing form:
Save As JPG…
Copy
Print…
Prints the plot to a user specified printer
Shaft (Tab)
A compressor can be simulated using either a fixed or variable speed. Also, one can link multiple compressor
stages on the same shaft, together possibly also with an expander, steam turbine or electric motor. Typically, in
these cases, one will also specify the rotational inertia, so that the speed dynamics can be modeled.
Inertia
Specify two out of the three variables, and the third will be calculated. If you do not want inertial calculations, set
the Inertia to zero.
Inertial Mass
The mass of the rotating parts (axle and rotor).
Radius of Gyration
The effective radius of the rotating mass. For a cylindrical shape it is equal to r/sqrt(2).
Inertia
The inertia of the rotating parts.
Shaft
The shaft frame reports the energy/torque balance across the stage, and is also used to connect multiple items
on a single shaft.
Upstream Unit Op
The equipment connected to the shaft on the input side (corresponds to Shaft Power In).
Gearbox Ratio
Speed ratio between upstream equipment and this equipment.
InQ
Work applied directly to this stage.
Shaft Power In
Work transferred from upstream equipment.
Power To Fluid
The total rate of energy transfer to the fluid.
Shaft Power Out

Work transferred to downstream equipment.
Mechanical Loss
The power lost to friction on this stage.
Torque To Fluid
The torque applied to the fluid.
Shaft Torque In
The torque transferred from upstream equipment.
Shaft Torque Out

The torque transferred to downstream equipment.
Friction
The work lost to friction, which is calculated from frictional torque.
Fixed Frictional Torque

A frictional torque term which is independent of speed.
Var. Frictional Torque

A frictional torque term which varies linearly with speed. The speed unit is always rpm. I.e. torque = factor*rpm.
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Level
Efficiency
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
l Nozzle efficiencies can be specified for product nozzles as well. These efficiencies will be used if the flow
reverses (i.e. the product nozzle becomes a feed to the holdup). If you have specified nozzle efficiencies
for feed nozzles, it is best practice to specify them for product nozzles as well.
Feed Nozzles / Product Nozzles

e.g. a separator
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Controller
Controllers
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Logical\Controller.vmp
Flowsheet Tools\Information Operations\envelope.vmp
General
The Controller unit operation is a single variable equation solver that meets a user specified target value by
manipulating another variable specified by the user.
By clicking the Schematic / Connection Node you can view a schematic diagram and connections of the Con-
troller.
PV
The connected PV (process variable). This is the variable that the controller monitors while manipulating the out-
put variable (OP) until it matches the set point (SP).
SP
The connected SP variable. This connection is optional, and would be used if it was desired to connect to
another port in the simulation to obtain a set point.
OP
The connected OP variable. This will be the variable that the controller manipulates in order to have the process
variable (PV) match the set point (SP).
Summary (Tab)
Performance
The performance frame shows the PV/TargetVar, SP/TargetVal and OP/ManVar values.
PV/TargetVar Value
Shows the current value of the PV/Target Variable.
SP/TargetVal Value
Shows the current SP/Target Value.
OP/ManVar Value
Shows the current value of the OP/Man variable. If the connected object does not yet have a value, an estimate
of the manipulated variable can be entered in the current value cell.
Note that connections for the PV/TargetVar, SP/TargetVal and OP/ManVar can be managed and viewed
through the performance frame by clicking the in the connection column
OP/ManVar Range
The OP/Man Range frame shows the minimum and maximum OP values as well as the step size value.
OP Min
If applicable, the minimum allowable value for the manipulated variable can be entered here. The solution
algorithm will ensure the manipulated variable is greater that this value. The internal default value is -1e100.
OP Max
If applicable, the maximum allowable value for the manipulated variable can be entered here. The solution
algorithm will ensure the manipulated variable is less that this value. The internal default value is 1e100.
Step Size
A user entered maximum step size that will be used by the controller’s solution algorithm. The step size is typ-
ically a fraction of the normal range of the manipulated variable values. Decreasing the step size can help to con-
verge problems that may have discontinuities, such as cases where the target variable is a vapor fraction. This
value must be provided in order for the controller to solve.
Settings
Active
Toggle that allows the controller to be active or not. When the controller is active it will attempt to manipulate the
OP such that the PV matches the SP. When the Controller is not active the OP can be specified directly and the
controller will not attempt to adjust it such that the PV matches the SP.
Keep History
If selected, a History tab that records the iteration history for the controller will be added to the controller form.
Max Error
The relative tolerance to which the PV will match the SP. Error is defined as:
Error = |PV – SP| / (ScaleFactor)
The PV and SP are used in internal units (VMG units set). The ScaleFactor depends on the type of variable of
PV, in other words, the ScaleFactor for a temperature may be different from a pressure.
Max Absolute Error

The absolute tolerance in PV units to which the PV will match the SP.
Max Controller Iterations

The maximum number of iterations the controller solution algorithm will be allowed to perform. If the maximum
number of iterations is reached the controller can be restarted from the most recent values by checking and
unchecking the Ignored check box.
Advanced
Expanding the "advanced" box will grant access to the following options:
Action
This variable indicates the expected direction in which the controller has to move the manipulated variable (OP)
in order to move the target variable (PV) closer to its target value (SP). This variable is completely ignored
unless “Use Direction” is checked.
If Action is “Direct”, then it is assumed that an increase in the manipulated variable will decrease the value of the
target variable. If Action is “Reverse”, then it is assumed that an increase in the manipulated variable will result
in an increase in the value of the target variable.
This information is usually not necessary because the path of solution is automatically estimated by the numer-
ical solver behind the controllers.
Use Direction
The value of the “Action” may be used by the controller solver if “Use Direction” is set to True (checked). The
information provided by “Action” is particularly used when the controller hits an insensitive region in which a
change in OP does not result in a change in PV. A common example of these types of problems is when the PV
is a vapor fraction of a stream. This value can only change from 0.0 to 1.0 and it is possible to encounter situ-
ations in which a change in OP will keep the vapor fraction as 0.0 or 1.0 but further changes in the same dir-
ection may eventually cause a change in the value of the vapor fraction.
History (Tab)
If the Keep History setting is enabled, a History tab will appear on the controller form. This tab will summarize
the history of the MV steps taken by the controller as well as the resulting PV values. The most recent values
are listed at the top.
Settings
The Setting Frame allows the configuration of the history to be modified.
Max History Points

The maximum number of iteration results kept by the history tab. The default value is 50.
Clear History
Clicking the Clear History check box will remove the iteration history.
Controller Example
In this example, a natural gas stream is cooled and passed through a separator in order to drop out some of the
heavier components as liquids. A Controller unit operation will be used to adjust the temperature to which the
natural gas stream is cooled in order to obtain a specific n-Butane composition in the exiting vapour stream. A
PFD of the process is shown below:
Create a new VMGSim case and select the APR for Natural Gas property package and add the following com-
ponents: methane, ethane, propane, iso-butane, n-butane, iso-pentane, n-pentane and n-hexane. Switch the
unit set to Field. Create a Material stream and specify it as shown below:
Create a Cooler and Material stream (S2), specify the pressure drop over the Cooler to be 5 psia, and specify
the Temperature of S2 to be 32 °F. Connect S1 to the inlet of the cooler and S2 to the outlet of the cooler.
Now add a Separator and two additional Material Streams (S3 and S4) to the case. Connect S2 to the inlet of
the Separator, S3 to the vapor outlet of the Separator and S4 to the liquid outlet of the Separator.
At this point the case should be fully solved and ready, we proceed with the addition of the Controller:
We are ready to add our PV/Target Var, for this we open the stream S3 and right click on the n-Butane mole
fraction and on the menu displayed we click on "Copy Connection":
Back to the controller, we right click on the PV/TargetVar value box and on the new menu displayed we click on
"Paste Connection/S3.In.Fraction.n-BUTANE":
Now, to connect the manipulated variable to the temperature in S2 we can proceed the same procedure stated
above (Copy/Paste connection) or we can use the connected object pull down and selecting <Browse>.
This will bring up a navigation form. Select the T variable from S2.In.
Finally, specify a SP/TargetVal of 0.005, an OPMin of -150 °F, an OPMax of 100 °F, a Maximum Absolute Error
of 1e-6 and a Step Size of 25 °F. The controller has enough information to solve and will appear as shown
below.
Controller Dynamics
Controllers - Dynamics
Main Flow sheet
PFD Stencil
General
In dynamics the controller acts as a single-input, single-output PID controller.
By clicking the Schematic / Connection Node you can view a schematic diagram and connections of the Con-
troller.
Summary(Tab)
Performance
Connections can be made either through the diagram view at the top op the form, or through the connections
column in the Performance node.
PV Connected Object
The process variable for the controller. This can be a process measurement such as a temperature or pressure,
or it can be the output from another block such as a selector block.
PV
The conditioned PV value as used in the control algorithm. This is the value of the PV Connected Object after
PV Range clipping and PV filtering has been applied.
Remote SP Connected Object (Optional)

The source for the remote setpoint. This is not required if the local setpoint is always selected.
SP
The current controller setpoint. This may be user specified (local), imported (remote), or calculated (setpoint
ramping).
OP Connected Object
The target for the output signal. This can be a final control element such as a valve, or it can be another block
such as a selector block or a slave controller.
OP [%]
The controller output after any filtering, expressed as percent of OP range.
Settings
Mode
The controller mode:
Off
No display update and no control calculation.
Indicator
PV, including filtering and alarms is active. No control calculation – output connection not required.
Manual
No control calculation, and output can be externally set. PV, including filtering and alarms is active.
Auto
Normal operation with local setpoint.
Cascade
Normal operation with remote setpoint.
Action
The direction of the control response relative to the error.
Tuning / Var Range
Kc (Proportional Gain)
The ratio between percent change in OP and percent change in PV.
Ti (Integral Time)
If integral time is specified, a fraction of the error will be integrated into the output every calculation. Over Ti
minutes, Kp times the error will be added.
Td (Derivative Time)
If derivative time is specified a multiple of the rate of change of the error will be added to the controller output.
The amount is Kp*Td(min)*(rate of change/min).
PV Min / PV max
The PV range which corresponds to 0-100% signal.
OP Min / OP max
The OP range which corresponds to 0-100% signal.
Advanced
Control Equation
Based on the selected Equation, Tuning Variable can be specified
Dependent
The control equation is of the form :
and the Tuning Parameters Kc,Ti, Td can be specified
Independent
The control equation is of the form :
and the Tuning Parameters K (Gain Multiplier), Kpr(Independent proportional gain), Ki(Integral gain), Kd(Deriv-
ative gain) can be specified in the Tuning/ Var Range tab.
St. State Active

If you select this, the controller is active in steady as well.
Algorithm
The algorithm can operate either on the error (Positional), or the change in the error (Velocity).
Anti Reset Windup

Flag to indicate if anti reset windup behavior is desired.
Back Initialization
Flag to indicate if back-initialization is desired. If enabled, the controller output will back-initialize if it is the mas-
ter in a cascade loop and the slave is not in cascade more. Similarly, the output will back initialize if it is con-
nected to a selector block and it is not the active input.
Setpoint Tracking
Flag which defines whether Setpoint should be back-initialized from PV when controller is in manual.
Remote Setpoint Type

The remote setpoint may be from another controller, in which case it has already been normalized, or the set-
point may come from a calculation block which has left the value in PV Units. Use this item to define whether
scaling is required:
Percent – no scaling required
PVUnits – scaling required
Execution Mode
l Internal – the controller operates normally
l External – the controller is updated by an external controller, In this mode, External OP% can be spe-
cified in the performance tab
OP
The scaled output value.
PV Over
In order to provide an error signal for control when the setpoint is at the upper or lower bound, the scaled PV is
allowed to exceed the range of 0-100% by a defined amount (By default, 7% - i.e. range is -7% to 107%). This
variable can be used to adjust that quantity.
OP Over
In order to achieve a tight seal on control valves, and also to avoid chattering when the output is close to a limit,
the scaled output is allowed to exceed 0-100% by a defined amount (By default, 7% - i.e. range is -7% to 107).
This variable can be used to adjust that quantity.
OP Min/Max Stop
Lower and upper limit on controller output. This is typically used to prevent controller windup when there is a cor-
responding physical stop on a control valve.
Sample And Hold Time

This can be used to model an analyzer or any other situation where the PV value updates at a slow frequency.
Is Analyzer
When this is checked, in addition to the sample and hold time, there is a one cycle delay in the sampled value to
simulate the analyzer processing time.
Sample Time Remaining

This shows how much time is remaining until the next sample when Sample And Hold has been activated.
Cycle Time
Sets the frequency/cycle time for executing the controller algorithm. By default the controllers execute every
simulation step, but it may be useful to specify the cycle time to match the plant hardware. The value is low-lim-
ited to the simulator stepsize.
Split Range
Split Range
By default, this is set to Off. To enable Split Range, select one of the following options:
l Off - No split range

l Custom - User selects values for bias and scale - see OP1 Bias/Scale and OP2 Bias/Scale below
l Shut 1 - Open 2 - As the master OP goes from 0% to 50%, OP 1 goes from 100% to 0%. As the
master OP goes from 50 % to 100%, OP 2 goes from 0% to 100%
l Open 1 - Shut 2 - As the master OP goes from 0% to 50%, OP 1 goes from 0% to 100%. As the
master OP goes from 50% to 100%, OP 2 goes from 100% to 0%
l Crossover - As the master OP goes from 0% to 100%, OP 1 goes from 0% to 100%, and OP 2
goes from 100% to 0%
l Sequential - As the master OP goes from 0% to 50%, OP 1 goes from 0% to 100%. As the master
OP goes from 50 % to 100%, OP 2 goes from 0% to 100%
OP1
This is the value of the first output after it has been scaled using the OP range.
OP2%
This is the value of the second output. This output is always in percent. If you need to convert the value to dif-
ferent units, connect the output to a selector block.
OP2 Min / OP2 Max

The output range for OP2. The calculated value for OP2 will be scaled using this range.
OP1 Bias / OP1 Scale

This Bias and Scale is applied to the controller master output to calculate OP1 as a percent. OP1 = (OP1
Scale)*(Master OP) + (OP1 Bias). The value is then clipped using the OPOver value, and then converted using
the OP range (OP Min / OP Max).
OP2 Bias / OP2 Scale

This Bias and Scale is applied to the controller master output to calculate OP2 as a percent. OP2 = (OP2
Scale)*(Master OP) + (OP2 Bias). The value is then clipped using the OPOver value, and then converted using
the OP2 range (OP2 Min / OP2 Max).
Ramping
You can ramp either the controller setpoint or the controller output. For setpoint ramping to work, the controller
must be either in automatic or cascade. For output ramping to work, the controller must be in manual.
Ramping Active
Flag indicating whether setpoint ramping is active or not.
Ramp Time
The interval over which the setpoint should be ramped to the new target.
Ramp Mode
Ramping uses one of three modes:
Discrete – when the ramp completes, the controller reverts to normal (non-ramping) behavior, and the Ramp-
ing Active flag is reset.
Continuous – any setpoint changes will be ramped until Ramping Active is manually disabled.
Output – the output will be ramped at a rate defined by Rate Limit until the OP Target is reached.
SP Target
The target setpoint for a ramp. The SP will display the current setpoint, which may be different from the target if
a ramp is active.
Rate Limit
Ramping takes the same time to complete, regardless of the magnitude of the change. Sometimes, what is
required is a limit on the rate of change of the SP. Use this item to specify a limit on rate of change.
OP Target
The target output for output ramping. This variable is visible when the Ramp Mode is Output. The rate at which
the output is ramped is determined by Rate Limit, which must be specified.
Filtering
PV Filter / PV Filter 2
The controller allows for two first order filters which can be used to filter noise / high-frequency signals. The fil-
ters are active if the time constant is non-zero.
OP Filter
A first order filter will be applied to the output if this value is non-zero.
SP Filter
A first order filter will be applied to the setpoint if this value is non-zero.
Deriv Compensating Filter

A “classic” derivative action formulation suffers from the problem that gain increases with frequency, thus mak-
ing the behavior very sensitive to high frequency noise, and very often making the control action unstable. One
way to correct the problem is to filter the PV. The downside to this approach is that it impacts controller per-
formance. A superior solution is to add a compensating integral term (the denominator) to just the derivative
term. Instead of a frequency response , we use
. This limits the gain on the derivative term. The default value for a is 16. The
compensation can be disabled by setting a to zero. Smaller values of a imply larger compensation and a smaller
cap on the derivative contribution.
Noise magnitude
This allows adding noise to the PV signal. Use this value to specify the maximum magnitude of the noise con-
tribution.
Noise decay time

Noise is added at each integrator step. Each addition (innovation) is then decayed at a rate specified by the
decay time. This gives the noise a correlated appearance. Use this parameter to specify the decay time, and
hence the degree of autocorrelation.
OP Bias
A bias applied to the output calculated by the controller. It can be used to simulate an offset in a final control ele-
ment.
OP Drift
A drift which is applied to the OP Bias. If the value is non-zero, the OP Bias will increase or decrease at the spe-
cified rate.
PV Bias
A bias applied to the scaled PV input calculated by the controller. It can be used to simulate an offset in a sensor
element.
PV Drift
A drift which is applied to the PV Bias. If the value is non-zero, the PV Bias will increase or decrease at the spe-
cified rate.
FeedForward
Feed Forward Control

Set to Yes to enable feedforward control.
FeedForward Input
Connect this item to the feedforward variable to be used.
FFwd Min / FFwd Max

The feedfoward value must be normalized to 0-100%. These values provide the input range for normalization.
FFwd Gain
The gain for the feedforward component - i.e. output contribution = FFwd % * gain.
FFwd Lag Time Const / FFwd Lead Time Const

Lead lag compensation can be applied to the feedforward variable. This takes the form of two time constants.
FFwd Delay Time

A delay can be applied to the feedforward variable. Specify the delay time here.
Auto Tuning
AutoTune Mode
Set this to
l None – Autotuning is disabled
l ATV1 – AutoTuning type 1
l ATV2 – AutoTuning type 2
AutoTuning type 1 is the classical autotuning as described by Astrom. AutoTuning type 2 is a variation which
uses two relays in parallel. The tuning constants calculated by ATV2 will, in general, be more aggressive than
those calculated by ATV1, but for most systems ATV2 appears to be stable and provide improved control qual-
ity.
Autotune Pert Size

Specify the size of the disturbance which is imposed on the output as a percent of the output range.
Accept AutoTuning Results

Set this to true to transfer to autotuning results to the controller. The variable will automatically reset to false.
AutoTune Kp
The controller gain calculated by the autotuner
AutoTune Ti
The controller integral time calculated by the autotuner
AutoTune Td
The controller derivative time calculated by the autotuner.
Autotune Loop Gain

The gain as calculated by the autotuner
Autotune Loop Period

The cycle period as calculated by the autotuner
Gain Scheduling
Gain scheduling allows the controller gain and integral time to be changed depending on the region of operation
Gain Scheduling Active

Set this to true to enable gain scheduling
Num. Gain Zones

The desired number of zones to be constructed
Gain Scheduling Type

The scheduling can be based on
l PV
l Err
l SP
Gain Sched Settings

This table allows the user to specify the desired values. The value entered for Gain Schedule Zone is the upper
bound for the zone.
If a value is omitted (not recommended), the controller gain or integral time will not be changed, and will remain
at its previous value
Alarms (Tab)
Alarm Dead Band

This prevents the controller from going in and out of alarm when very small changes in value occur. The con-
troller enters the alarm state at the specified value, but the alarm clears only when the value is less than the
alarm limit by the specified Dead Band amount. Note that the Dead Band is expressed as a percent of range.
Status
This table shows the status of all available alarms. Alarms that do not have setpoints are considered to be in a
Normal state.
Setpoints
This table allows the user to specify alarm values. There are five kinds of alarms that can be specified:
l PV: Based on the process value
l DV: Based on the deviation from setpoint – i.e. abs(PV – SP)
l SP: Based on the setpoint
l OP: Based on the output (expressed as percent of range)
l Rate of change: Based on the rate of change per minute of the PV value. For this item, there is no dead
band.
l Lev. Res Time. The time for a the liquid level variable to reach the alarm condition. Only applicable when
connected to liquid level variables.
For each alarm type, the user can specify any of four alarm setpoints: Low-Low, Low, High, High-High. To
remove an alarm specification, select the cell and hit the delete key.
References
Åström, K. J.; Hägglund, T. Automatic Tuning of Simple Regulators with Specifications on Phase and
Amplitude Margins. Automatica 1984, 20, 645-651.
Friman, M.; Waller, K. V. A Two-Channel Relay for Autotuning. Report 96-6, Process Control Laboratory, Åbo
Akademi, Åbo. 1996.
Cooler
Cooler
Main Flow sheet
PFD Stencil
Examples Heat Exchange\Cooler.vmp
General
A Cooler represents a heat exchanger where one side is a process stream that needs to be cooled to desired
set of conditions and the other side is represented by a cooling duty.
A schematic diagram and the connections of the Cooler can be viewed by clicking the Schematic / Connection
node.
Number of Segments
This defines the number of segments used for calculations performed by the Cooler unit operation. The default
value is 1 segment, which is sufficient for basic heat exchange information. The number of segments should be
increased if profiles (e.g. temperature) and more detailed information related to the heat exchange are
required.
Summary Tab
Main Data
By default the Main Data frame will contain the following information. These values are either specified by the
user or calculated by the Cooler.
OutQ
The energy stream out of the Cooler.
Out T
Outlet temperature for the cooler. Same value as the temperature of the outlet material port.
Delta P
The pressure drop over the Cooler.
Delta T
The temperature drop over the Cooler.
Deg Sub Cooling

Deg Sub Cooling is the difference between the temperature at the outlet of the cooler and the bubble point tem-
perature at the outlet pressure. If the Calc Sub Cooling is enabled (click Advanced node and select appropriate
check box) this signal will be added to the Main Data frame.
Deg Super Heating

Deg Sub Heating is the difference between the temperature at the outlet of the cooler and the dew point tem-
perature at the outlet pressure. If the Calc Super Heating is enabled (click Advanced node and select appro-
priate check box) this signal will be added to the Main Data frame.
The following figure shows the Main Data frame with both the Calc Sub Cooling and Calc Super Heat options
enabled in the Advanced frame.
Advanced
The Advanced frame contains check boxes to enable/disable calculations that are performed by the Cooler. By
default this frame is closed, but can be opened by clicking on the node.
Calc Sub Cooling

When Calc Sub Cooling is enabled, the Deg Sub Cooling Signal will be added to the Main Data frame.
Calc Super Heating

When Calc Super Heating is enabled, the Deg Super Heating Signal will be added to the Main Data frame.
Profile Tab
Allows selected properties to be viewed for each segment in the cooler. The defaults are pressure, energy accu-
mulated by the energy stream and the enthalpy of the solution.
Add/Remove
Plot Tab
X-Variable
Y-Variable
Plot Window
Plot Control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Cooler Example
In this example we will use the Cooler unit operation to determine the maximum allowable inlet temperature for
a hydrocarbon stream, with a fixed flow rate and composition, flowing into a cooler set at a maximum cooling
duty. An outlet temperature of -25 °F must be maintained.
Start a VMGSim project and select the Advanced_Peng_Robinson property package. Add methane, ethane,
propane, isobutane, n-butane, isopentane, n-pentane, n-hexane, and n-heptane. Switch the unit set to Field.
Create a cooler and specify the inlet and outlet as shown below.
Specify the pressure drop to be 5 psi and the Energy Out Duty to be 400000 Btu/hr. The cooler will solve and
show that, for this flow rate and composition, the inlet temperature of the hydrocarbon stream can be up to
170.5 °F and the cooler will still be able to maintain an outlet temperature of -25 °F.
Go to the Profile tab and Press the Add/Remove button. Add the VapFrac and T properties by selecting them
from the available properties list and clicking the > button. Then press the OK button.
Change the Number of Segments to 10 by clicking on the Number of Segments text box and pressing enter
after changing the value. Your Profiles tab should be similar to the one below.
Switch to the Plot tab and change the plotted variables using the X-Variable and Y-Variable pull down menus.
An example of such a plot is shown below.
Cooler Dynamics
Cooler Dynamics
Main Flow sheet
PFD Stencil
General
A Cooler represents a heat exchanger where one side is a process stream that needs to be cooled to desired
set of conditions and the other side is represented by a cooling duty.
A schematic diagram and the connections of the Cooler can be viewed by clicking the Schematic / Connection
node.
Summary (Tab)
Main Data
user or calculated by the Cooler.
A cooler requires one energy specification:
Out Q
The cooler duty. Be aware that this specification can cause problems with unreasonable temperatures if the
feed flow is reduced.
Out T
The duty will be calculated to maintain the specified outlet temperature. The duty can become very large if the
feed temperature suddenly changes. Also, the temperature out is the holdup temperature, and will be applied to
all streams which have an outward flow.
Delta P
The pressure drop across the exchanger. If specified, the specification will be applied in the same manner even
if the flow reverses. Note also that a delta P specification can result in an infeasible outlet pressure if the inlet
pressures becomes too small.
Heat Loss
The calculated heat loss based on the Heat Loss Calc Type selected.
Heat Loss Calc Type

The type of heat loss calculation required. Selecting anything other than None makes the Heat Loss Tab visible
where data can then be entered.
Percent Level
The percent level in the cooler.
Level
Cooler Configuration
Volume
k
Thermosiphon Effect
Checking this will cause the pressure balances in the cooler to take account of elevation differences between
the cooler and adjacent connected equipment even if static head calculations are not enabled. This can be con-
venient, since enabling static head calculations requires that all equipment and nozzle elevations be set cor-
rectly.
Geometry and Levels

The geometry information entered here is currently used only for calculating liquid level in the exchanger. This
information is not required unless you intend to do level control. If you do configure level control, you will need to
check and adjust the inlet and outlet nozzle location and size.
Orientation
The equipment orientation – vertical or horizontal.
Inclination
The angle of inclination of the cooler – 0° - 90° : Inlet is higher, 90° - 180° : Outlet is higher (¹See below for more
details).
Length
The equipment length
Diameter
The equipment diameter
Phase Fraction Calc

The method used to calculate the phase fraction in the product.
l Simple – The phase fraction in the product is the same as the phase fraction in the equipment
l Level – The phase fraction in the product is based on the levels in the equipment and the location of the
nozzles
Material Summary
¹More details for Coolers Inclination
Heat Loss (Tab)

Heat Loss Calc Type
Simple Heat Loss

Duty
Calculated duty.
UA
U
Area
Process T
Outside Data
Ambient Temperature
Outside T
Outside T
Detailed Heat Loss

Duty
Calculated duty
Process T
Layer Count
Outside Temp Source
Ambient Temperature
Outside T
Heat Transfer Coeff

Inner HTC Corr.

Inner HTC
Inner HTC Scale

Outer HTC Corr.

Outer HTC
Outer HTC Scale

Information related to the radiant heat transfer inside and outside the cooler is defined within this frame.

Checking this option includes radiant heat transfer on the inside of the cooler. The radiant heat transfer is driven
by an equation taking into account the process temperature, inner wall temperature, inner process emissivity,
and the wall emissivity (Kern, 1950).



Checking this option includes radiant heat transfer on the outside of the cooler.
Radiant HT Method
The method used to calculate the radiant heat transfer on the outside of the cooler.
Grey Body
(Kern, 1950).
ISO Fire Heat




Layer Name
Density
Heat Capacity
Thickness
Walls Detailed
Area
geometry.
Duty
Temperature
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Nozzle efficiencies are specified under Nozzles|[Nozzle Name]|Efficiency.
Efficiency Type
Level

Notes (Tab)
Cross Connector
Cross Connectors
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Logical\CrossConnector.vmp
General
Cross-Connectors are information propagation unit operations designed to connect flowsheets, sub-flow-
sheets and unit operations that use different thermodynamic properties.
A schematic diagram and the connections of the Cross Connector can be viewed by clicking the Schematic /
Connection node.
Summary Tab
Intensive Variables
The Intensive Variables frame contains the intensive variables that are maintained between the cross con-
nectors inlet and outlet.
Intensive Var1/Var2
The intensive variable that will be used as a basis for transferring data. The options are:
T: The temperature will be matched between the two streams
P: The pressure will be matched between the two streams
H: The enthalpy will be matched between the two streams
S: The entropy will be matched between the two streams
VapFrac: The vapor fraction will be matched between the two streams
Auto: If the inlet stream is multi phase, the vapor fraction will be matched. Otherwise, the temperature will be
matched. If matching the temperature causes phases change, a bubble or dewpoint specification will be used to
force the outlet phase fraction to match the inlet.
Advanced
The Advanced frame contains the following.
Connection Type
Specifies the behavior of the Cross Connector for the propagation of the component data.
Generic
The composition in the input and output are matched by component name.
Oil
The composition in the output is estimated for the oil components in the mixture (created from an oil char-
acterization) to minimize the error in molecular weight and normal boiling point.
This is useful when mapping a composition from an assay defined with a slate of pseudo components to an
assay with a different set of pseudo components.
The components that have identical names on both sides of the cross connector preserve their composition.
Inlet
This frame contains information about the connected Inlet. To make a connection, click on the textbox beside
Connected Stream/Unit Op and select the appropriate connection in the pull down menu or select Browse and
use the connection selection window to choose the desired connection and then click Ok.
Outlet
This frame contains information about the connected Outlet. To make a connection, click on the textbox beside
Connected Stream/Unit Op and select the appropriate connection in the pull down menu or select Browse and
use the connection selection window to choose the desired connection and then click Ok.
Cross Connector Example

This example examines a heat exchanger that heats a hydrocarbon stream using steam. The accuracy of the
energies and steam flow rates predicted using a single property package can be improved upon by using two
property packages that are well suited to each stream in the heat exchanger. The hydrocarbon stream (heater)
will use the Advanced_Peng_Robinson property package and the steam (cooler) will use the Steam95 prop-
erty package. The heat exchanger will be modeled by a heater and a cooler (located in a sub-flowsheet) that
share an energy stream.
To begin, create a new VMGSim case and add an Advanced_Peng-Robinson property package with the fol-
lowing components: nC7, nC8, nC9 and nC10, and switch the unit set to SI. Create a Heater unit operation and
specify it as shown below.
Now create a sub-flowsheet . Note that a new tab in the PFD view and an additional branch in the sim-
ulation tree are created for the sub-flowsheet. The sub-flowsheet PFD can be created in the PFD environment
by selecting the tab or by adding unit operations in the sub-flowsheet branch of the simulation tree.
Click the Thermo model button and click on <Add New Package>.
Select the Steam95 property package and add water as a component, click Apply. Click + beside the new prop-
erty package and select SFS1 from the Add New Link pull down menu.
Click OK to save the changes and to exit the thermo model window. Any unit operations added to the sub-
flowsheet will now use the steam property package, while the Main Flowsheet will still use the Advance_Peng_
Robinson property package that was created initially.
Create a cooler in SFS1 and specify it as shown.
Now click on the button in the Main Data frame to expose the connection column.
Select the Connection cell for OutQ and choose Browse from the pull down list. Use the navigation form that
appears to connect OutQ to InQ of heater H1 in the main flowsheet. Note that the reference flowsheet has to be
changed to point the root while using the navigation form.
Once the connection has been made, the Main Data frame will appear as below.
You can now click on the button in the Connection column title to hide the details of the connection.
Note that “…” in a row indicates that there is a connection in that cell, the details of which can be viewed by
either hovering the mouse over the cell or by expanding the Connection column.
The cooler will now have enough information to solve, and the required amount of steam to heat the hydro-
carbon stream will be calculated.
A cross connector can be used to make the steam flow rate calculated in the sub-flowsheet available in the flow-
sheet. To do this switch to the main flowsheet by clicking on the Main Flowsheet tab in the PFD, as shown
below.
Or select the Main Flowsheet branch in the simulation tree.
Click the Thermo model button and select the RootThermo Property package and add water to the
Advanced_Peng_Robinson property package. Click Ok to return to the Main Flowsheet.
Add a material stream and name it WaterFromSFS1. Create a Cross Connector, click on Connected
Stream/Unit Op of the Inlet, and navigate to the Out port of Cooler C1 in SFS1 as shown below.
Now connect WaterFromSFS1 to the Outlet of Cross-Connector X1.
Cross connectors always preserve mass and composition between the two property packages. By default, pres-
sure and temperature are also preserved but the user can select two other intensive variables. Please note that
differences in property packages will cause the conditions and properties of the inlet and outlet streams to differ.
Additionally, in this case the energy flow has changed due to the different enthalpy basis between the two prop-
erty packages. Also note that the inlet stream has a vapor fraction of 0 and the outlet stream has a vapor frac-
tion of 1.
Try changing the intensive variables preserved between the two property packages and make note of the effect
the different combinations have on the properties of the Inlet and Outlet ports.
This system requires a specification in Intensive Var 1 as “Auto”. This option will preserve either vapor fraction
or temperature depending on the situation. Notice that the temperatures of the Outlet port differ from the Inlet
port by 0.2 °C but the Outlet vapor fraction is the same as the Inlet.
Cross Connector Dynamics

Cross-Connectors Dynamics
Main Flow sheet
PFD Stencil
Examples CrossConnector.vmp
General
Cross-Connectors are information propagation unit operations designed to connect flowsheets, sub-flow-
sheets and unit operations that use different thermodynamic properties.
A schematic diagram and the connections of the Cross Connector can be viewed by clicking the Schematic /
Connection node.
Summary Tab
Intensive Variables
The Intensive Variables frame contains the intensive variables that are maintained between the cross con-
nectors inlet and outlet.
Intensive Var1/Var2
The intensive variable that will be used as a basis for transferring data. The options are:
l T: The temperature will be matched between the two streams
l P: The pressure will be matched between the two streams
l H: The enthalpy will be matched between the two streams
l S: The entropy will be matched between the two streams
l VapFrac: The vapor fraction will be matched between the two streams
l Auto: If the inlet stream is multi phase, the vapor fraction will be matched. Otherwise, the temperature will
be matched. If matching the temperature causes phases change, a bubble or dewpoint specification will
be used to force the outlet phase fraction to match the inlet.
Note that for Dynamics, Var2 must always be P, and Var1 must be something other than P. By default, Var1 is
Auto, which is generally a good selection.
Advanced
The Advanced frame contains the following.
Connection Type
Specifies the behavior of the Cross Connector for the propagation of the component data.
Generic
Oil
Inlet
This frame contains information about the connected Inlet. To make a connection, click on textbox beside Con-
nected Stream/Unit Op and select the appropriate connection in the pull down menu or select Browse and use
the connection selection window to choose the desired connection and then click Ok
.
Outlet
This frame contains information about the connected Outlet. To make a connection, click on textbox beside Con-
nected Stream/Unit Op and select the appropriate connection in the pull down menu or select Browse and use
the connection selection window to choose the desired connection and then click Ok.
.
DistCurve
DistCurve
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Information Operations\DistCurve.vmp
General
The DistCurve Unit operation calculates distillation curves, based on the composition of its input port, for mix-
tures with more than 4 compounds. Supported curves are TBP (True Boiling Point), ASTM D86, D1160,
D2887, and EFV (Equilibrium Flash Vaporization, NOTE that sometimes the EFV conversion method recom-
mended by the API is not reliable). The different distillation curves are always generated based on the TBP
curve. This unit operation also calculates the Product Distribution of the mixture based on 7 default cuts that can
be customized with different names and end temperatures. The Product Distribution settings are global to the
thermodynamic case.
The values of the In or Out material ports (inlet or outlet) will not be changed by the DistCurve operation; it only
uses the available information to calculate the desired distillation curve and then passes the information to the
appropriate port.
Summary Tab
Active Curves
A set of checkboxes to select desired boiling curves. By default, the TBP Curve and Product Distribution
options are enabled.
Basis
This frame enables the selection of the basis (Volume, Mass or Mole) of each distillation curve and product dis-
tribution. The default basis for each curve is Volume, except for D2887 which has Mass as default.
Distillation Curve Tabs

Distillation curves (TBP, D86, D2887, D1160 and EFV) will appear as an additional tab in the DistCurve form.
Each distillation curve tab has the same basic layout as the TBP tab shown below.
Single Cut Temperature

The boiling temperature at a specific distillation cut fraction calculated by interpolating the calculated distillation
curve.
Cut
Sets the cut distillation point for which a boiling temperature is desired.
Cut Temperature
Shows the interpolated boiling temperature for the set cut distillation point.
Gap temperature
The boiling temperature difference between two different distillation cut points.
Initial Cut
First distillation cut point for the Gap Temperature calculation.
End Cut
Final distillation cut point for the Gap Temperature calculation.
Gap Temperature
Boiling temperature difference between initial and end distillation cut points.
Configuration
Basis
Sets the basis of the active distillation curve.
Conversion Method
Sets the conversion method of the active distillation curve.
Table
Contains the data for the specific distillation curve in a table form (distillation cut points versus boiling tem-
peratures).
Curve
Display a plot of the distillation curve data.
Plot Window
The user can zoom into the plot window by clicking and holding the left mouse button while dragging the mouse
to create a zoom window of the desired section. Press the Esc key to un-zoom. The size of the plot window can
be increased by right clicking on it. This will make the plot window occupy the entire plot tab and the plot controls
to disappear, to make the plot control reappear right click on the plot window.
Plot control
Check Boxes
White or Color plot or switching the Y-axis between a linear or logarithmic scale.
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Product Distribution Tab

The Product Distribution tab shows the composition, flow and end temperature of each available cut defined in
the Settings tab. The compositions and flows are shown in the basis selected in the Summary tab or in the Con-
figuration Frame.
The product distribution is based on the volume, mass or mole fractions of the water-free components installed
in the flowsheet. The compositions of each defined cut are computed by adding the water-free fractions of the
components inside the boiling point range defined by the cut. For the first cut the initial temperature is the Initial
Boiling Point (the boiling point of the lightest component in the flowsheet) , the end temperature of the last cut is
the Final Boiling Point (the boiling point of the heaviest component in the flowsheet). The end temperature of
the last cut will be adjusted to match the Final Boiling Point.
The flows are based on the volume, mass or mole flow from the inlet port; if the flow is not specified then the
flows of the product distribution are not calculated.
Configuration
Basis
Sets the basis of the product distribution.
IBP
The boiling point of the lightest component in the flowsheet.
FBP
The boiling point of the heaviest component in the flowsheet.
Table
Contains the data for the product distribution in a table form.
Curve
Display a plot of the product distribution data.
Plot Window
Plot control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Settings Tab
In this tab the user can modify the number, name and end temperature of the Product Distribution cuts.
Settings
No. Products
The Number of Products or cuts can be set here. At least 2 cuts must be defined in order to solve the Product
Distribution.
IBP
The boiling point of the lightest component in the flowsheet.
FBP
The boiling point of the heaviest component in the flowsheet.
Product Distribution
The Products (cuts) name and end temperature can be modified here. For the first cut the initial temperature is
the Initial Boiling Point (IBP), the boiling point of the lightest component in the flowsheet and, the end tem-
perature of the last cut is the Final Boiling Point (FBP), the boiling point of the heaviest component in the flow-
sheet. If not known, the end temperature of the last cut can be specified as the one from the previous cut;
however, this end temperature will be adjusted to match the FBP in the Product Distribution calculations.
It is important to note that the cut names and end temperatures defined in this tab are global to the ther-
modynamic case, meaning that the same cuts are used if two or more distillation curves are added to a property
package.
The default cuts are:
Lights: IBP – 31.1 °F (nC4 boiling point)
Straight Run Naphtha: 31.1 – 200 °F
Naphtha: 200 – 380 °F
Kerosene: 380 -545 °F
Diesel: 545 – 670 °F
GasOil: 670 – 950 °F
Resid: 950 °F – FBP
Notes Tab
A rich text editor where the user can store notes related to the unit operation.
DistCurve Example
In the following example, distillation curves and product distribution will be calculated for a typical hydrocarbon
stream.
Start a new VMGSim case and add an Advanced_Peng_Robinson property package with the following com-
ponents: Nitrogen, Carbon Dioxide, Methane, Ethane, Propane, iso-Butane, n-Butane, iso-Pentane, n-
Pentane and n-Hexane. Switch the unit set to Field. Create two material streams, S1 and S2 and specify S1 as
shown below.
Create a DistCurve unit operation and connect S1 and S2 as shown below.
Select D86, D2887 and D1160 boiling curves from the Active frame, as shown below.
The Tabs for each of the boiling curves should be present on the DistCurve form.
Click on the D86 boiling curve tab to view the D86 boiling curve results.
Go to the Product Distribution tab and observe that the distribution was only calculated for two points because
the boiling point range of the available compounds goes up to 155.7 F, whereas the default cuts go up to 950 F.
Let’s modify the cut settings in order to see more cuts in the product distribution. Go to the Settings tab and add
the following products.
Return to the Product Distribution tab to see a more detailed distribution based on the previously supplied cuts.
DistCurve Dynamics
DistCurve - Dynamics
Main Flow sheet
PFD Stencil
Examples DistCurve Dyn.vmp
General
The DistCurve Unit operation calculates distillation curves, based on the composition of its input port, for mix-
tures with more than 4 compounds. Supported curves are TBP (True Boiling Point), ASTM D86, D1160,
D2887, and EFV (Equilibrium Flash Vaporization, NOTE that sometimes the EFV conversion method recom-
mended by the API is not reliable). The different distillation curves are always generated based on the TBP
curve. This unit operation also calculates the Product Distribution of the mixture based on 7 default cuts that can
be customized with different names and end temperatures. The Product Distribution settings are global to the
thermodynamic case.
The values of the In or Out material ports (inlet or outlet) will not be changed by the DistCurve operation; it only
uses the available information to calculate the desired distillation curve and then passes the information to the
appropriate port.
Summary Tab
Active Curves
A set of checkboxes to select desired boiling curves. By default, the TBP Curve and Product Distribution
options are enabled.
Configuration
Basis
This frame enables the selection of the basis (Volume, Mass or Mole) of each distillation curve and product dis-
tribution. The default basis for each curve is Volume, except for D2887 which has Mass as default.
Curves Cycle Time

The cycle time for calculating the curves when the integrator is running. Calculating distillation curves is very
CPU intensive, so they are not calculated every integrator step. This can also be viewed like the cycle time for
an analyzer.
Distillation Curve Tabs

Distillation curves (TBP, D86, D2887, D1160 and EFV) will appear as an additional tab in the DistCurve form.
Each distillation curve tab has the same basic layout as the TBP tab shown below.
Single Cut Temperature

The boiling temperature at a specific distillation cut fraction calculated by interpolating the calculated distillation
curve.
Cut
Sets the cut distillation point for which a boiling temperature is desired.
Cut Temperature
Shows the interpolated boiling temperature for the set cut distillation point.
Gap temperature
The boiling temperature difference between two different distillation cut points.
Initial Cut
First distillation cut point for the Gap Temperature calculation.
End Cut
Final distillation cut point for the Gap Temperature calculation.
Gap Temperature
Boiling temperature difference between initial and end distillation cut points.
Configuration
Basis
Sets the basis of the active distillation curve.
Conversion Method
Sets the conversion method of the active distillation curve.
Table
Contains the data for the specific distillation curve in a table form (distillation cut points versus boiling tem-
peratures).
Curve
Display a plot of the distillation curve data.
Plot Window
Plot control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Product Distribution Tab

The Product Distribution tab shows the composition and end temperature of each available cut defined in the
Settings tab. The compositions are shown in the basis selected in the Summary tab or in the Configuration
Frame.
The product distribution is based on the volume, mass or mole fractions of the water-free components installed
in the flowsheet. The compositions of each defined cut are computed by adding the water-free fractions of the
components inside the boiling point range defined by the cut. For the first cut the initial temperature is the Initial
Boiling Point (the boiling point of the lightest component in the flowsheet) , the end temperature of the last cut is
the Final Boiling Point (the boiling point of the heaviest component in the flowsheet). The end temperature of
the last cut will be adjusted to match the Final Boiling Point.
Configuration
Basis
Sets the basis of the product distribution.
Table
Contains the data for the product distribution in a table form.
Curve
Display a plot of the product distribution data.
Plot Window
Plot control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Settings Tab
In this tab the user can modify the number, name and end temperature of the Product Distribution cuts.
Settings
No. Products
The Number of Products or cuts can be set here. At least 2 cuts must be defined in order to solve the Product
Distribution.
Product Distribution
The Products (cuts) name and end temperature can be modified here. For the first cut the initial temperature is
the Initial Boiling Point (IBP), the boiling point of the lightest component in the flowsheet and, the end tem-
perature of the last cut is the Final Boiling Point (FBP), the boiling point of the heaviest component in the flow-
sheet. If not known, the end temperature of the last cut can be specified as the one from the previous cut;
however, this end temperature will be adjusted to match the FBP in the Product Distribution calculations.
modynamic case, meaning that the same cuts are used if two or more distillation curves are added to a property
package.
Naphtha: 200 – 380 °F
Diesel: 545 – 670 °F
GasOil: 670 – 950 °F
Notes Tab
Ejector
Ejector
Main Flowsheet
PFD Stencil
Examples Piping and Flow\EjectorDesign.vmp
Piping and Flow\EjectorRating.vmp
General
The purpose of an ejector is to transport a process fluid (usually vapour but can be a liquid) from a low pressure
and discharge it at a higher pressure using a motive fluid. The motive fluid is usually steam but can be a liquid or
compressed gas. The discharge material port is composed of the combined process and motive material ports
and is at a pressure in between that of the motive and process streams. The VMGSim Ejector unit operation will
calculate the nozzle and throat diameters for a given overall ejector efficiency, set of motive and process stream
conditions as well as two intensive properties in the discharge stream. The ejector unit operation can also be
used to predict unknown stream conditions in an ejector with a known size and partially defined inlet and/or out-
let ports
This is a schematic representation of the ejector model being used,
The design equations used in the model are from Bird et.al, 2002 without the ideal gas assumption and are sum-
marized below,
Mass Balance:
Momentum Balance:
Energy Balance:
where,
the sub index 1, 2 and 3 are for the motive (nozzle), process and discharge (throat) flows respectively
w = mass flow
v = velocity
p = pressure
S = cross sectional surface area
H = enthalpy
eta = efficiency
Reference:
Bird, Stewart, Lightfoot, Transport Pehnomena 2nd edition, Wiley, 2002
By clicking the Schematic / Connection Node you can view a schematic diagram and connections of the
Ejector.
Summary (Tab)
Main Data
Nozzle Diameter
Calculated or input ejector nozzle diameter.
Throat Diameter
Calculated or input ejector throat diameter
Efficiency
The overall ejector efficiency entered as a percent by default.
Material
Discharge
The ejector discharge, which is the combined flow of the motive and process streams. Process conditions of the
discharge can be added directly or a connection can be made to another port.
Motive
The motive fluid stream that causes the process stream to flow. Process conditions of the motive stream can be
added directly or a connection can be made to another port.
Process
The process fluid to be pumped by the ejector. Process conditions of the process stream can be added directly
or a connection can be made to another port.
Settings (Tab)
Numerical Settings
MaxNumIterations
Maximum number of solver iterations allowed for the ejector to converge. The default is 100.
Damping Factor
The damping factor affects the step size taken by the algorithm when updating values from iteration to iteration.
A damping factor lower than one results in smaller step changes in the iteration variables than the ones
obtained from the numerical algorithm. The default value is 1.0 (no damping).
MaxError
This is the accepted tolerance for a converged solution. MaxError is defined as the largest scaled “error” of the
set of equations being solved. Where “error” is related to “how far” the equations are from a converged solution.
Solution Method
Pull down menu that allows the user to select the numerical method used to solve the Ejector. The default is the
NewtonRaphson method, the Secant and Broyden methods are also available.
TrytoRestart
Boolean parameter. If set to True, the solver uses the last iteration values (converged or not) as the initial val-
ues for finding a solution. This parameter overwrites TryLastConverged. This parameter is useful when it is
thought that an Ejector only needed few more iterations in order to obtain a solution. The default is False.
TryLastConverged
Boolean parameter. If set to True the solver attempts to use the last converged solution as the initial values for
finding a new solution. Note that TryLastConverged still checks if the initialization algorithm provides better ini-
tial values than the last converged solution. It is also important to point out that the Ejector will still remember the
last converged solution even if it becomes unconverged. The default is True.
Minimize Error
An iterative solution is based on updating a set of variables. These variables are then used to solve the set of
equations which result in an “error”. If the maximum value of these “errors” is lower than a tolerance then the
equations are assumed to be converged. MinimizeError is a Boolean parameter that, when set to True,
attempts to always reduce the maximum error from iteration to iteration (i.e. it does not allow the solution to
diverge). If set to False, then it blindly takes the values from the numerical algorithm from iteration to iteration.
The default value is True.
Equilibrium Results
Ejector Example
Design Example
The following example illustrates how the Ejector unit operation is used to determine the nozzle and throat dia-
meters of an ejector in a system with defined motive and process streams and a set discharge temperature and
pressure. The process stream is similar to the overhead product vent of a vacuum tower and the motive fluid
used is steam.
Start a VMGSim project and using the Advanced_Peng_Robinson property package add the following com-
ponents: ethane, propane, water, n-undecane and nitrogen. Switch the unit set to Field. Specify 2 streams as
shown in the following table.
Name Motive Process

Mass Flow (lb/hr) 10000 2750
Ethane mole fraction 0 0.61
Propane mole fraction 0 0.22
Water mole fraction 1 0.14
n-Undecane mole fraction 0 0.02
Nitrogen mole fraction 0 0.01
Add an Ejector unit operation and connect the Motive and Process streams to their respective material ports.
Enter a temperature of 200 °F and a pressure of 0.5 psia in the Discharge port. The Ejector should solve and
the nozzle and throat diameters should be 0.23’ and 1.34’ respectively. A screen shot of the solved Ejector form
is shown below.
Rating Example
In the previous example the nozzle and throat diameters of an ejector were determined for an ejector system
with defined inlet stream conditions and a set discharge temperature and pressure. The following example illus-
trates how the ejector unit operation is used to determine missing process conditions for an ejector with a set
nozzle and throat diameter.
Start a VMGSim project and using the Advanced_Peng_Robinson property package add the following com-
ponents: ethane, propane, water, n-undecane and nitrogen. Set the unit set to Field. Specify 2 streams as
shown in the following table.
Name Motive Process

Ethane mole fraction 0 0.61
Propane mole fraction 0 0.22

n-Undecane mole fraction 0 0.02
Nitrogen mole fraction 0 0.01
Add an Ejector unit operation and connect the Motive and Process streams to their respective material ports.
Enter a nozzle diameter of 0.3’ and a throat diameter of 1.25’. The Ejector unit operation should solve and the
discharge should have a temperature of 205.3 °F and a pressure of 0.98 psia. A screen shot of the solved
ejector unit operation form is shown below.
Electric Motor
Electric Motor Dynamics
Electric Motor Dynamics
Main Flow sheet
PFD Stencil
General
Modeling an electric motor driver in addition to other rotating equipment allows more accurate modeling of
dynamic transients, particularly during startup and shutdown.
Summary (Tab)
Design
Design Speed
The design speed for the motor. This is used in conjunction with torque or amperage curves, which are
expressed as percent of design speed.
Full Load Torque

Torque curves are expressed as percentage of full load torque.
Full Load Amperage

Amperage curves are expressed as percentage of full load amperage
Switch
Motor switch. When off the power produced by the motor will be zero.
Performance
Speed
The motor speed
Torque
The torque produced by the motor
Shaft Power Out

Work transferred through shaft to downstream equipment
Electrical Performance
Efficiency
The percentage of electrical power converted to mechanical power
Electrical Power
The electrical power consumed
Amperage
The current consumed by the motor.
Voltage
The operating voltage of the motor.
Curves (Tab)
Torque Curve / Use Torque Curve

Entering a torque curve allows prediction of the motor performance as a function of speed. Manufacturers typ-
ically either provide a torque curve, or refer to the NEMA class for the motor. Each NEMA class has a char-
acteristic torque curve.
By default, Use Torque Curve is enabled, and a typical NEMA B curve is supplied.
Amperage Curve / Use Amperage Curve

The amperage curve is not required to predict motor performance. However, if it is supplied, it can be used to
calculate the motor amperage during any transient conditions such as startup or overload.
Plot (Tab)
The Plot Tab allows the torque curve for a given speed to be viewed .
Plot Window
Plot control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Shaft (Tab)
A motor can be simulated either at fixed or variable speed. Also, one can link multiple rotating equipment on the
same shaft. Typically, in these cases, one will also specify the rotational inertia, so that the speed dynamics can
be modeled.
Inertia
Inertial Mass
Radius Of Gyration
Inertia
Upstream Unit Op
The equipment connected to the shaft on the input side (corresponds to Shaft Power In)
Gearbox Ratio
Shaft Power In
Work transferred through shaft from upstream equipment
Power
The mechanical power produced by the motor
Shaft Power Out

Work transferred through shaft to downstream equipment
Mechanical Loss
Can be specified, or can be calculated from frictional torque.
Friction


Energy Stream
Energy Stream
Main Flow sheet
PFD Stencil
Examples Streams\EnergyStream.vmp
General
An Energy Stream provides a path for energy to be transferred between unit operations. It allows a means for
data to be propagated from one energy port to another, without being altered.
Summary Tab
Shows the inlet and outlet port of the Energy Stream.
Connection
These cells show where the energy stream is connected to and allows the connection to be specified by the
user.
Value
The value in the In and Out and ports of the Energy Stream.

Either clone an In or Out energy port or create a signal port. Only an energy signal port can be created.

Delete a previously cloned or created port from the energy stream. There must be a cloned or created port to
have any options available with this button.
Exclude From Summary

This check box allows the energy stream to be included or not in the ‘Energy Stream Summary’.
Energy Stream Example

In this example we will model a cooler and a heater as a heat exchanger using an energy stream.
propane, and n-butane. Switch the unit set to Field. Create the stream below.
Connect a cooler to S1. Specify the pressure drop across the cooler to be 5psi and the output temperature to
be 150F.
Now create S2 and connect it to a heater.
Now specify the pressure drop across the heater to be 5psi.
In a heat exchanger, the heat is transferred from the shell to the tube. If the cooler is considered to be the tube
and the heater the shell, an energy stream must connect the two, so that the energy transferred between the
two is the same.
The heater is now solved.
To now see that the same results are provided with the heat exchanger, clone the Out energy ports of S1 and
S2. Press the ‘Create Port’ button in each stream and select the Out port to be cloned.
Now create the heat exchanger. Connect the cloned Out port from S1 to the In port of the tube and the cloned
Out port from S2 to the In port of the shell.
As for the heater and cooler, each side will have a 5psi pressure drop. Also, the outlet temperature of the tube
will be set to 150F.
Note that the outlet of the tube solves to be the same as that of the cooler, and the outlet of the shell solves to be
the same as that of the heater.
If we wish to display on the PFD how much energy is transferred between the heat and the cooler, this can be
done using a datasheet. To do this, right click on the energy stream and click on ‘Show DataSheet’.
The datasheet configuration form will be opened.
The default selections will work for our purposes. However, if the name of the energy port being shown, or the
format of the number being displayed, wished to be changed, it could be done here.
Pressing ‘OK’, the datasheet is created and added to the PFD, showing how much energy is transferred
through the stream Q1.
Items can also be added to the PFD datasheets via the right click menu from variables. Open the Q1 form and
from any variable, right click and select "Add to PFD Datasheet".
The variable will be added to the datasheet.
This example can be found in the Manual Examples folder as EnergyStreams.vmp
Envelope
Envelope
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Information Operations\envelope.vmp

Flowsheet Tools\Information Operations\Envelope 3 Phase.vmp
General
The phase envelope is a powerful utility designed to calculate two and multi phase PT envelopes of mixtures
usually found in natural gas processing. In addition, the PT envelope unit operation provides you with signal
ports that allow you to use calculated cricondenbar, cricondentherm, critical pressure or critical temperatures in
the flow sheet.
Envelope mode
The Envelope Mode is used to switch between the Two Phase and Multi Phase modes. Note that the Mul-
tiphase mode is not available when the legacy option is enabled.
Envelope Dry Basis

Use this toggle to select calculations in dry basis. The following components are removed from the calculations
and the composition will be renormalized:
1. Water
2. Ethylene Glycol
3. Diethylene Glycol
4. Triethylene Glycol
5. Mercury
6. Any solids present.
Hydrate
Use this toggle to place the hydrate line (if applicable) over the envelope.
Hydrate Saturate
If water is a component in the case, will run the hydrate calculations using the inlet composition saturated at
feed temperature and pressure with water. This option is only shown when Hydrate option is active.
Wax
Use this toggle to place the wax line (if n-Paraffins with Carbon number >= 8 are present in the feed) over the
envelope.
Summary (Tab)
Main Data
Cricondenbar_P
The cricondenbar pressure of the mixture.
Cricondenbar_T
The cricondenbar temperature of the mixture.
Cricondentherm_P
The cricondentherm pressure of the mixture.
Cricondentherm_T
The cricondentherm temperature of the mixture.
Crit_P
The critical pressure of the mixture.
Crit_T
The critical temperature of the mixture.
Starting_P
First pressure value that is used in the creation of the envelope. The default value is 72.52 psia (500 kPa).
Material
Shows the connected objects and the In_Material and Out_Material port (inlet and outlet) information.
Line Settings
Parameters that control the configuration of the envelope.
MaxNumPoints
The maximum number of points that will be included in the phase envelope.
Pressures
A default set of pressures used to generate the envelope that can be added to and/or modified. Type over an
existing pressure value or type a new pressure value into the <New> box to add an additional pressure. Pres-
sure points can be removed by highlighting the desired cell and pressing the delete key.
Quality Curves
The quality (vapor mole fractions ranging from 0 to 1) curves that a given envelope will generate. Type over an
existing quality value or type a new quality value into the <New> box to add an additional quality values. Points
can be removed by highlighting the desired cell and pressing the delete key.
To modify the control parameters Click on Add/Edit… and the following dialog box will appear.
Profiles
Shows the profiles for the current selection
Diagram
Selection of diagram to display
Curve
Selection of Specific Curve to display
Plot
Shows the plot for the current selection.
Diagram
Selection of diagram to display
Feed Point
Toggle to show/hide the current point of the material port
Diagram Points
Toggle to show/hide the special points of the envelope. The points include: critical point, Cricondenbar and
Cricondentherm.
Starting P and Starting T

These settings are used to set the initial point that the envelope will use to initialize the algorithm.
Slice Plot
The slice plot is available when the Envelope mode is multiphase and the diagram displayed in the Envelope
Plot section is PT Diagram.
This plot displays at a constant pressure or at constant temperature the behavior of the phases with changes in
the other variable ( T or P). The slice plot can display the phase fraction of each phase, the composition of a
selected component in the different phases and the value of different physical properties such as viscosity in
each of the phases.
Type
Indicates whether the slice plot will use a fixed temperature or a fixed pressure. The x variable of the plot will be
Temperature for the type Fixed P and Pressure for the type Fixed T
Fixed T
Sets the fixed temperature that will be used to slice the PT Envelope. Note that the temperature can be set by
clicking on the PT Envelope. The temperature that corresponds to the point where the plot is clicked will be
used to set the Fixed T.
Fixed P
Sets the fixed pressure that will be used to slice the PT Envelope. Note that the pressure can be set by clicking
on the PT Envelope. The pressure that corresponds to the point where the plot is clicked will be used to set the
fixed P.
Plot View
Set the slice plot view. The Slice Plot can show Phase Fractions, Specific Component Fraction in the phases,
Specific properties per phase.
Settings
Max Num Points

The maximum number of points that will be included in the phase envelope.
Starting P and Starting T

These settings are used to initialize the envelope algorithm.
Maximum Pressure
Maximum pressure to be used to calculate envelope.
Hydrate Points
Max Number of Points for the Hydrate Curve
Hydrate Specify Max P

Toggle to enable the Hydrate Max P to be specified
Hydrate Max P
Maximum pressure to be used for the Hydrate Curve
Hydrate Min P
Minimum pressure to be used for the Hydrate Curve
Hydrate Max T
Maximum temperature to be used for the Hydrate Curve
Hydrate Min T
Minimum temperature to be used for the Hydrate Curve
Hydrate Calc Mode

Toggle whether the temperatures are set and the pressures are calculated (Calculate P) or the pressures are
set and the temperatures are calculated (Calculate T)
Wax Points
Max Number of Points for the Wax Curve
Wax Phase Frac Criterion

Molar fraction at which the wax phase appears in the mixture
Wax Specify Max P

Toggle to enable the Wax Max P to be specified
Wax Max P
Maximum pressure to be used for the Wax Curve
Wax Min P
Minimum pressure to be used for the Wax Curve
Envelope Mode
The Envelope Mode is used to switch between the Two Phase and Multi Phase modes. Note that the Mul-
tiphase mode is not available when the legacy option is enabled.
Legacy Mode
Indicates the use of the algorithm used in versions 10.0 and older.
Envelope Example
In the following example, envelopes will be generated for two inlet gas streams. The streams will then be blen-
ded to obtain the critical temperature of the resulting stream.
Start a new VMGSim project, select the Advanced_Peng_Robinson property package and add the following
compounds: Methane, Ethane, Propane, isoButane, n-Butane, isoPentane, n-Pentane, n-Hexane, n-Heptane,
n-Octane and Water. Switch the unit set to Field. Then create two material streams S1 and S2 with the fol-
lowing specifications.
S1 S2
Pressure (psia) 1000 1000
Methane mole fraction 0.9487 0.91652
Ethane mole fraction 0.03995 0.05913
Propane mole fraction 0.00999 0.01971
IsoButane mole fraction 0.001 0.00099
n-Butane mole fraction 0.0003 0.00296
IsoPentane mole fraction 0.00005 0.0002
n-Pentane mole fraction 0.00001 0.00039
n-Hexane mole fraction 0 0.00003
n-Heptane mole fraction 0 0.00004
n-Octane mole fraction 0 0.00003
Water mole fraction 0 0
Now create an Envelope unit operation and attach S1 to it. The envelope will be calculated and will appear
shown below.
Note that the cricondenbar pressure and temperature, the cricondentherm pressure and temperature and the
critical point pressure and temperature are calculated and available in the signal ports.
Click on the Plot tab. By default you will see the PT envelope as shown below.
Click the Hydrate and Hydrate Saturate check box to shove the hydrate formation curve on the plot.
Click the Profiles tab to view the data points used to make up the envelope. Note that all points on the plot will
appear in the Table. To remove the hydrate data point click on the hydrate check box.
Select the Lines Settings tab and press the Add/Edit button to change the controls for the envelope operation.
We will adjust the settings to have the envelope calculate values at pressures of 60, 100, 150 and 200 psia and
to calculate two additional envelops at 0.5 and 0.3 quality.
Add the 60 psia pressure point by typing 60 in the <New> cell under pressures and press enter, repeat this pro-
cess for the other pressure points. Add the 0.3 and 0.5 quality curves.
Click on the Plot Tab
Select q3 from the Curves pull down menu.
The plot should appear as follows.
Now create another phase envelope and attach it to S2. View the phase envelope corresponding to S2.
Now connect the two outlets of the two envelopes to a mixer and connect the outlet of the mixer to a new envel-
ope. The arrangement is shown below.
Notice that Env3 is not solved; this is because a flow rate was not specified for S2 so a material balance cannot
be done over the mixer. The flow rate of S2 will be determine by a Controller unit operation which will set the S2
flow rate so that the critical temperature of the S1/S2 mixture is -90 °F. Create a Controller unit operation.
Select the Critical Temperature port of the Env3 unit operation for the PV cell.
Now connect the OP to material stream S2 by selecting <New> from the connected object pull down under the
Manipulated variable.
Use the form that appears to configure the connected object to be the mole flow of S2. Click OK.
Set a step size of 100 lbmol/h and a target critical temperature of -90 °F.
Finally, type an initial guess for the mole flow of S2 in the (OP/ManVal) cell. In this case, estimate it to be 250
lbmole/hr. The converged results are shown below.
The final arrangement is shown in the figure below.
The phase envelope can be seen in the figure below.
Excel Unit Op
Introduction to the Excel Unit Operation
Excel Unit Operation
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Logical\ExcelUnitOp.vmp
General
Excel Unit Operations are a powerful addition to the other unit operations available in VMGSim. In order to use
Excel unit operations you will have to have Microsoft Excel installed in your computer. More information about
Microsoft Excel can be found at http://www.microsoft.com/office/excel/default.asp.
Excel Unit Operations provide you with the convenience of using a professional spreadsheet directly inside
VMGSim. In addition, since you are working directly inside Microsoft Excel you have full access to Visual Basic
for Applications (VBA) without the need of writing a single line of automation code. If you are used to pro-
gramming spreadsheets using complex cell formulas and macros you can be immediately productive using
Excel unit operations.
Excel Security Settings

In order to use Excel unit operations you will have to have Microsoft Excel version 97 or later installed in your
computer with security settings which enables running macros. More specifically, your Excel security setting
has to be either low or medium with Marcos being enabled when prompted. Failure to do so will cause the
Excel unit operation to not function properly.
For Excel 97, you can set the security setting by clicking Tools -> Options -> General, then uncheck “Macro
Virus Protection” as shown below:
For Excel 2000 or later, you may click Tools -> Macros -> Security Level. A dialog box is popped up. Make sure
you set the security level to Low or Medium, and also make sure to check the “Trusted sources” on the trusted
sources page.
Creating an ExcelUnitOp
You can create an Excel unit operation by one of the following ways:
1. In the unit operation tree view window, right click the item “ExcelUnitOps” and then click “Add ExcelUn-
itOp”.
2. In PFD window, drag the Excel Unit Op icon from the stencil and drop it onto the main drawing window.
3. From the CLI window, enter the command as below: /XL1=ComUnitOp.COMUnitOperation( ,VMGS-
preadsheetOp.ExcelUnitOp)
When an ExcelUnitOp is created, the following form will appear:
Soon after the form above appears the following two dialog boxes will pop up if Excel security level has been set
to medium.
The above dialog boxes come directly from Excel and are used as a precaution against macro viruses. Click the
Enable Macros button for both dialog boxes to finish creating the ExcelUnitOp, the form in VMGSim will appear
as below.
Note that you may have to consult with your IT department for clarifications on their policy about running mac-
ros.
The Excel unit operation is created and Excel spreadsheets appears as shown below.
Note that you can have as many Excel unit operations as you wish in a VMGSim project.
Excel Worksheets
By default there will be 3 worksheets added to the Excel case that opens when an ExcelUnitOp is created, it is
required that these three sheets remain in the workbook but additional unitop works sheets can be added.
Instructions
Contains a set of instructions for the use of the ExcelUnitOp. This worksheet is protected and should not be
modified or removed.
Connections
The Connections worksheet contains a list of all of the imported and exported values between VMGSim and
Excel. This worksheet is protected and should not be modified or removed.
Refresh Connections
Click the Refresh Connections button to update the Connections worksheet and display the latest import/export
values.
unitop
The default worksheet where equations are performed and where values are imported/exported to VMGSim.
The name of the unitop worksheet can be changed and additional worksheets can be added and used to per-
form calculations and import and export values to VMGSim.
Note that the ExcelUnitOp requires at least one worksheet equivalent to unitop in order to function and that any
worksheets that imports or exports values between VMGSim CAN NOT be protected.
Importing/Exporting Values
Values that are imported or exported between VMGSim and Excel are linked such that any change in VMGSim
or Excel will immediately be seen in the other program. The imported and exported values and any equations
involving them in the Excel worksheet will be treated as though they were any other VMGSim Unit operation.
The VMGSim ExcelUnitOp is able to tell the difference between specified (the exported cell contains a value not
an equation) and calculated (the exported cell contains an equation) values exported from Excel.
Energy ports in operations such as heaters and coolers can not be directly imported into the Excel Unit Oper-
ation. If you need to have access to energy flows just attach an energy stream to the energy port and access the
energy flow via the energy stream.
Please note that in order to import and export values to a worksheet it must not be protected.
There are two methods available to import and export values between VMGSim and Excel. The difference
between the 2 methods is the way the connections are configured, but both will result in an identical connection.
The two methods are the Copy/Paste Connections method and the Import/Export Object method, both of
which will be described in further detail below.
Copy and Paste Connections

The Copy/Paste Connection method of Importing/Exporting values requires that the user switch between
VMGSim and the unitop worksheet (or equivalent) in Excel to make a connection.
From VMGSim to Excel

1. Select the value in VMGSim to be imported into Excel, by clicking on it.
2. Right Click and select Copy Connection.
3. Move to the desired Excel worksheet by clicking the Show SpreadSheet button on the appropriate
ExcelUnitOp form and then navigating to the appropriate worksheet.
4. Select the cell where the VMGSim value is to be imported. Right Click and then select Paste Con-
nection.
5. The value should now be imported to Excel from VMGSim.
From Excel to VMGSim

2. Select the cell with the value to be exported from Excel into VMGSim, by clicking on it.
3. Right Click and select Copy Connection.
4. Select the cell where the Excel value is to be exported to in VMGSim. Right Click and then select Paste
Connection.
5. The value should now be exported from Excel to VMGSim.
Note: The P signal port is added to the stream, you can see the connection by clicking in the expander button in
the connection column.
Import / Export Object…

The Import/Export allows the user to import and export values to/from Excel directly from the Excel worksheet
(other than the automatic redirection to and from VMGSim to select the values).
Import Object
Move to the desired Excel worksheet by clicking the Show SpreadSheet button on the appropriate ExcelUnitOp
form and then navigating to the appropriate worksheet.
Select the cell where the VMGSim value is to be imported, Right Click and then select Import/Export Object.
The following Object Browser will appear in the VMGSim environment. Select the value to be imported and
then click the Import button.
Once the Import button is clicked you will be returned to Excel with the value imported from VMGSim.
Export Object
Move to the desired Excel worksheet by clicking the Show SpreadSheet button on the appropriate ExcelUnitOp
form and then navigating to the appropriate worksheet.
Select the cell whose value is to be exported to VMGSim, Right Click and then select Import/Export Object.
The following Object Browser will appear in the VMGSim environment, select where the value is to be exported
and then click the Export button.
Once the Export button is clicked, you will be returned to Excel with the desired value Exported to VMGSim.
Deleting Import/Export Connections

Connections can be deleted by right clicking on the desired connected cell and selecting Disconnect Import/Ex-
port Object
The connection can also be deleted by simply selecting the desired cell and press the Delete key. You will see
the dialog below.
Click yes and the connection will be deleted.
Note that the just deleted connection appears with a #NULL! value. Imagine a typical situation where some val-
ues are imported. Then those imported values are used in some complicated formulas to generate a value that
is exported to some unit-op or stream in VMGSim. Remember that VMGSim is live. Now, disconnect an import
on which some of the export calculations depend. If the cell is left blank then Excel will calculate all formulas
assuming that value is zero. In Excel a blank cell equal a zero value. Based on this zero (blank) value you will
probably calculate an incorrect or un-physical value for some of the exports and eventually invalidate the sim-
ulation. Also a NULL value in the cell helps you to realize that you have other cells that are dependent on this
cell. The Excel unit-op is smart in that when it comes across an exported value that is an error in Excel (not a
number) it pushes a None value into VMGSim which can handle a non existent value correctly.
Import / Export Connection Units

A value will be Imported or Exported in the same units set as the VMGSim Unit set at the time of importing or
exporting. These units will remain unchanged until the user changes them in the Excel Worksheet regardless of
changes in the VMGSim unit set.
VMGSim’s ExcelUnitOp provides a convenient way to convert units between the standard unit set used by the
VMGSim project and units that may be more convenient for calculations inside Excel.
Changing units of an imported value

In order to change the units set of an imported value select the cell in the ExcelUnitOp containing the imported
value.
Right click and select Set Unit.
A Set Units for Export dialog will pop up. Use the drop down menus to select the desired unit set.
Click OK. Note that the cell now shows the desired unit.
Changing units of an exported value

In order to change the units set of an exported value select the cell in the ExcelUnitOp containing the exported
value.
Right click and select Set Units.
A Set Units for Export dialog will pop up. Use the drop down menus to select the desired unit set.
Click OK. Note that the cell now shows the desired unit.
The value will now be exported to S2 as 250 psia instead of 250 kPa even though VMGSim may be using a dif-
ferent unit set.
Show Object Data

Show Object Data allows groups of information relating to material streams or unit operation to be displayed in
the ExcelUnitOp. The Show Object Data connection is not the same as import/export connection and it is recom-
mended to be used only to display information in the ExcelUnitOp and not be included in the calculation of val-
ues to be exported back to VMGSim.
Using Show Object Data

2. Select the cell where the VMGSim values are to be imported, Right Click and then select Show Object
Data. Information will be added to the right of and below the selected cell so be sure to leave enough
room to the right of and below the cell.
3. Once Show Object Data is clicked you will be returned to the VMGSim environment and the Get Object
Path form will be active.
4. The Get Object Path form acts as a navigation tool which allows the desired object or objects to be selec-
ted and shown in Excel. For example in the form above the selected object is the main flowsheet and click-
ing the OK button would show object data for all of the unit operations and streams. To refine the data
shown in Excel keep clicking on the desired object in the list until the desired configuration is selected.
The following figures show the configurations options for a material stream.
Clicking OK with this configuration would show all the available object data for the In and Out material ports for
the S2 material stream.
Clicking OK with this configuration would show the listed object data for the In material port for the S2 material
stream.
Clicking OK with this configuration would show the enthalpy for the In material port for the S2 material stream.
5. Once the desired Object path has been chosen you will be brought back to the Excel worksheet and the
object data will be connected. Show Object Data will be displayed. A tool tip detailing the object data that
was shown. Be sure to leave enough room to the right and below the Cell where the Show Object Data
command is placed to avoid overwriting existing data.
Updating Show Object Data

The Show Object Data may not always be updated when changes in simulation occur, right click on the desired
Excel Work sheet and select Update All Object Data in order the update all the occurrences of the show object
data.
Deleting Show Object Data

To remove a Show Object Data connection select the cell with the tool tip describing the data shown and press
the Delete button. This deletes only the Show Object Data connection and some residual information from the
Show object data may remain, this can be cleared simply by highlighting the desired cell and pressing Delete.
Show Object Data Units

The units of the Shown Object Data will be the same as the current VMGSim unit set. For example if a Show
Object Data was added to the ExcelUnitOp when the VMGSim unit set was in SI all the data will appear in Excel
in SI. If the VMGSim Unit set was switched to Field the Show Object Data would appear in field units.
Excel Unit Op Example

In this example we will create an ExcelUnitOp to calculate the mass flow measurement provided by a Pitot tube.
This unit operation will determine the flow of a vapor stream feeding a condenser using the pressure difference
measured by a Pitot tube and the inner diameter of the pipe feeding the condenser. The basic working equation
for a Pitot tube is shown below.
Vo is the velocity of the fluid at the tip of the Pitot Tube, C is a calibration constant, in this case assumed to be
0.95, is the pressure differential read by a manometer connected to the Pitot tube, and is the density of
the fluid at the tip of the Pitot tube. In this case, we know the composition of the fluid as well as the fact that it is a
saturated vapor coming from the first tray of an industrial ethanol production tower, as well as the read at
the plant. Our task is to calculate the necessary amount of cooling water to cool this vapor from the dew point to
the bubble point. We also know that the internal diameter of the vapor pipe is 0.3 m.
Start a new VMGSim Case and use the recommended property package with the NRTL property package
selected and add Ethanol and Water as components. Define a material stream as described below.
Note that the thermodynamic state of the material stream is defined, but the flow rate is not known. Add an
ExcelUnitOp to the flowsheet, click the enable macro button on any dialog boxes that popup. The ExcelUnitOp
will appear as follows.
Click the Show Spreadsheet button to show the Excel spreadsheet. It will appear similar to the worksheet
below.
The Instructions worksheet contains instructions for working with the ExcelUnitOp. The Connections work-
sheet contains the necessary connections between Excel and other VMGSim unit operations. This worksheet
is protected and you should not modify its contents manually. Finally, the UnitOp worksheet is your work area
for the definition of your unit operation.
Your work area can be multiple worksheets and you can create new worksheets as your work area.
Lets start by defining our work area as suggested below.
There are two ways of connecting the Excel unit operation with VMGSim. First we will connect the Molecular
Weight of S1 to the cell B3 using Copy/Paste Connection.
Click on the Properties node in S1, select the MolecularWeight cell and right click on it. You will see the fol-
lowing pop up menu.
Select Copy Connection.

Now select the Excel unit operation and go to the B3 cell. Right click on the B3 cell and the following pop up dia-
log will appear.
Select Paste Connection by clicking it or by pressing Ctrl+Shift+V.

Note that the molecular weight of material stream S1 is now connected to Excel’s B3 cell. This is a live con-
nection and any changes happening in the VMGSim project will be automatically reflected on cell B3.
A useful feature of VMGSim’s Excel unit operation is the use of tool tips to identify the connection between
VMGSim and Excel. Just place the mouse pointer over the B3 cell and the following tool tip will appear.
We will now connect the B4 cell to S1’s mass density in a different way using the Object Inspector.
Right click on the cell B4 and select Import / Export object.
The Object inspection form will appear as shown below.
Select Mass Density and press the Import button
The mass density is now connected to cell B4.
Now specify the constant values as below.
The velocity of the fluid can be calculated using the Pitot tube formula, . Note the 1000 factor to
convert the pressure from kPa to N/m2.
Next we assume that the flow is completely developed and the volumetric flow can be calculated by multiplying
the velocity by the pipe area.

The mass flow in kg/s can now be calculated by multiplying the volumetric flow by the mass density.
And finally the mole flow in kmol/h can be calculated using the mass flow and the molecular weight.
Now the mole flow is going to be exported back to S1. Right click on the cell B14. Select copy connection.
Now go to material stream S1 and right click on the MoleFlow cell. Finally select Paste Connection.
Note that the stream is now completely specified.
Now we have created an Excel unit operation with some connections. Click on the Connections page we can
inspect the information all the import/export connections.
The worksheet correctly shows two imports and one export. In the case that this page doesn't show the correct
information, you can press "Refresh Connections" button to refresh this page.
Create a material stream (S2) and specify it’s vapor fraction to be 0. Now complete the problem by creating a
cooler with a pressure drop of 20 kPa and connect it’s In material port to S1 and it’s Out material port to S2 as
shown below. The solved cooler and condenser duty are shown below in the figure below.
Note that if the pressure of stream S1 changes the flow of S1 will now change as shown below.
Naturally, if values on the Excel unit operation are changed, a new flow will also be calculated. Assume that the
calibration factor was recalculated to be 0.98. The flow will be immediately recalculated as shown below.
The flow rate can also have been specified as a mass flow rate. To change this, the molar flow rate must be
disconnected. Go to the spreadsheet and right click on the connected molar flow rate cell. Press Disconnect
Import/Export Object.
Returning to VMGSim, it can be seen that the flow rate is no longer connected to S1, and the stream is no
longer solved.
The formula for molar flow rate can now be removed from the spreadsheet. Also, the molecular weight can be
disconnected, as it is no longer needed. Notice how when disconnected imported cells return a value of
‘#NULL!’.
Now connect the mass flow value to S1 by right clicking on the mass flow cell and selecting ‘Copy Connection’.
Then chose to paste the connection in the mass flow cell in S1.
Notice that the value of the flow rate is much less than the previous value when the molar flow rate was used.
This is because the mass flow is in kg/s in Excel, but in kg/h in S1. Therefore, the units must be converted. This
can be changed by editing the formula for mass rate, or by specifying the units of the flow rate. To do this, right
click on B13 and select ‘Set Units’.
Set the unit type as ‘MassFlow’ and the unit as ‘kg/s’.
By moving over the mass flow cell you can see that the unit has been changed to kg/s.
Returning to S1, the mass flow rate has now been adjusted to be in kg/h, giving the same results as when the
molar flow was used.
Another way to obtain information in Excel is by using ‘Show Object Data’. If it was desired to create a phase
envelope for S2 that can be used in Excel, ‘Show Object Data’ can be used to do this.
First, create a phase envelope and attach it to S2. Since only water and ethanol are present, the dry basis must
be turned off.
Now, to important the phase envelope profile, go to the Excel spreadsheet and right click on an empty cell.
Select ‘Show Object Data’.
This will bring up the following form in VMGSim.
To get the phase envelope profile, select ‘Env1’, then ‘Profile’ and select ‘OK’.
This will import the phase envelope’s data profile into Excel. This information can be gathered into a plot.
This plot can be edited as desired.
‘Show Object Data’ does not update until the case is fully solved. However, once the case is solved, it will be
updated.
To see this, change the composition in S1 to be equimolar. The change can be seen in the plot in Excel.
Expander
Expander
Main Flow sheet
PFD Stencil
Examples Rotating Equipment\Expander.vmp
General
The Expander unit operation models real expander behavior by allowing either a fixed adiabatic or polytropic
efficiency to be set, or by using a set of user defined performance curves.
The reciprocating model rates the performance of a real expander based on the geometry of the expander and
a combination of energy, pressure, and/or efficiency data.
Expander.
Summary(Tab)
Design
Machine Type
Select Generic or Reciprocating model. The reciprocating expander model simulates performance based on
reciprocating expander geometry.
Main Data
The Main Data frame will contain the following information that is either specified or calculated.
OutQ
The net power available from the expander.
Delta P
The pressure drop over the expander.
Pressure Ratio
The adiabatic efficiency of the expander. The ratio of the actual work extracted to the work available from isen-
tropic expansion.
The polytropic efficiency of the expander. Available when the Generic model is selected.
Volumetric Efficiency
The volumetric efficiency of the expander. The ratio of the actual volume flow of the fluid to the theoretical
volume flow based on the piston displacement rate. Available when the Reciprocating model is selected.
Speed
The rotational speed of the expander.
Adiabatic Head
The adiabatic head. The ideal (isentropic) pumping work per unit mass of fluid. Normally expressed as (ft-lbf)/lb
(ft) or (m-kgf)/kg (m). Available when the Generic model is selected.
Polytropic Head
The polytropic head. Available when the Generic model is selected.
Advanced
The Advanced frame is available when the Generic model is selected. It can be opened by clicking on the node
and contains the following additional information.
Adiabatic Exponent
The adiabatic exponent value.
Polytropic Exponent
The polytropic exponent value.

The polytropic head factor value.
Reciprocating Data
The Reciprocating Data frame is available when the Reciprocating model is selected. Expander geometry must
be fully specified.
Cylinder Bore
Cylinder Stroke
Displacement
Cylinder Clearance
Design Speed
Unloader Clearance
Stroke Efficiency
Material
nected Stream/UnitOp displays the streams or units attached to the inlet and outlet of the expander.
Curves(Tab)
Expander curves characterize the expander performance (head vs. flow and efficiency vs. flow) at different
speeds.
User defined expander performance curves are managed here, as shown below. This tab is only available
when the Generic expander Machine Type is selected.
Settings
Flow Basis
Calc Type
tropic.
Use Flow Curves


Use Power Curves

Checkbox that enables the use of power performance curves.
Curves
speed.
Add
Delete
Speed
The expander's rotational speed during the collection of performance data.
Edit
modifying the data.
Plot(Tab)
The Plot tab allows the performance curve for a speed selected from the Curves tab to be viewed, as shown
below.
Plot Window
to create a zoom window of the desired section. Press the Esc key to unzoom. The size of the plot window can
Plot control
Check Boxes
Allows the user to toggle several basic plot window configuration items. For example, the user can switch
between a Black & White or Color plot or switch the y-axis between a linear or logarithmic scale.
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Expander Example
In this example will use the Expander unit operation to expand a gas stream.
Start a new VMGSim case and select the Advanced_Peng_Robinson property package with Carbon Dioxide,
Nitrogen, Methane, Ethane and Propane as components. Switch the unit set to Field. Create two material
streams Gas In and Gas Out and define Gas In as defined below.
Create an Expander unit operation. Connect Gas In to the In Material port and Gas Out to the Out Material Port.
Create and energy stream ExpanderQ by typing the name into the connected object cell of the OutQ signal port,
and specify the adiabatic efficiency to be 0.8 (80%). The Expander should appear as below.
Specify a pressure of 330 psia in the Gas Out stream to provide enough information for the Expander to solve.
Once solved the Expander will appear as below.
Expander Dynamics
Expander - Dynamics
Main Flow sheet
PFD Stencil
General
Currently, three different expander models are supported - Radial/Axial, Radial Des. Pt, and Reciprocating.
Each is described in a separate section. The Radial Des. Pt model is probably the best selection for modeling
Radial machines.
Expanders require three specifications to determine performance. For Radial/Axial machines, recommended
specifications are speed or torque, and Use Simple Curve (which counts for two specifications).
Expander.
Summary(Tab) - Radial/Axial
Design
Machine Type
Select Radial or Axial.
Use Simple Curve

Enables the simple curve calculations. See the curves section below for more details.
Main Data
OutQ
The net power available from the expander. For a detailed energy balance, see the Shaft tab.
Delta P
The pressure drop across the machine/stage.
Pressure Ratio
The ratio of the actual work extracted to the work available from isentropic expansion.
Speed
Adiabatic Head
The ideal (isentropic) expansion work per unit mass of gas. Normally expressed as (ft-lbf)/lb (ft) or (m-kgf)/kg
(m).
Use Ref. Phase Dens

Select which density to use for calculating delta P from head. The default for an expander is All, which uses the
actual (multiphase) density.
Advanced
Adiabatic Exponent
For purposes of expander modeling, a polytrope is defined by a path along which PV^n is constant. The isen-
tropic exponent is the value of n for an isentropic (reversible) expansion path.
Polytropic Exponent
For purposes of expander modeling, a polytrope is defined by a path along which PV^n is constant. The poly-
tropic exponent is the value of n for the actual (polytropic) expansion path.
The average ratio of extracted work to isentropic work along the polytropic expansion path.
Polytropic Head
The total expansion work extracted along the polytropic expansion path. Normally expressed as (ft-lbf)/lb (ft) or
(m-kgf)/kg (m).

A correction factor to compensate for the variation in polytropic efficiency along the expansion path.
Max Temp Out

instead.
Design Speed
Design Power
Design Flow
Design Efficiency
Design Head
Design Torque
Material Summary
Summary(Tab) - Radial Des Pt

The Radial Des Pt model assumes that inlet gas is accelerated as it passes through the inlet guide vanes, and
that the kinetic energy is then converted to work as the gas travels inwards on the rotor vanes. At the design
point, the gas velocity out of the guide vanes typically matches the rotor tip speed.
The required data is a design point, and either an efficiency specification, or an efficiency curve. Typically, the
expander will be connected to another item of equipment, and the energy balance will determine the speed.
Alternately vendor data may be supplied in the form of a U/C and Q/N efficiency correction curve. To enter data
in this format, set "Use Simple Curve" to true, and an extra tab "Radial Curves" will become visible (see below).
Design
Machine Type
Select Radial Des Pt.
Use Simple Curve

Simple curves are not used for the Radial Des Pt option.
Main Data
OutQ
Delta P
Pressure Ratio
Speed
Adiabatic Head
(m).
Use Ref. Phase Dens

Guide Vane Area

The current cross-sectional area available for flow expressed as a percentage of the design value. Expressing
the value as a ratio makes the expander easier to model without reference to detailed geometric information.
Inlet Mach Number

The gas velocity at the rotor tip expressed as a mach number.
U0/C1 ratio
The ratio of the gas velocity at the rotor tip to the rotor tip speed.
Advanced
Adiabatic Exponent
For purposes of expander modeling, a polytrope is defined by a path along which PV^n is constant. The isen-
tropic exponent is the value of n for an isentropic (reversible) expansion path.
Polytropic Exponent
For purposes of expander modeling, a polytrope is defined by a path along which PV^n is constant. The poly-
tropic exponent is the value of n for the actual (polytropic) expansion path.
The average ratio of extracted work to isentropic work along the polytropic expansion path.
Polytropic Head
The total expansion work extracted along the polytropic expansion path. Normally expressed as (ft-lbf)/lb (ft) or
(m-kgf)/kg (m).

A correction factor to compensate for the variation in polytropic efficiency along the expansion path.
Max Temp Out

Design Point
The machine performance at off -design conditions is calculated based on a design point, and either an effi-
ciency specification or an efficiency curve.
Impeller Diameter
The diameter of the impeller. This value is not required, but if supplied, is used to calculated the rotor tip speed,
and other performance data.
Design Speed
Design Power
Design Flow
Design Efficiency
Design Head
Design Torque
Material Summary
Radial Curves(Tab) - Radial Des Pt

Vendor data may be supplied in the form of a U/C and Q/N efficiency correction curve. To enter data in this
format, set "Use Simple Curve" to true, and an extra tab "Radial Curves" will become visible:
The default settings for the curves should provide reasonable behavior for turboexpander applications.
Both corrections are in the form of 4th order polynomials - i.e. Corr = c0 + c1*var + c2*var^2 + c3*var^3
+ c4*var^4. The calculated machine efficiency is Design Efficiency * U/C Correction * Q/N Correction.
Fitted polynomials do not always extrapolate well. For this reason, the user must supply a Min/Max range over
which the curve fit is valid. Outside of the range, the correction calculated at the boundary will be used.
The U/C ratio is the U0/C1 ratio - the ratio of the tangential gas velocity to tip speed assuming a design of 50%
reaction. The value of Q/N should be 1.0 at the design point.
The Q/N ratio is defined as (Q/Q Design)/(Speed/Speed Design).
U/C and Q/n curves

U/C and Q/N efficiency correction curve based on the provided data is shown

Design
A reciprocating expander is a positive displacement device. Each rotation on the shaft causes the piston cham-
ber to fill with fluid from the inlet and then discharge to the outlet. This is a rating model, and the cylinder geo-
metry is required information.
Machine Type
Select Reciprocating. Data for expander curves are not used for reciprocating machines.
Use Simple Curve

Expander curves cannot be used with a reciprocating model.

OutQ
Delta P
Pressure Ratio
Speed
Use Ref. Phase Dens

Reciprocating Data
Cylinder Bore
Cylinder Stroke
The distance that the piston moves during an expansion stroke.
Displacement
Area * Cylinder Stroke * cycles/time).
Specify two out of (Cylinder Bore, Cylinder Stroke, Displacement).
Cylinder Clearance
Design Speed
Unloader Clearance
The volume of the unloader chamber(s) expressed as a percent of the total cylinder volume. This item is nor-
mally more applicable to compressors than expanders. The default of 0 implies no unloader chambers.
Stroke Efficiency
The thermodynamic efficiency of the expansion stroke. The overall efficiency is lower because of cylinder clear-
ance and unloader clearance. The calculated overall efficiency is reported in the advanced section.

Multiple Stages
Multiple stages can be modeled using separate expander stages, and then connecting them on the same shaft
(see Shaft tab below). Similarly, for higher fidelity, Head End and Crank End cylinders can be modeled sep-
arately. Intercoolers/heaters can be modeled using a cooler or heat exchange unit operation.
Material Summary
Material (Tab)
Summary(Tab) - Inlet Guide Vanes

Design
This is used to model inlet guide vanes for downstream compressor
Machine Type
Select Inlet Guide Vanes
Use Simple Curve

Simple curves are not used for the Radial Des Pt option.
Main Data - Inlet Guide Vanes

Inlet guide vanes convert pressure energy to kinetic energy which will be recovered at the discharge. The guide
vane angle of 90 deg forms the base case for the curves. For other guide vane angles, one can calculate the
rotational energy imparted, using the sin of the angle, and the cross-sectional area available for flow. There is
also an efficiency issue, in that only a portion of the energy gets converted to kinetic energy both on the vanes
and then when the gas hits the rotating parts
Guide Vane Angle

The current guide vane angle
IGV Eff at 60 deg

Guide vane efficiency at 60 degrees
OutQ
Delta P
Pressure Ratio
Speed
Adiabatic Head
(m).
Use Ref. Phase Dens

Curves (Tab)
Detailed Curves
Expander curves characterize the expander performance at different speeds.

It is also possible to specify performance using P Discharge or P Ratio, but these are also not recommended
since they may lead to unrealistic conditions at off-design conditions.
Curve Flow Basis

Select between volume flow and mass flow as the flow basis for the curves.
Calc Type
This specifies whether the head and efficiency curves are adiabatic or polytropic.

Efficiency curves can be specified together with head or power curves. The user can also opt not to use effi-
ciency curves, and simply specify a constant efficiency instead. This is done by unchecking the Use Efficiency
box.
Note that the efficiency for an expander goes to zero before the flow goes to zero, and asymptotes to -infinity at
zero flow. The curve interpolation routines assume this kind of curve shape when interpolating.
Use Power Curve

Vendors may supply a power curve. This can be entered and used if this checkbox is enabled. Note, however,
that power curves typically assume fixed inlet and outlet conditions - i.e. the ideal work per mass of fluid (Adia-
batic Head) is implicit in the power curve. This limits the ability to operate at off-design conditions with this kind
of specification.
Active
to run.
Plot (Tab)
Curve Type
User Input
Curve Sets
Curves
Show Current
Regressed
Map
sistency.

Design Speed
Design Head
Design Flow
Plot Window
Plot control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Shaft(Tab)
An expander can be simulated either at fixed or variable speed. Also, one can link multiple expander stages on
the same shaft, together possibly also with compressor stages and an electric motor. Typically, in these cases,
one will also specify the rotational inertia, so that the speed dynamics can be modeled.
Inertia
Inertial Mass
Radius of Gyration
Inertia
Shaft
on a single shaft.
Upstream Unit Op
Gearbox Ratio
OutQ
Work extracted directly from this stage.
Shaft Power In
Power To Fluid
Shaft Power Out

Mechanical Loss
Torque To Fluid
Shaft Torque In
Shaft Torque Out

Friction
The work lost to friction, which is calculated from frictional torque.


Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Level
Efficiency
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type

e.g. a separator
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Fired Equipment
Burner
Main Flow sheet
PFD Stencil
Example FiredEquipment.vmp
General
The Burner unit operation uses Gibbs energy to calculate combustion products and energy. The heat of reac-
tion is calculated from a specified fuel and oxidant, the Burner is designed to be general and capable of handling
a range of fuels. The flow rate of combustion products will be calculated from a known fuel flow rate, or if the
flow rate of combustion products is known, the Burner will calculate the fuel flow rate.
The connections of the Fired Heater unit operation can be viewed by clicking the Schematic / Connection node.
Summary Tab
Burner Data
O2 Excess
Stoichiometric oxygen excess that, if specified, is used to calculate the oxidant rate.
O2 Outlet
O2 fraction of flue gas exhaust that, if specified, is used to calculate the oxidant rate.
Dry Basis
Toggle to see, or specify, the O2 Outlet value on a wet basis or dry basis.
Include Shift
Include shift reaction in burner composition calculations. Composition will be equivalent to that at specified
'Exhaust T
At Exhaust T
Visible when Include Shift is selected. Specify the reference temperature at which the O2 Outlet and O2 Excess
is calculated or was measured.
Flame T
Calculated adiabatic flame temperature.
Heat Loss
Specify the heat lost from the process to calculate the flue gas condition.
Fired Heater
Main Flow sheet
PFD Stencil
Example FiredEquipment.vmp
General
The Fired Heater represents a direct fired vertical heater with flue gasses on the shell side. The heat of reaction
is calculated from a specified fuel and oxidant, the Fired Heater is designed to be general and capable of hand-
ling a range of fuels. Detailed furnace geometry is used in rigorous heat transfer calculations for both the fur-
nace and process side. Radiative and convective furnace zones are included in the model and the bridge wall
temperature calculated taking into account of any high velocity flue gas that bypasses the radiative zone.
The connections of the Fired Heater unit operation can be viewed by clicking the Schematic / Connection node.
Summary Tab
Main Data
Has Convection Section

By default the Fired Heater will have both a radiative and convective zone. This toggle will configure the unit
operation with or without the convective zone.
Ambient T
Reference temperature external to the Fired Heater.
Air Velocity
Air velocity external to the Fired Heater.
Tube Roughness
Inside roughness of the tubes for process pressure drop calculation.
Burner Data
O2 Excess
Stoichiometric oxygen excess that, if specified, is used to calculate the oxidant rate.
O2 Outlet
O2 fraction of flue gas exhaust that, if specified, is used to calculate the oxidant rate.
Dry Basis
Toggle to see, or specify, the O2 Outlet value on a wet basis or dry basis.
Include Shift
Include shift reaction in burner composition calculations. Composition will be equivalent to that at specified
'Exhaust T
At Exhaust T
Visible when Include Shift is selected. Specify the reference temperature at which the O2 Outlet and O2 Excess
is calculated or was measured.
Flame T
Calculated adiabatic flame temperature.
Radiant Zone Bypass

Fraction of flue gas that bypasses the radiant zone without taking part in radiant heat transfer.
Bridge Wall T
Temperature between the radiative and convective furnace zones.
Results
Outlet T
Temperature of the process side at the outlet of the Fired Heater
Spec Outlet T
Solve the Fired Heater so that it calculates a fuel rate to match a specified outlet temperature.
Outlet P
Pressure of the process side at the outlet of the Fired Heater
Spec Outlet P
Solve the Fired Heater so that it calculates an upstream pressure to match a specified outlet pressure.
Process to Radiant Zone T

Process temperature entering the radiant furnace zone.
Process to dP
Process pressure drop.
Max Flux
Maximum heat flux value calculated at any point in the unit operation.
Max Tube T
Maximum tube temperature calculated at any point in the unit operation.
Thermal Efficiency
Thermal efficiency calculation based on API 560 standard:
Fuel Efficiency
Fuel efficiency calculation based on API 560 standard:
Furnace Data Tab

The Furnace Data Tab contains geometric and performance information relating to the furnace side of the unit.
Convective zone data is available if Has Convection Section is checked.
Furnace Data: Radiation Zone
Radiant Heat Loss

Energy loss to the environment from the radiant zone can be entered here. The heat loss value specified will be
distributed evenly throughout the length of the radiant zone.
Heat Transfer Model

This parameter allows different overall configurations of the furnace section to be selected. Options include rect-
angular versus cylindrical shape and transverse versus parallel flow. The general setup each of these con-
figurations with assumed burner direction is shown below.
Other options include cylindrical custom and rectangular custom that allow a weighted value between trans-
verse and parallel configurations. When a custom option is selected the weighted value can be specified in
Shape Factor.
Shape Factor
Appears when a custom Heat Transfer Model is selected. The value entered, between 0 and 1, weights the con-
tribution of transverse and parallel flow.
1 = 100% transverse flow
0 = 100% parallel flow
Radiant Zone Width

The width of the radiant zone. When multiple tubes exist in an operation each tube coil is spaced evenly within
the width space available with tube pass spacing being based on the tube bend radius.
Radiant Zone Depth

The depth of the radiant zone. Similar to the Radiant Zone Width, when multiple tubes and passes exist in an
operation each tube row is spaced based on the tube row bend radius within the depth space available.
Additional Length
The additional furnace length past the length of each tube pass in the radiative zone can be specified here. This
variable will effect the heat transfer calculations.
Radiant Zone dP
The pressure drop across the radiant zone is specified here. There is no pressure profile calculated on the fur-
nace side and an overall outlet pressure is assumed for internal calculations.
Fouling Factor
In order to further match heat transfer resistance caused by coking on the inside of the tube coils, above auto-
matic coke thickness considerations, this parameter can be used to adjust the convective heat transfer con-
tributions within the tube. The fouling factor, ft, is used in the overall convective heat transfer coefficient as
shown in the following equation (Kern, 1950).
Where:
hs and ht are the shell side and tube side heat transfer coefficients respectively.
AI and AO are the inside and outside tube surface area.

xw and kw are the tube thickness and tube material’s thermal conductivity.
xc and kc are the coke thickness and coke’s thermal conductivity.
View Factor
The average geometric view factor for the furnace’s radiant heat transfer calculations is entered here. This
value, shown as F in the below equation (Kern, 1950), represents the fraction of the tube surface area that is
exposed to and absorbs radiant heat from the furnace.
Tube Emissivity
The emissivity of the furnace tubes in the radiant zone is entered in this signal port for internal radiant heat trans-
fer calculations. An example would be an emissivity of 0.79 for an oxidized steel at ~600 C, or 0.28 for a mild
molten steel surface ~1600 C (Hewitt, Shires, and Bott, 1994).
Tube Material
Different material for the process tubes can be input in this parameter. Thermal conductivity provided by lit-
erature for the chosen material will be taken into account for internal heat transfer calculations (Kern, 1950)
(Faghri, 1995).
Each tube material selection available also corresponds to different alloys with different chemical composition
where most of them contain Iron, Nickel, Chromium and Carbon content, which is shown in the "Tube Metal
Data" frame within the "Settings" tab. Combinations of Iron, Nickel, and Chromium provides differing heat res-
istance for alloys within a furnace working at high temperatures (Froment, et al., 1995) and should be con-
sidered within the unit operation's setup.
Furnace Data: Convection Zone

The convective zone furnace configuration will be visible when Has Convective Section is checked.
Radiant Heat Loss

Energy loss to the environment from the convective zone can be entered here. The heat loss value specified will
be distributed evenly throughout the length of the radiant zone.
Heat Transfer Model

This parameter allows different overall configurations of the furnace section to be selected. Options include rect-
angular versus cylindrical shape and transverse versus parallel flow. The general setup each of these con-
figurations with assumed burner direction is shown below.
Other options include cylindrical custom and rectangular custom that allow a weighted value between trans-
verse and parallel configurations. When a custom option is selected the weighted value can be specified in
Shape Factor.
Shape Factor
Appears when a custom Heat Transfer Model is selected. The value entered, between 0 and 1, weights the con-
tribution of transverse and parallel flow.
1 = 100% transverse flow
0 = 100% parallel flow
Convective Zone Width

The width of the convective zone. When multiple tubes exist in an operation each tube coil is spaced evenly
within the width space available with tube pass spacing being based on the tube bend radius.
Convective Zone Depth

The depth of the convective zone. Similar to the Convective Zone Width, when multiple tubes and passes exist
in an operation each tube row is spaced based on the tube row bend radius within the depth space available.
Additional Length
The additional furnace length past the length of each tube pass in the convective zone can be specified here.
This variable will effect the heat transfer calculations.
Radiant Zone dP
The pressure drop across the convective zone is specified here. There is no pressure profile calculated on the
furnace side and an overall outlet pressure is assumed for internal calculations.
Fouling Factor
Where:
hs and ht are the shell side and tube side heat transfer coefficients respectively.

View Factor
Tube Emissivity
The emissivity of the furnace tubes in the convective zone is entered in this signal port for internal radiant heat
transfer calculations. An example would be an emissivity of 0.79 for an oxidized steel at ~600 C, or 0.28 for a
mild molten steel surface ~1600 C (Hewitt, Shires, and Bott, 1994).
Tube Material
(Faghri, 1995).
Results
The Results form shows calculated furnace side performance information.
Furnace Exchange
Total net energy exchanged between furnace and process sides.
Radiant Zone
Net energy exchanged between furnace and process sides in the radiant zone.
Convective Zone
Net energy exchanged between furnace and process sides in the convective zone.
Flue Gas Emissivity

The internally calculated furnace side flue gas emissivity that is used in radiant heat transfer predictions is
shown here. This resulting value is dependent on gas composition, average furnace side temperature, and
excess oxidant of the flue gas (Bahadori and Vuthaluru, 2009).
Exposed Surface Area

The outer exposed surface area of all bare tubes is provided in this signal port. Surface area with the transverse
fin option should be calculated by multiplying this surface area by the Area Ratio variable's value.
Radiant Zone
The outer exposed surface area of bare tubes in the radiant zone.
Convective Zone
The outer exposed surface area of bare tubes in the convective zone.
Convective Tube Detail Tab

The Convective Tube Detail Tab contains geometric and performance information relating to the convective
zone tubes. The tab is available if Has Convection Section is checked.
Settings
Tube Segments
The number of different back to back tube segments within the convective zone is given here. There is no limit
to how many segments can be specified in a unit.
Convective Zone Tube Detail
Segment
Identifying number assigned to segment .
Tube Direction
The direction of the tube coils within the segment can be selected here. The options include either horizontal or
vertical tube rows coming in from the top or bottom of the furnace. For horizontal tube directions the furnace
cross flow selection always assumes the hot material to be coming in from the bottom. For furnace sections
where the flue gas is traveling in the downward direction the tube direction choice should have the top and bot-
tom option assumption switched.
Number of Tubes
Number of tubes within the segment. All tubes will have equivalent geometries and will be evenly spaced.
Passes Per Tube

The number of passes per tube through the segment is entered here. The tube length and bend radius is
assumed to be equal for each pass.
Total Length
This signal port gives the total length per tube. Each tube pass plus bend will have a length equal to this value
divided by the number of passes.
Tube Bend Radius

The average tube bend radius should be entered for multiple tube pass situations. This input value affects both
the pressure drop and convective heat transfer calculations.
Inside Diameter
The inside diameter of the process tubes should be entered here. Any coke layer thickness entered will be sub-
tracted from this value for improved accuracy of pressure drop and residence times predicted.
Outside Diameter
The corresponding outside diameter of the process tubes are entered in this signal port. All heat transfer results
within the ethylene cracking reactor will be given with respect to the outside diameter and outside surface area.
Tube Row Layout

The tube layout for situations with greater than one tube row can be selected using this variable. Different tube
layouts with respect to the flue gas flow are shown below.
Tube Rows
The number of tube rows in the direction of flue gas cross flow should be entered here. The number of tube
rows perpendicular to this is calculated as the number of tube passes for every tube coil divided by this value.
Row Bend Radius

The average tube bend radius in the direction of flue gas cross flow should be entered in this signal port for mul-
tiple row situations. This input value affects convective heat transfer calculations.
An example of a convection segment setup is shown below. In this case the number of tubes is 4 with 6 tube
passes and 3 tube rows specified. The tube direction is selected as horizontal from the top with a 30 degree
tube layout all within a X-rectangular furnace.
Coke Thickness In/Out

The inlet and outlet coke thickness on the process side should be entered here. A linear coke thickness will be
interpolated between these two inputs for values along the length of the tube coil. This value will be accounted
for in heat transfer and flowing cross sectional area calculations. The thermal conductivity of the coke is set to
6.46 W/m-K (Plehiers, Reyniers, and Froment, 1990).
Convective Zone Fin Detail
Segment
Fin Type
This parameter can be used to select different transverse fin types for situations where preheating convection
sections including fins are being modeled with or without cracking reactions taking place. Fin details such as
spacing, height, and thickness can be entered in the Convective Zone Fin Detail frame. Details involving the fin
types, geometries, and heat transfer effects can be found in the Air Cooler Rating manual section, general geo-
metry entries are shown below.
Convective Zone Results
Segment
Residence Time
The residence time of the process material through the tube length in the convective section is provided here
accounting for all volumetric changes.
Shell Conv HTC

The average heat transfer coefficient across the convective zone furnace side for convection heat transfer cal-
culations is provided in this signal port for bare tube or finned tube situations.

Area Ratio
This value represents the ratio of surface area with fin specifications versus bare tubes.
Fin Outside Diameter

The outer diameter of the fin tips.
Fin Efficiency
The fin efficiency is calculated as a modified one-dimensional solution (McQuiston and Tree, 1972) with a
shape correction factor to account for tapered versus rectangular fin shapes (Zukauskas, 1981).
Radiant Tube Detail Tab

The Radiant Tube Detail Tab contains geometric and performance information relating to the radiant zone
tubes. The Fired Heater always requires radiant zone tube configuration.
Settings
Tube Segments
The number of different back to back tube segments within the radiant zone is given here. There is no limit to
how many segments can be specified in a unit.
Auto Furnace Split

This option allows the unit to estimate the actual Furnace Split values between each of the tube segments in the
radiant zone. The internal estimates will be based off number of tubes, number of tube passes, and tube bend
radius for each of the tube segments specified.
Radiant Zone Tube Detail
Segment
Tube Direction
The direction of the tube coils within the segment can be selected here. The options include either horizontal or
vertical tube rows coming in from the top or bottom of the furnace. For horizontal tube directions the furnace
cross flow selection always assumes the hot material to be coming in from the bottom. For furnace sections
where the flue gas is traveling in the downward direction the tube direction choice should have the top and bot-
tom option assumption switched.
Number of Tubes
Number of tubes within the segment. All tubes will have equivalent geometries and will be evenly spaced.
Passes Per Tube

The number of passes per tube through the segment is entered here. The tube length and bend radius is
Total Length
Tube Bend Radius

The average tube bend radius should be entered for multiple tube pass situations. This input value affects both
the pressure drop and convective heat transfer calculations.
Inside Diameter
Outside Diameter
The corresponding outside diameter of the process tubes are entered in this signal port. All heat transfer results
within the ethylene cracking reactor will be given with respect to the outside diameter and outside surface area.
Tube Row Layout

layouts with respect to the flue gas flow are shown below.
Tube Rows
Row Bend Radius

tiple row situations. This input value affects convective heat transfer calculations.
An example of a convection segment setup can be seen in the Convective Tube Detail Tab section of this
manual.

Radiant Zone Fin Detail
Segment
Fin Type
This parameter can be used to select different transverse fin types for situations where preheating convection
sections including fins are being modeled with or without cracking reactions taking place. Fin details such as
spacing, height, and thickness can be entered in the Convective Zone Fin Detail frame. Details involving the fin
types, geometries, and heat transfer effects can be found in the Air Cooler Rating manual section, general geo-
metry entries are shown below.
Radiant Zone Results
Segment
Residence Time
The residence time of the process material through the tube length in the radiant section is provided here
accounting for all volumetric changes.
Shell Conv HTC

The average heat transfer coefficient across the radiant zone furnace side for convection heat transfer cal-
culations is provided in this signal port for bare tube or finned tube situations.

Area Ratio

The outer diameter of the fin tips.
Fin Efficiency
Settings Tab
Numerical Settings
Solve From Last Converged

This check box will use the previous solution as a starting point for the calculations, potentially speeding up the
solution time.
Speed Up
Select Speed Up to use an explicit style solver with automated alterations to the estimated equation derivatives
to prevent errors in bounded results. This option can introduce some error (usually around 2-4%) so results
should be confirmed when activated and potentially re-tuned with the available parameters for better accuracy.
All Vapor Phase

This speedup option can be selected if it is known there will only be vapor phase in the process side of the fur-
nace. When selected this option will turn off internal stability checks for liquid phases appearing and will reduce
solution times.
Zone Segments
The number of calculation segments within each unit is provided here and will dictate the number of data points
in the profiles created. A minimum of 10 segments should be kept for accuracy purposes.
Tolerance
The error tolerance used for convergence confirmation for each iterative calculation within the operation is
provided here.
Damping Factor
The damping factor for internal iterative calculations is entered in this parameter. The default value given for this
setting is optimized for general convergence speed.
Max Iterations
This value represents the maximum iterations allowed for internal iterative calculations.
Stiff Tolerance
This tolerance is used in the default stiff integrator. A higher Stiff tolerance will result in a faster unit con-
vergence, but larger values can compromise accuracy in results
DP Data
dP Correlation
If a specific pressure drop correlation is desired for the process tube side it can be altered here. The pressure
drop correlations are the same as found in the Pipe Segment operation.
Note: 2-Phase pressure drop correlations should always be selected when liquid is present in the feed.
Min Outlet P
The minimum allowable pressure at the inlet or outlet of any furnace zone can be specified here. A warning will
be provided in the unit operation’s status message if this minimum pressure is reached throughout the internal
calculations as shown below.
Note: The pressure entry given for this Settings parameter will always be in kPa.
Coke Roughness Factor

This factor dictates the additional roughness effects from coke thickness within the tube coils. When set to zero
the coke thickness still decreases the apparent inner tube diameter, but does not increase the roughness of the
tube surface.
Specification Settings
Spec T Tolerance
This value is used as an absolute tolerance for the outlet temperature specification if activated in the unit.
Spec P Tolerance
This value is used as an absolute tolerance for the outlet pressure specification if activated in the unit.
Zone Tuning
Convective and radiant zone heat transfer calculations can be tuned independently.
Mult T Pass Adj

This variable is used as an adjustment factor for furnace side temperature profiles. The adjustment effects fur-
nace heat zones along tube lengths for parallel flow configurations and across tube rows for cross flow con-
figurations.
Conv HTC In/Out

These values can be adjusted for tuning of the shell side convective heat transfer terms calculated internally
within the unit. The "In" value is multiplied by the shell side convective term and linearly reaches unity by the end
of each reaction zone. The "Out" value is similar, but starts at unity and linearly reaches its value by the end of
each zone. These terms do not effect radiant heat transfer contributions directly within the heat transfer cal-
culations.
Fired Equipment Examples

Fired equipment examples can be seen in the case FiredEquipment.vbp located in the manual examples folder.
Fired Heater
In the Fired Heater unit operation FH1 500 kg/h of methane is combusted in excess air to heat a process fluid
represented by an n-Nonane, n-Decane mixture from 15 C to 196 C.
Property Package
To recreate the example start a VMGSim project and select the APR for Natural Gas 2 property package. Add
WATER, METHANE, CARBON MONOXIDE, CARBON DIOXIDE, OXYGEN, NITROGEN, SULFUR
DIOXIDE, n-NONANE and n-DECANE. Select OK to enter the flow sheet environment and switch the unit set
to SI.
Process streams
Add five material streams to the flow sheet and name them: Cold Oil, Hot Oil, Fuel, Air and Exhaust. Open the
Cold Oil stream form and specify the following feed information: T = 15 C; P = 1500 kPa; Volume Flow = 10,000
bbl/d (66,245 m3/h). Enter a mole fraction of 0.5 for both n-Nonane and n-Decane.
Select the Fuel stream and specify: T = 15 C; P = 100 kPa; Mass Flow = 500 kg/h; Mole Fraction of Methane =
1.
Select the Air stream and specify: T = 15 C; P = 100 kPa; Mole Fraction of Oxygen = 0.2; Mole Fraction of Nitro-
gen = 0.8. The flow rate of air will be calculated by the fired heater unit operation on the basis of excess air.
Fired Heater Unit Operation

Add a Fired Heater to the flow sheet and using the schematic connect the material streams as follows:
To configure the burner to calculate combustion in an excess oxygen environment specify the O2 Excess Frac-
tion = 0.2. Increase the Radiant Zone Bypass [Fraction] to 0.15. This variable sets the high velocity flue gas that
will bypass the radiant zone increasing the temperature in the convection section. The Radiant Zone Bypass
[Fraction] can be set so that the calculated bridge wall temperature matches process data.
The Fired Heater now has enough information to calculate the air flow rate and the adiabatic flame tem-
perature.
By default the Fired Heater will have both radiant and convection zones with independent geometries. Specify
the furnace data as follows:
The Heat Transfer Model was selected to be rectangular in the radiant zone where the tubes were specified as
vertical and parallel to the principle flow direction of flue gas, and x-rectangular in the convection section where
the tubes were horizontal.
Configure the radiant zone tubes in the Radiant Tube Detail Tab and the convective zone tubes in the Con-
vective Tube Detail Tab as follows:
A coke thickness of 0.2 cm was specified at the outlet of the radiant tube to represent tube wall coke build up.
The thickness will be distributed linearly between the outlet and inlet values.
Finally, in the Radiant Zone Tuning form of the Settings tab specify the Mult T Pass Adj to 0.1. This adjustment
represents the temperature profile within in the furnace side of the radiant section and will have an effect on the
heat flux.
Results
The Fired heater will rigorously calculate the heat transfer along the length of the process tube and the results
can be seen graphically in the Plot tab. The heat flux and external tube temperature profiles are shown below.
Burner
The Burner unit operation Brn1 illustrates how the burner can be used to calculate the flow rate of fuel to satisfy
a heating duty. In this example attaching the material stream Exhaust 1 to the heat exchanger Hx1 will allow the
burner to propagate intensive variables to the heat exchanger which in turn will calculate the shell side flow rate.
Process streams
To recreate the example, using the same property package as the Fired Heater example, add four streams to
the flow sheet and name them: Cold Oil 1, Fuel 1, Air 1 and Exhaust 1. Open the Cold Oil 1 stream form and spe-
cify the following feed information: T = 15 C; P = 1500 kPa; Volume Flow = 10,000 bbl/d (66,245 m3/h). Enter a
mole fraction of 0.5 for both n-Nonane and n-Decane.
Select the Fuel 1 stream and specify: T = 15 C; P = 100 kPa; Mole Fraction of Methane = 1.
Select the Air 1 stream and specify: T = 15 C; P = 100 kPa; Mole Fraction of Oxygen = 0.2; Mole Fraction of
Nitrogen = 0.8.
No flow rate is required for either air or fuel.
Burner Unit Operation

Add a Burner to the flow sheet and use the schematic to connect Fuel 1, Air 1 and Exhaust 1. Set the O2
Excess Fraction = 0.2. Without any extensive information the burner will calculate the intensive variables.
Heat Exchanger Unit Operation

Add a Heat Exchanger to the flow sheet and connect the stream Cold Oil 1 to the tube inlet. Specify Tube Dp =
500 kPa and Shell Dp = 0. Also specify the tube outlet temperature as 100 C and the shell outlet temperature as
300 C.
Hx1 will calculate the required duty. Connecting the stream Exhaust 1 to the shell side inlet of the heat
exchanger will solve the system.
Gibbs Curve
Gibbs Curve
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Information Operations\GibbsCurve.vmp
General
The GibbsCurve Unit Operation is a utility method that computes the normalized Gibbs free energy curve
where the key compound is progressively added to the inlet material stream (less the key compound if applic-
able) at the temperature and pressure of the inlet material stream. The Gibbs Curve can be used to examine
the phase stability of the inlet material port fluid. The following are useful references for more details on how the
Gibbs Curve can be used to predict phase stability:
L. E. Baker, K. D. Luks, Critical point and saturation pressure calculations for multipoint systems, SPE Journal,
1980
Lee. E. Baker, A. C. Pierce, Gibbs energy analysis of phase equilibria, SPE/DOE, 1981
L. X. Nghiem, Yau- Kun Li, Computation of Multiphase Equilibrium Phenomena with an Equation of State, Fluid
Phase Equilibria, 1984
Key Compound
Pull down menu that allows the user to select the key compound used to generate the Gibbs Curve.
Summary (Tab)
Material
This frame shows the connected objects and the In_Material and Out_Material port information.
Settings (Tab)
Contains the configuration parameters of the Gibbs Curve.
Key Mole Frac Lower Bound

This parameter is the lower boundary of the mole fraction of the key component in the Gibbs curve. The default
value is 0.
Key Mole Frac Upper Bound

This parameter is the upper boundary of the mole fraction of the key component in the Gibbs curve. The default
value is 1.
Key Compound
Pull down menu used to select the key compound; making a selection here is equivalent to changing the key
compound pull down on the main form. The key compound is the compound whose molar composition is varied
to generate the Gibbs Curve. In the case of a fluid with more than 2 compounds the key compound’s com-
position will be varied between Fr0 and Fr1, with the complementary composition being made up of the appro-
priate ratio of the normalized concentrations of the remaining compounds not including the key compound. For
instance, consider an inlet stream of 20 mole% C1, 30 mole% C3 and 50 mole% C8. If the key compound is
C8, pure C8 would be mixed in varying ratios with a stream initially comprised of 40 mole% C1 and 60 mole%
C3. The resulting composition map used to generate the Gibbs Curve for this example would appear as below:
Mole Fraction C8 Mole Fraction C1 Mole Fraction C3

0 0.4 0.6
0.2 0.32 0.48
0.4 0.24 0.36
0.6 0.16 0.24
0.8 0.08 0.12
1 0 0
Number of Points
The desired number of points in the Gibbs Curve. The default value is 51.

View the equilibrium results for the port selected in the drop down menu.
Plot (Tab)
The Plot tab allows the Gibbs Curve to be viewed as a plot or a table.
Plot Window
to disappear, to make the plot controls reappear right click on the plot window.
Plot Control
Check Boxes
Allows user to toggle several basic plot window configuration items. For example, the user can switch between
a black & white or color plot or switch the y-axis between a linear or logarithmic scale.
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Gibbs Curve Example

In this example, the Gibbs Curve for a Carbon Dioxide\Ethane system will be examined.
Start a new VMGSim case and add an APR property package, with Carbon Dioxide and Ethane as the com-
ponents. Switch the unit set to VMG.
Create a Material Stream and specify it as shown below.
Now create a GibbsCurve Unit Op and connect the Material Stream S1 to the In Port. The GibbsCurve should
solve and appear as follows.
Select the Plot tab to view the Gibbs Curve.
This plot illustrates that at 154 K and 20 kPa, the stream can split into either a liquid1-vapour or a vapour-liquid2
equilibrium system depending on the overall composition. It also indicates that 154K is close to the eutectic
point and the possibility of a liquid-liquid phase split at slightly lower temperatures.
Right click anywhere in the plot window and select Capture Plot to a New Static Window.
This will cause a separate plot window to be created in the VMGSim environment with a static copy Gibbs
Curve Plot, to which new additional plots can be superimposed.
We can use this feature to show how the shape of the Gibbs Curve changes with changing temperature.
Change the Temperature of S1 from 154 K to 150 K, examine the plot tab of the GibbsCurve Unit Op.
Click the icon in the lower right hand corner of the plot window and with the left mouse button still
depressed move this Icon on top of the similar icon on the static plot window created previously. This will add
the current Gibbs Curve plot to the static window allowing for direct comparison of the two curves.
Please note that this static plot window will not be saved with the VMGSim Case.
Heater
Heater
Main Flow sheet
PFD Stencil
Examples Heat Exchange\Heater.vmp
General
A Heater represents a heat exchanger where one side is a process stream that needs to be heated to a desired
set of conditions and the other side is a heating duty.
A schematic diagram and connections of the Heater can be viewed by clicking the Schematic / Connection
node.
Number of Segments
This defines the number of segments used for calculations in the heater. One segment can be used if only heat
exchange is of interest, but if the user wishes to obtain profiles and more detailed information related to the heat
exchange, the number of segments should be increased. The default value is 1 segment.
Summary (Tab)
Main Data
The Main Data frame will contain the following information by default, as either specified or calculated by the
Heater.
InQ
The energy stream into the heater.
Out T
Outlet temperature for the heater. Same value as the temperature of the outlet material port.
Delta P
The pressure drop over the heater.
Delta T
The temperature gain over the heater.
Deg Sub Cooling

If the Calc Sub Cooling is enabled (under Advanced), this signal will be added to the Main Data frame. Deg Sub
Cooling is the difference between the temperature at the outlet of the heater and the bubble point temperature
at the outlet pressure.
Deg Super Heating

If the Calc Super Heating is enabled (under Advanced) this signal will be added to the Main Data frame. Deg
Sub Heating is the difference between the temperature at the outlet of the heater and the dew point tem-
perature at the outlet pressure.
The following figure shows the Main Data frame with both the Calc Sub Cooling and Calc Super Heating
options enabled in the Advanced frame.
Advanced
The Advanced frame contains check boxes to enable/disable calculations that are performed by the heater.
This frame is closed by default, but can be opened by clicking on the node.
Calc Sub Cooling

When Calc Sub Cooling is enabled, the Deg Sub Cooling Signal will be added to the Main Data frame.
Calc Super Heating

When Calc Super Heating is enabled, the Deg Super Heating Signal will be added to the Main Data frame.
Material
Shows the connected objects and the In_Material and Out_Material port information.
Profile (Tab)
Allows selected properties to be viewed for each segment in the heater. The defaults are pressure, energy accu-
mulated by the energy stream and the enthalpy of the solution.
Add/Remove
Allows additional properties to be added/removed to/from the Profile Table. The > and < adds or removes the
selected properties and the >> and << button will add or remove all of the available properties.
Plot (Tab)
X-Variable
Pull down menu to change the x-axis variable being plotted.
Y-Variable
Pull down menu to change the y-axis variable being plotted.
Plot Window
Plot Control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Heater Example
In this example the Heater unit operation will be used to determine the duty required to completely vapourize a
two phase ammonia stream.
Start a new VMGSim project and select the Advanced_Peng_Robinson property package with Ammonia as
the component. Switch the unit set to Field.
Create a heater and specify the inlet and outlet (In and Out ports) as shown below.
Specify a pressure drop of 2 psi. The heater will have enough information to solve and will appear as below.
Go to the Profile tab and press the Add/Remove button. Add the VapFrac and T properties by selecting them
from the available properties list and clicking the > button. Then press the OK button.
Change the Number of Segments to 10 by clicking on the Number of Segments text box and pressing enter.
Your Profiles tab should be similar to the one below.
Switch to the Plot tab and change the plotted variables using the X-Axis and Y-Axis pull down menus. An
example of such a plot is shown below.
Heater Dynamics
Heater - Dynamics
Main Flow sheet
PFD Stencil
General
A Heater represents a heat exchanger where one side is a process stream that needs to be heated to desired
set of conditions and the other side is represented by a heating duty.
A schematic diagram and the connections of the Heater can be viewed by clicking the Schematic / Connection
node.
Summary (Tab)
Main Data
user or calculated by the Heater.
A Heater requires one energy specification:
In Q
The Heater duty. Be aware that this specification can cause problems with unreasonable temperatures if the
feed flow is reduced.
Out T
The duty will be calculated to maintain the specified outlet temperature. The duty can become very large if the
feed temperature suddenly changes. Also, the temperature out is the holdup temperature, and will be applied to
all streams which have an outward flow
Delta P
The pressure drop across the exchanger. If specified, the specification will be applied in the same manner even
if the flow reverses. Note also that a delta P specification can result in an infeasible outlet pressure if the inlet
pressures becomes too small.
Heat Loss
The calculated heat loss based on the Heat Loss Calc Type selected.
Heat Loss Calc Type

Percent Level
The percent level in the cooler.
Level
Heater Configuration
Volume
k
Thermosiphon Effect
Checking this will cause the pressure balances in the heater to take account of elevation differences between
the heater and adjacent connected equipment even if static head calculations are not enabled. This can be con-
venient, since enabling static head calculations requires that all equipment and nozzle elevations be set cor-
rectly.
Geometry and Levels

The geometry information entered here is currently used only for calculating liquid level in the exchanger. This
information is not required unless you intend to do level control. If you do configure level control, you will need to
check and adjust the inlet and outlet nozzle location and size.
Orientation
The equipment orientation – vertical or horizontal.
Inclination
The angle of inclination of the equipment – 0° - 90° : Inlet is higher, 90° - 180° : Outlet is higher (¹See below for
more details).
Length
The equipment length
Diameter
The equipment diameter
Phase Fraction Calc

nozzles
Percent Level Liq 0

The level percent of the light liquid
Percent Level Liq 1

The level percent of heavy liquid
Level Liquid 0
The level of the light liquid
Level Liquid 1
The level of the heavy liquid
Material Summary
¹More details for Heaters Inclination
Heat Loss (Tab)

Heat Loss Calc Type
Simple Heat Loss

Duty
Calculated duty.
UA
U
Area
Process T
Outside Data
Ambient Temperature
Outside T
Outside T
Detailed Heat Loss

Duty
Calculated duty
Process T
Layer Count
Outside Temp Source
Ambient Temperature
Outside T
Heat Transfer Coeff

Inner HTC Corr.

Inner HTC
Inner HTC Scale

Outer HTC Corr.

Outer HTC
Outer HTC Scale

Information related to the radiant heat transfer inside and outside the heater is defined within this frame.

Checking this option includes radiant heat transfer on the inside of the heater. The radiant heat transfer is



Checking this option includes radiant heat transfer on the outside of the heater.
Radiant HT Method
The method used to calculate the radiant heat transfer on the outside of the heater.
Grey Body
(Kern, 1950).
ISO Fire Heat




Layer Name
Density
Heat Capacity
Thickness
Walls Detailed
Area
geometry.
Duty
Temperature
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

The nozzle elevation above ground level. (See below for more details¹)
Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Heat Exchanger
Heat Exchanger
Heat Exchangers
Main Flow sheet
PFD Stencil
Examples Heat Exchange\HeatExchanger.vmp
General
The Heat Exchanger performs a steady state, two-sided heat and material balance calculation. The energy
change that occurs between the two streams involved is equivalent to connecting heater and cooler operations
that share their input/output energy streams. In addition, details such as UA values, profiles and file export cap-
abilities are included.
By clicking the Schematic / Connection Node you can view a schematic diagram and connections of the Heat
Exchanger.
Number of Segments
The number of segments used for calculations in the heat exchanger. If you are only interested in the heat
exchange then you can use only one segment, but if you want to obtain profiles and more detailed information
related to the heat exchange, then you should define a larger number of segments. NOTE: For heat
exchangers where non-linear temperature vs. energy transfer behavior is encountered, the UA value will
change for a different number of specified segments. The more segments specified, the more accurate the UA
value calculated (as the non-linear behavior is profiled). In general, the UA value will converge as the number of
segments approaches infinity.
Counter Current
Allows the flow configuration of the heat exchanger to be set to either CounterCurrent or ParallelFlow (Co-Cur-
rent). CounterCurrent has the hot and cold inlet streams entering from opposite ends of the exchanger and Par-
allelFlow has hot and cold inlet streams entering on the same side of the exchanger.
Add Energy Signal … (Button)

Energy signals will show the amount of heat lost or gained by the process stream on one side of the exchanger.
Clicking the Add Energy Signal… button will bring up the following form, which configures the energy signal to
before being added to the signal port.
Energy Signal Name

Change the name that is appended to the added energy signal port description in the signal port.
Add Energy to Side

Pull down menu to select the side the energy signal will be added to.
Calculate energy value as (Qin – Qout)

Energy lost by the stream will be calculated if the check box is selected (default) and energy gained by the
stream will be calculated if the check box is deselected.
PSF File … (Button)

Creates a PSF File dump for the Heat Exchanger, see the PSF File section of the manual for more details.
Schematic (Button)
Clicking the schematic button will bring up the following window, which allows the user to view the heat
exchanger process information.
The SPECIFICATIONS radio buttons and the DISPLAY OPTIONS and BETWEEN STREAM check boxes
allow the information displayed to be configured.
Summary (Tab)
Main Data
By Default the Main Data Frame will contain the following information which is a Main Data that is either spe-
cified of calculated by the Heat Exchanger.
TubeDP
The pressure drop over Tube side of the heat exchanger.
Shell DP
The pressure drop over the shell side of the heat exchanger.
UA
The UA value for the heat exchanger.
Note that the specified Number of Segments will affect this value.
Approach T
The approach temperature for the heat exchanger.
EnergyLost_Tube_Q0
The energy transferred from the Tube side process stream to the shell side process stream.
Data
In Tube-Shell DT
The difference between the inlet temperatures of the of the Tube and Shell sides of the heat exchanger.
Out Tube-Shell DT
The difference between the outlet temperatures of the of the Tube and Shell sides of the heat exchanger.
Tube Delta T
The temperature difference of the inlet and outlet streams of the Tube side of the heat exchanger.
Shell Delta T
The temperature difference of the inlet and outlet streams of side1 of the exchanger.
Detailed Rating
The Detailed Rating frame allows a rating engine to be selected for the heat exchanger. By default this frame is
Rating Engine
The method that is used to rate the heat exchanger.
NoRating
No heat exchanger rating will be performed. This is the default Rating Engine.
VMGSim
Enables the VMGSim rating engine, when selected this will add a Rating tab to the heat exchanger form. See
the VMGSim Rating section of the manual for additional details.
STX
Enables the STX Link, when selected this will add a STXLink tab to the heat exchanger form. See the STX Link
section of the manual for additional details.
HTRI
Enables the HTRI Link, when selected this will add a HTRILink tab to the heat exchanger form. See the HTRI
Link section of the manual for additional details.
Material
Shows the connected objects and the Material port information.
InTube
Inlet for the tube side of the heat exchanger.
InShell
Inlet for the shell side of the heat exchanger.
OutTube
Outlet for the tube side of the heat exchanger.
OutShell
Outlet for the shell side of the heat exchanger.
Settings(Tab)
Settings for the heat exchanger can be specified within this tab.
Numerical Settings
Track Phase Change

When selected, it finds phase changes in any of the two sides and it sets a segment there. The Number of Seg-
ments should be greater than one in order for these segments to appear. By default Track Phase Change is not
selected.
At this point this feature only works when UA values are not specified. If a UA is specified and Track Phase
Change is selected, then a message is passed to the user and the parameter is ignored.
Max Num Iterations

Maximum number of iterations accepted when attempting to solve the heat exchanger.
Damping Factor
Depending on the input, the heat exchanger may be solved iteratively as a set of non-linear equations. The
damping factor affects the step size taken by the algorithm when updating values from iteration to iteration. A
damping factor lower than one results in smaller step changes in the iteration variables than the ones obtained
from the numerical algorithm. The default value is 1.0 (no damping).
Max Error
Solution Method
Defines the numerical method used to solve the heat exchanger. The default is NewtonRaphson.
Try To Restart
When selected, the solver uses the last iteration values (converged or not) as the initial values for finding a solu-
tion. This parameter overwrites TryLastConverged. This parameter is useful when it is thought that a heat
exchanger only requires a few more iterations in order to obtain a solution. By default TryToRestart is not selec-
ted.
Try Last Converged

When selected, the solver attempts to use the last converged solution as the initial values for finding a new solu-
tion. Note that TryLastConverged still checks if the initialization algorithm provides better initial values than the
last converged solution. It is also important to point out that the heat exchanger will still remember the last con-
verged solution even if it does not converged. By default TryLastConverged is selected.
Retry on Failure
When selected, the solver will attempt to re-solve the unit operation from scratch in case it fails to converge
when initializes from the last converged solution.
Minimize Error
equations, which result in an “error”. If the maximum value of these “errors” is lower than a tolerance then the
equations are assumed to be converged. When selected the solver attempts to always reduce the maximum
error from iteration to iteration (i.e. it does not allow the solution to diverge). If it is not selected, then it blindly
takes the values from the numerical algorithm from iteration to iteration. By default MinimizeError is selected.
Monitor Convergence
When selected the solver automatically checks if the algorithm is far from the solution and it does not seem to be
converging, which results in a premature break in the calculations. When not selected, it allows the solver to
keep on iterating until it reaches MaxIterations. By default MonitorConvergence is selected.
Freq Jacobian Msg

The number of internal perturbations the solver makes to the Jacobian that must occur before a status message
is shown. The default is 10.
Profile (Tab)
This allows the tabular display of values used to create the plots in the “Plot” tab. A value is given for each seg-
ment in the heat exchanger representing each property chosen. By default UA, temperature and accumulated
energy are included.
Add/Remove
Allows additional properties to be added to the Profile Table. The > and < buttons add or remove the selected
properties and the >> and << button will add or remove all of the available properties.
Plot (Tab)
Allows selected heat exchanger properties to be plotted and viewed.
X-Variable
Pull down menu to change the X-axis variable plotted.
Y-Variable
Pull down menu to change the Y-axis variable plotted.
Plot Window
Plot Control
Check Boxes
a Black & White or Color plot or switch the y axis between a linear or logarithmic scale.
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Report (Tab)
The report tab provides a summary of the data contained in the heat exchanger in an API660 format.
Note that any specified values will be able to be changed in the report form.
Rating (Tab)
This tab will appear when the VMGSimRatingEngine is selected. More detailed information regarding VMGSim
exchanger rating can be found in the VMGSim Rating section of the manual.
STX Link (Tab)

This tab will appear when the STX RatingEngine is selected. More detailed information regarding the STXLink
can be found in the STXLink section of the manual.
HTRI Link (Tab)

This tab will appear when the HTRI RatingEngine is selected. More detailed information regarding the HTRI
Link can be found in the HTRI Link section of the manual.
Heat Exchanger Example

In this example a Heat Exchanger will be used to cool an ethane rich stream with a water utility stream. Start a
new VMGSim case, and select the Advanced_Peng_Robinson property package with the following com-
ponents: N2, CO2, C1, C2, C3, iC4, nC4, iC5, nC5 and water. Switch the unit set to SI. Add a heat exchanger
and specify the In Tube and In Shell ports as shown in the table below.
In Tube In Shell
Temperature (°C) 85 4
Pressure (kPa) 200 200
Mass Flow (kg/h) 8000
Nitrogen mole fraction 0.017 0
Carbon Dioxide mole fraction 0.002 0
Methane mole fraction 0.06 0
Ethane mole fraction 0.62 0
Propane mole fraction 0.26 0
IsoButane mole fraction 0.035 0
n-Butane mole fraction 0.002 0
i-Pentane mole fraction 0.002 0
n-Pentane mole fraction 0.002 0
Water mole fraction 0 1
Specify the temperatures of Out Tube and Out Shell to be 30 °C and 40 °C, respectively. Enter a pressure drop
of 30 kPa for Tube side and a pressure drop of 50 kPa for the shell side, the Heat Exchanger will solve and the
flow rate of the utility water, overall UA value, outlet pressures, and temperature drops will be calculated. The
solved Heat Exchanger will look similar to the figure below.
Change the Number of Segments to 5 and experiment by adding and removing properties in the Profile tab.
The following shows an example of this where the Pressure, Mass Density and the Cp have been added.
With the Heat Exchanger now solved, the profiles calculated within the Heat Exchanger can now be observed
as shown below. Adding and removing new profile properties can be done at the user’s leisure. If more detail is
required for either side of the heat exchanger, more segments can be added.
Below is the view of a plot created from this example. The x and y axis properties can be specified from the avail-
able pull down boxes (segment numbering is only possible on the x axis).
Heat Exchanger Dynamics

Heat Exchanger - Dynamics
Main Flow sheet
PFD Stencil
General
A Heat Exchanger is a unit-operation where one side is a process stream that needs to be heated or cooled to
desired set of conditions and the other side is a utility or process fluid. For example a utility fluid may be cooling
water or steam. A process fluid may be another process stream at a higher or lower temperature.
A schematic diagram and the connections of the Heat Exchanger can be viewed by clicking the Schematic /
Connection node.
Summary (Tab)
Main Data
user or calculated by the Heat Exchanger.
A Heat Exchanger requires one complete UA specification. See below
Tube DP
Pressure drop across the tube side of the exchanger. If specified, the specification will be applied in the same
manner even if the flow reverses. Note also that a delta P specification can result in an infeasible outlet pres-
sure if the inlet pressure becomes too small.
Shell DP
Pressure drop across the shell side of the exchanger. If specified, the specification will be applied in the same
manner even if the flow reverses. Note also that a delta P specification can result in an infeasible outlet pres-
sure if the inlet pressure becomes too small.
UA Calculations
The various heat transfer coefficients, tube area and fouling factors are related by the following standard for-
mulations:
Where is the effective overall heat transfer coefficient, is the unfouled heat transfer coefficient, is
the tube heat transfer area, is the shell side film coefficient, is the tube side film coefficient, flow is the
average or reference flow on the shell and tube side and ShellExp and TubeExp are the shell and tube side
exponents.
UA
Overall UA of the Heat Exchanger. This is the effective UA of the exchanger. It may be specified or calculated
from other specifications, such as Clean UA, fouling factors, tube and shell side heat transfer coefficients, etc.
Approach T
The smaller end-point temperature approach.
Duty
The heat transfer from the tube fluid to the shell fluid.
Clean UA
This is the Clean (unfouled) UA of the exchanger. It may be specified or calculated from other specifications,
such as UA, fouling factors, tube and shell side heat transfer coefficients, etc.
Corrected U Value
This is the effective U (heat transfer coefficient) of the exchanger. It may be specified or calculated from other
specifications, such as UA, fouling factors, tube and shell side heat transfer coefficients, etc.
Heat Loss Calc Type

The heat loss model. If a model is selected, a Heat Loss tab appears where the model can be configured.
Heat Loss
The calculated heat loss to surroundings.
Heat Exchanger Configuration
Counter Current / Cross Current

Check the appropriate box to get counter current or cross-current flow patterns. If neither box is checked, flow
will be co-current.
Side Model
Choose the model for calculating MTD for the exchanger. For most cases, the default (Auto) provides the best
approximation. The user can choose between:
l Endpoint: The LMTD will be calculated using the endpoint temperatures
l Shell Boil/Cond: The temperature for the shell side will be assumed uniform and equal to the holdup tem-
perature
l Tube Boil/Cond: The temperature for the tube side will be assumed uniform and equal to the holdup tem-
perature
l Both Boil/Cond: The temperature for the both sides will be assumed uniform and equal to the side holdup
temperature
l Auto: Uses a weighted temperature driving force based on the ratio of total heat transferred to sensible
heat transferred
l Rating: Uses a built-in rating model to calculate the UA and pressure drops.
When boiling or condensing is taking place, assuming a constant temperature equal to the boiling/condensing
temperature may provide a better estimate of temperature driving force, since the bulk of the heat transfer will
take place at this temperature
Thermosiphon Effect
Checking this will cause the pressure balances in the HX to take account of elevation differences between the
HX and adjacent connected equipment even if static head calculations are not enabled. This can be convenient,
since enabling static head calculations requires that all equipment and nozzle elevations be set correctly.
Tube Volume
The fluid holdup volume on the tube side.
Tube k
Shell Volume
The fluid holdup volume on the shell side.
Shell k
Orientation
The equipment orientation – vertical or horizontal. (used to calculate levels in the exchanger)
Inclination
The angle of inclination of the equipment – 0° - 90° : Inlet is higher, 90° - 180° : Outlet is higher (¹See below for
more details).
Level Control
Shell Level Ctl

Enables internal level control using the shell product flowrate.
Tube Level Ctl

Enables internal level control using the tube product flowrate.
Shell Data
Shell Duty
Net heat duty of the shell side holdup. Note that this may be different from the tube side duty due to heat losses
and metal Cp.
Shell Film Coefficient

This is the clean shell side heat transfer coefficient of the exchanger. If it is not specified it will be calculated as
2*(Clean UA)/Area
Shell Fouling Factor

Shell side fouling factor. See equations above to see the relationship between clean and effective heat transfer
coefficients.
If you want to use Fouling Factors, do not specify UA, Clean UA or Corrected U value, since they will override
the fouling factor specification
Shell Diameter
The inside diameter of the shell
Film Coefficient Scaling
Shell Reference Flow

Shell side reference flow to scale the shell film coefficient.
Shell Scale Exponent

Shell side exponent to scale the shell film coefficient. Set to zero to disable scaling. A typical value for turbulent
flow would be 0.8.
Min. Ref. Flow Scale

The minimum value of the flow scale factor applied to the tube and shell film coefficients.
Max. Ref. Flow Scale

The maximum value of the flow scale factor applied to the tube and shell film coefficients.
Shell Phase Frac Calc

nozzles
Shell Level Data
Shell Level SP
The setpoint for the shell level. Visible when Shell Level Control is enabled.
Shell Percent Level

Shell Level
Shell HTC Level Scale

Allows different HTC for vapor and liquid zone. Useful for boiling and condensing applications.
HTC = lev%*HTC + (100-lev%)*scale*HTC
Tube Data
Tube Length Per Pass

The length of the tubes. This is used only for calculating levels.
Tube Film Coefficient

This is the clean tube side heat transfer coefficient of the exchanger. If it is not specified it will be calculated as 2*
(Clean UA)
Tube Fouling Factor

Tube side fouling factor. See equations above to see the relationship between clean and effective heat transfer
coefficients.
If you want to use Fouling Factors, do not specify UA, Clean UA or Corrected U value, since they will override
the fouling factor specification
Area Rating
Tube heat transfer area. This needs to be specified if you do not have a UA specification.
Film Coefficient Scaling
Tube Reference Flow

Tube side reference flow to scale the tube film coefficient.
Tube Scale Exponent

Tube side exponent to scale the tube film coefficient. Set to zero to disable scaling. A typical value for turbulent
flow would be 0.8.
Minimum Ref. Flow Scale

The minimum value of the flow scale factor applied to the tube and shell film coefficients.
Maximum Ref. Flow Scale

The maximum value of the flow scale factor applied to the tube and shell film coefficients.
Tube Phase Frac Calc

nozzles
Tube Level Data
Tube Level SP
The setpoint for the tube level. Visible when Tube Level Control is enabled.
Tube Percent Level

Tube Level
Tube HTC Level Scale

Allows different HTC for vapor and liquid zone. Useful for boiling and condensing applications.
HTC = lev%*HTC + (100-lev%)*scale*HTC
Temperature Deltas
In Tube-Shell DT
The delta T between the InTube and OutShell ports
Out Tube-Shell DT
The delta T between the OutTube and InShell ports
Tube Delta T
The delta T between the OutTube and InTube ports
Shell delta T
The delta T between the OutShell and InShell ports
Material Summary
¹More details for Heat Exchangers Inclination
The Nozzles for Vertical Heat Exchangers are aligned on the center line of the equipment as shown in above fig-
ure.
Material (Tab)
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Level
Efficiency
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type

e.g. a separator
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Heat Loss (Tab)

Heat Loss Calc Type
Simple Heat Loss

Duty
Calculated duty
UA
Overall heat transfer factor
Process T
Outside Temp Source
Ambient Temperature
Outside T
Detailed Heat Loss

Duty
Calculated duty
Process T
Outside Temp Source
Ambient Temperature
Outside T
Layer Count
Heat Transfer Coeff

Inner HTC
Inner HTC Scale

Outer HTC
Information related to the radiant heat transfer inside and outside the heat exchanger is defined within this
frame.

Checking this option includes radiant heat transfer on the inside of the heat exchanger. The radiant heat trans-
fer is driven by an equation taking into account the process temperature, inner wall temperature, inner process



Checking this option includes radiant heat transfer on the outside of the heat exchanger.
Radiant HT Method
The method used to calculate the radiant heat transfer on the outside of the heat exchanger.
Grey Body
(Kern, 1950).
ISO Fire Heat




Layer Name
Density
The wall material density. Required so that VMGSim can calculate the overall heat capacity. Default value sup-
plied is for mild steel.
Heat Capacity
The specific heat capacity for the wall material. Default value supplied is for mild steel.
The thermal conductivity for the wall material. Default value supplied is for mild steel.
Thickness
Walls Detailed
Area
geometry.
Duty
Temperature
The temperature at each layer boundary. For a two layer case, these would be layer-1 inner, layer-1/layer-2,
and layer-2 outer
PFSFile
PSF File Generation
Main Flowsheet
PFD Stencil
Shell and tube heat exchangers within VMGSim allow PSF file generation for import into the HTFS software
TASC and FIHR. This feature can only be used in fully solved 2-sided heat exchanger unit operations.
Pressure Data Points

Using the PSF file generation you may generate a PSF text file with a set number of pressure data points per
side. The number of pressure data points is set in the VMGSim.ini file under:
[Misc2]
psfPressurePoints = 5
The pressure points generated are spaced evenly across the pressure range of each associate exchanger side.
In the case of 1 generated pressure point specified the hot side and cold side data points will correspond to the
average pressure across each side.
If the VMGSim.ini setting is missing or equals zero the “PSF File…” button found in the 2-sided heat exchanger
form will be disabled from use.
Temperature Data Points

The number of temperature points given for each pressure data point is 12. These points will be determined
based on the different phase behavior of each heat exchanger side.
For allocation there are 3 temperature points for any region outside the 2-phase envelope. Remaining points
will be used to define the 2-phase region. If only a liquid or vapor region is encountered then all 12 temperature
points are allocated to its definition.
Below are some example situations of regions covered by heat exchanger sides and where the corresponding
temperature data points would be generated.
STX Link
STX Live Link / File Export / Built-in Solver
Main Flowsheet
PFD Stencil
Examples Heat Exchange\STX-Case1.vmp

Heat Exchange\STX-Case2.vmp
Heat Exchange\STX-Case3.vmp
Shell and tube heat exchangers within VMGSim allow sizing, rating and evaluation to occur outside or within
the program using the STX program developed by Heat Transfer Consultants, Inc. (HTC). Three options exist,
including a live link, a file export and a built-in solver.
Note: The heat exchanger operations in VMGSim must be fully solved for either the file export or live link to
work.
To Enable the STX Engine, in the advanced frame, the option Rating Engine should be set to STX
File Export
Using the file export you may generate hot (.HOT) and cold (.CLD) side files that can be imported into the STX
and ACX software. The File Export option does not require you to have the HTC software installed locally, as
do the STX live link and built-in solver options.
Shown below is an image of a heat exchanger’s “STX/ACX Export” tab. In this example the STX is not installed
on the computer and therefore the STX live link and built-in solver options are disabled.
From the “STX/ACX Export” tab pressing the “Export File(s)” button will prompt you to specify the export file
name and location as shown below. The unit set used in the file export is determined by the ratio button at the
top of the “STX/ACX Export” tab view. Either “SI” or “English” can be selected, which correspond to the two
default unit sets in the HTC software.
Once the .HOT and .CLD file export has been successfully completed the bottom STX/ACX File Export area
will populate with the values placed in the newly created export files. Included in the first column is the descrip-
tion of the values and what units were used in the export generation.
Note: Up to 13 decimal places will be given for each value in the exported files generated, although just 4
decimal placed are shown in the bottom STX/ACX File Export area.
In the blue text message, above the output values in the STX/ACX File Export area, any problems or errors that
might have been encountered while creating the export files will be displayed. In this example the message
warns that one or both of the thermosiphon slopes were not calculated. The image below shows this along with
the top section of a populated STX/ACX File Export area.
Once the .HOT and .CLD files have been exported they are ready for import into the STX or ACX software.
From STX, this is completed by using the pull down menu as shown in the follow image.
For the STX program both the .HOT and .CLD export files should be imported into the program. In the case of
ACX, only the .HOT file needs to be imported and the cold side will automatically be considered as air.
Note: If thermosiphon reboiler calculations are being completed in the STX program the “Include Boiling Point
vs. P:” check box should be selected within the VMGSim heat exchanger form. If not, the values will have to be
manually entering in STX.
Live Link
If the STX software and dongle are on the user’s computer a live link between VMGSim and STX may be
established. If either the software or dongle is not detected then the live link view is disabled and a message will
appear in the link area stating the status.
With successful detection of STX, the live link area is enabled and you may create a link between the VMGSim
heat exchanger and STX. To do this, check the “Create STX Case” check box. An image of the screen view
after a case has been created is shown below.
Once this check box is selected the STX interface will appear and all of the VMGSim process information for the
heat exchanger will be passed into the STX program automatically.
Warning: If the “Create STX Case” check box is unselected at any point in time the STX case will be terminated
for that specific heat exchanger operation and any geometry information will be lost.
Users will find that during the live link, some areas of STX are disabled and can only be altered through
VMGSim during the live link implementation. These include:
1. All process information with exception of the fouling resistance. This information will be passed and
updated when necessary from VMGSim automatically. Since fouling resistance is not provided in
VMGSim heat exchangers this can be manually entered within the STX interface.
2. The unit set being used. This is set within VMGSim from the radio buttons found at the top of the
“STX/ACX Export” tab. Once again, as in the file export, the two default unit sets of STX can be used: SI
and English.
3. The calculation mode. Design, Rating and Evaluation modes are available through the live link and can
be selected through the radio buttons found on the “STX/ACX Export” tab.
Initial STX Case Geometry

The initial geometry for each new STX case is loaded from a file that has its path specified in the VMGSim.ini
heading “[HTC]”. For either a new SI or English unit set case the two lines that give the path name of the .STI
file loaded are:
DefaultSTXConfigurationFileSI =
DefaultSTXConfigurationFileENG =
The original paths will point to files that are created when VMGSim is locally installed on a computer. These
paths or .STI files can be modified for a custom initial geometry if desired.
STX Network License Override

The VMGSim dongle detection might fail in specific computer setup situations with STX. If this occurs the
VMGSim detection can be overridden by changing the below setting found in the VMGSim.ini file under the
heading “[HTC]”. When the setting is = T (true) the license will always be assumed to work on the local com-
puter.
OverrideSTXNetworkLicenseCheck = F
Design Mode
In design mode the surface area and exchanger dimensions for the VMGSim heat exchanger’s can be determ-
ined within the STX software. No information comes back to the VMGSim heat exchanger view, but the full
report can be viewed with the STX program once the “Calculate” button on the “STX/ACX Export” tab is
pressed.
When the STX case has solved the solution status can be seen in the “STX/ACX Export” tab live link message.
If the message displays “Unsolved” recalculate the STX case to ensure proper results are given in the STX
report output.
Note: As with the other calculation modes listed below, a .STI file will be saved along with the other VMGSim
files so no information will be lost between save and recall of simulation cases. If the custom STX solver is selec-
ted the .STI file will be loaded to complete internal calculations automatically.
Rating Mode
In rating mode the amount of excess surface area and available fouling factor for a VMGSim heat exchanger’s
can be calculated. This requires that a heat exchanger be described in the STX program and for the calculation
to be triggered by the “Calculate” button on the “STX/ACX Export” tab. Seen below are the results of a cal-
culated rating case.
Information is passed back into the VMGSim heat exchanger STX Live Link area as a result of calculating an
STX case when operating in the “Rating” mode. If output in the alternate unit set is required, the calculation but-
ton can be pressed after selecting the other unit set radio button in the “STX/ACX Export” tab.
Note: More detailed information about the heat exchanger calculations in all modes can be found within the
STX interface and should be viewed to ensure warnings or errors were not ignored.
Evaluation Mode
In evaluation mode a check is made to see if the exchanger specified in STX will perform the specified duty for a
VMGSim heat exchanger’s process conditions. If not, the available outlet conditions and duty will be determined
and passed into the STX Live Link area. As in the Design or Rating modes the “Calculation” button will trigger a
run. In addition, any run error or warning messages will be included in the STX message bar as shown below.
If the calculation is successful, information regarding the run will be propagated back into the VMGSim form
view. This includes the available temperature and pressure for the heat exchanger specified. More information
can be found within the STX’s internal report.
Information Created by VMGSim

For the live link, file export, and custom STX solver in VMGSim there is information referenced at specific points
that must be passed/exported. This information includes reference information for the liquid phase, vapour
phase, and 2-phase region if one is encountered in the heat exchanger. Below is a diagram that shows how the
general referencing is handled.
STX in-Flowsheet Solver

The calculation engine of STX can be used to find solutions for heat exchanger operations within VMGSim.
STX software from Heat Transfer Consultants, Inc (HTC) must be installed on the local computer in order to
use the STX solver in heat exchangers within VMGSim. In addition, STX version 3.6.105 or later must be used.
The “Calculation Mode” drop down menu that appears in the “STX / ACX Link” tab once a STX case has been
created needs to be altered to implement the custom STX solver in a VMGSim heat exchanger. Initially it will
default to “VMGSim”, but the following two STX solve methods are also available:
1. STX – Outlets P, T - This lets STX calculate the outlet pressures and temperatures of an exchanger by
setting one sides outlet enthalpy and both outlet pressures.
2. STX – Flow Rates – This lets STX calculate the outlet pressures and both sides flow rates by setting one
sides inlet mass flow rate and letting the exchangers energy/material balance calculate the other.
For both of these selections there are certain specifications that you must provide for the heat exchangers and
certain values that must be left blank. The tables below illustrate the general set up for each option.
STX Solver Case1 Outlet P T Example

EXAMPLE: STX-Case1.vmp
Overview
In this example a single heat exchanger representing a reboiler has its outlet conditions calculated using the
STX solver. In this situation the default STX parameters given in VMGSim need manipulation in order to find an
attainable solution. In addition, an initial enthalpy for the solution is also used to help initialize the solution.
Below is the PFD for the resulting flowsheet.
Heat Exchanger
For this example the 2 components being used are Water and Cyclohexane. With these selected the APR prop-
erty package can be applied and a heat exchanger operation is created. Below is the defined heat exchanger
view.
Note: A STX case can be attached to heat exchangers operations even without the heat exchanger solved. At
this point the STX geometry can be given and the STX solver can be implemented to find outlet values.
In order to create a STX case first from the Advanced frame set Rating Engine = “STX” the STXLink tab will
appear click there the “Create STX Case” check box in the “STX/ACX Link” tab is checked. At this point the
information can be entered into the STX interface as shown below. Once completed the “Show STX Case”
and then “Calculate” buttons can be pressed to confirm a solved STX case.
Note: The above information was obtained from a HTC test case that was included within the STX installation.
For better detail of the STX case please refer to the associated VMGSim example case.
STX Solver
While running the STX case it can be noted that the percent over design calculated for this thermosiphon
reboiler usually stays above 0.2%. In most cases this would be considered an acceptable value, but the default
tolerance for the VMGSim link is 0.1, which will not allow this case to be solved as easily.
To confirm this, the solver can be switched to a STX calculation mode with the STX geometry now defined.
This is completed by selecting “STX – Outlets P, T” from the “Calculation Mode” pull-down menu found in the
“STX / ACX Link” tab. Once completed the resulting VMGSim view should look similar to the image below.
The message given in the VMGSim message bar shows the STX exchanger reached maximum failure
attempts while trying to solve. This can be handled is several different ways, but in this example the first step to
finding a good solution will be to place the heat exchanger back into normal VMGSim calculation mode. This is
completed by re-selecting “VMGSim” from the “Calculation Mode” pull-down menu.
At this point 2 things will be done to help initialize the STX solver and find an attainable solution. The first will be
to provide an initial outlet enthalpy in the “Out0” port = -12,310 Btu/lbmol. The enthalpy value is almost exactly
what can be seen in the earlier screen shot of the originally solved exchanger and thus is a good starting point.
The outlet pressures of 15.55 and 16.40 psia as given before can also be entered to make the exchanger fully
solve. The second thing to change will be the tolerance of the STX over design percent. The new parameter
value entered will be STX_OverdesignTolerance = 0.5 as shown below.
The original STX solver mode can once again be selected by returning to the “STX/ACX Link” tab, selecting the
STX cases calculation mode as “Design”, pressing the “Show STX Case” and then “Calculate” buttons to
confirm the STX case solves, and then switching the calculation mode drop down menu to “STX – Outlet P, T”
once again. With this complete the heat exchangers “Ports” tab view should look similar to the below image.
With the heat exchanger solved the final STX report details of the case can be viewed and printed by pressing
the “Show STX Case” then “Calculate” buttons in the “STX / ACX Link” tab. The “OK – STX Rating Mode” mes-
sage in the top of the form allows quick reference of what calculation mode a specific heat exchanger is using to
find current outlet conditions.
STX Solver Case2 Flow rate Example

Overview
In this example a heat exchanger’s flow rates are calculated using the STX solver. In this situation the results of
the solved exchanger are necessary downstream and upstream to complete solution of the overall flowsheet.
Below is the PFD of the eventual flowsheet.
Heat Exchanger
For this example only Water is selected as a component in the property package environment. The APR prop-
erty package can then be applied and a material stream operation is created. The defined material stream view
shown below represents spent utility water leaving a plant.
The second material stream that needs to be defined is the cooling water that will be used to cool this plant utility
stream before it is returned for reuse. For this case the information for this second material stream can be
entered as shown below.
No flow rate is given for this cooling water stream as it will be calculated from given outlet conditions in a heat
exchanger within the flowsheet. This will allow the first utility stream returning to the plant to have a set tem-
perature.
The next step is to add an unspecified splitter, which has the plant utility water entering it. The resulting material
ports leaving this splitter will be connected to two heat exchanger unit operations. The cooling water can then
be connected as the other material side to these heat exchangers. The current flowsheet’s PFD should look
similar to the image below with exiting material streams added if desired.
The heat exchanger specifications can now be included with the unit operations having all been created for this
case. The two heat exchanger views are shown below with the specifications all being included. Note that after
this point the flow rate of the cooling water stream has been calculated from Hx1. In addition, both flow rates
exiting the splitter are defined with the one flow rate being specified in Hx1.
STX Solver
At this point a STX case can be added to Hx1. With this completed the evaluation mode can be selected and
information can be given as shown in the image below.
Note: The above information was obtained from a HTC test case that was included in the STX installation. For
better detail of the STX case please refer to the associated VMGSim example case.
With this complete the calculation mode of the exchanger can be changed to “STX – Flow Rates” in the “STX /
ACX Link” tab. It is always important that both flow rates are specified or calculated from within the heat
exchanger operation. If specifications lie elsewhere in the flowsheet that are not set as estimates then con-
sistency error will occur with resulting STX values. The current value of mass flow in the exchanger will also be
taken as an initial starting point for the STX solver.
After a few STX iterations the heat exchanger should solve and come back with values as shown below. In this
case the flow rates have increased showing the conditions at which the exchanger geometry would neither be
under or over designed.
At this point it can be seen that the outlet pressure for side 1 of the exchanger was given a low value with the res-
ulting pressure drop calculated by STX. In the case of side 0 it has no pressure drop as the calculation failed.
This refers to the outlet pressure being calculated by STX being below the minimum allowable outlet pressure
as specified in the “Parameters” tab.
If it is desired that the outlet pressure of side 0 be given a value similar to that of side 1, with no pressure drop,
this can be accomplished by changing a specific STX parameter in VMGSim. In this case setting the “STX_
MinSide0OutletP” = 100 [kPa] in the “Parameters” tab will make the pressure drop similar.
STX Solver Case3 Recycle Example

Overview
This example does not have a write up, but the example case is provided to help understand situations where
STX in-flowsheet solvers are used when recycles are implemented. In some of these situations the resulting
values from the STX calculations are necessary downstream where they will be used to eventually help pop-
ulate one of the exchanger’s inlet material ports.
The overall flowsheet is as shown below. The important feature of this case is the set up of the estimates within
the inlet of the material stream labeled “Cool_Plant_Water”.
Without the estimates of pressure and temperature (or pressure and enthalpy) downstream of Hx1 the
instances when the STX solver is calculating values will leave downstream operations unsolved for that instant.
If these unit operations feed back any of the inlet information to Hx1 the overall flowsheet section will become
unsolved.
HTRI Link
HTRI Live Link
Examples Heat Exchange\HTRICase1a.vmp
Heat Exchange\HTRICase1b.vmp
Heat Exchange\HTRICase2.vmp
Heat Exchange\HTRICase3.vmp
Heat Exchange\HTRICaseAirCooler.vmp
Heat Exchange\HTRIExample1.vmp
VMGSim heat exchangers (including air coolers) support interfacing with HTRI which allows designing, rating
or simulating two-sided heat exchangers or air coolers using the HTRI program developed by Heat Transfer
Research, Inc. (HTRI). This interface currently supports Xist, Xace, Xphe, Xhpe, Xjpe and Xpfe components.
Three options were implemented inside VMGSim: a live link between the two programs, Export to a HTRI input
file and a built-in solver involving HTRI simulation.
File Export
To enable this feature Rating Engine must equal HTRI (expand the “Detailed Rating” frame inside any heat
exchanger’s “Summary” tab).
Once this feature is enabled the “Export to HTRI Input file (.dat)” button in the “HTRI” tab that appears allows
you to generate HTRI input files that can be loaded separately by the HTRI software program. Unlike the HTRI
live link and built-in solver options which require the installation (and dongle key) of the HTRI program, the File
Export option works regardless of whether or not the HTRI software is installed.
Note: This option requires that the heat exchanger be fully solved inside VMGSim.
You can set the heat exchanger type from the drop down list and configure the property generator for HTRI
input file export by specifying the minimum and maximum reference temperature as well as the number of T-P
points in each phase (pure vapor phase, pure liquid phase and two-phase region), and then press "Export to
HTRI Input File (.dat)" button to complete the file export. The HTRI Export for VMGSim heat exchanger sup-
ports the following exchanger types: Shell and Tube, Plate and Frame, Economizer, HairPin and Jacketed
Pipe, while Air cooler type is available in VMGSim air cooler unit operations and Plate-Fin exchanger type is
available in multisided heat exchanger unit operation.
Note: If the total number of points calculated from the property generator grid is less than 30, it will be reset to
blank. Because HTRI input file only accepts either blank (for version 3.0 and 4.0) or 30 (for version 4.0 only) for
the total number of reference temperatures.
If the temperature range or number of points is missing or unspecified from the grid, VMGSim will use a default
settings based on the available information on the heat exchanger.
As an example, a HTRI input file export for the following heat exchanger is generated:
A Shell and Tube exchanger is selected in the “HTRI” tab and the property generator is configured as shown in
the following image:
The “Export to HTRI Input File (.dat)" button is now pressed and it will request a specific export file name and
location as shown below.
Please note that the HTRI Input File Export always uses SI unit set and the case mode would be defaulted to
Rating. The generated HTRI input file generally doesn't have any geometric data records.
In HTRI you can open this generated file (.dat) and the Input summary page would look like the following:
You may notice that for this exchanger some geometric records are missing by purpose and you should supply
these values yourself to solve the exchanger. You may also switch to different case mode or unit set easily in
the HTRI environment.
To review the generated properties just navigate to Hot Fluid Properties or Cold Fluid Properties tab:
The temperature ranges for both hot and cold fluids are exactly the same as specified in the Property Generator
inside VMGSim.
HTRI Live Link

A live link between the VMGSim and HTRI software programs enables information to be passed bi-directional
by calling HTRI proprietary methods inside a VMGSim heat exchanger. Since HTRI seamlessly interfaces with
the VMGSim simulator, VMGSim flowsheets can be developed and solved in the normal manner.
To enable this feature Rating Engine must equal HTRI (expand the “Detailed Rating” frame inside any heat
exchanger’s “Summary” tab).
Note: A live link can be enabled only if the HTRI program is installed in the local computer or through a network
and the HTRI dongle key is plugged. If HTRI program is installed while the key is missing, it may take up to 6 to
10 minutes for HTRI program to confirm and report the missing of the key. If the key is plugged in the detection
should be very quick.
When a new Air Cooler or two-sided Heat Exchanger unit operation is created and users choose to enable a
HTRI live link, VMGSim will check first whether HTRI program is installed and a valid key is plugged. If not,
VMGSim will report a message and the live link check box will be disabled as shown in the image below.
Note: The HTRI live link option requires that HTRI version 3.0 or later to be installed in the computer.
If a valid HTRI key is plugged and detected, a new HTRI heat exchanger network case will be created inside
the HTRI GUI and the live link is successfully established. The HTRI exchanger type is pre-defined in the
"HTRI Case Heat Exchanger Type" drop down list. Similar to the HTRI Export, HTRI exchangers including
Shell and Tube, Plate and Frame, Economizer, HairPin and Jacketed Pipe, while Air cooler type is available in
VMGSim air cooler unit operations.
Note: Once a live link is established, you cannot change the exchanger type for the live link anymore.
The default case mode for a new HTRI live link is "Design" and the default unit set is "SI". You can reset the
case mode to "Rating" or "Simulation" by selecting from the drop down list "HTRI Case Mode", and change the
unit set by selecting US or MKH from the drop down list "HTRI Data Units". The three unit sets available are
HTRI default unit sets. If you don't want HTRI exchanger case to be solved every time a heat exchanger is
solved in VMGSim, just uncheck the "Automatic update of HTRI GUI" check box at the bottom-left corner of the
live link tab. This is useful particularly when the heat exchanger is inside a recycle loop and you don't want the
HTRI to be updated and solved each iteration pass for speed reasons. A text box at the bottom usually includes
two pieces of information. The first line is to indicate the status of the HTRI live link (information propagation OK
or failed) and the second part shows the HTRI GUI run status (HTRI run solved, unsolved, etc.).
You can configure the property generator for HTRI live link through the "Property Generator Configuration"
grids. You can set the maximum and minimum reference temperatures for both sides of the heat exchanger,
and change the number of reference points for one phase region. In addition, with the “Use DP from HTRI”
check box selected, the “Always pass multiple pressure profiles” will pass the generated information at the inlet,
outlet, and average pressures for the hot and cold sides.
Once you have configured or changed entries in the property generator, you can press "Apply to HTRI Live
Link" button to update the information for the live link, and re-solve the HTRI heat exchanger. Pressing
"Cancel" button will ignore any changes you just made to the property generator and cause a refresh to the
grids displayed.
The "Delete HTRI Case" button not only removes the HTRI live link (corresponding to unchecking "Check and
Enable HTRI Live Link"), but also deletes the HTRI case file (.htri) from the computer hard disk (if it is saved
already). This is useful when you want to re-generate a completely new HTRI case instead of loading the saved
case when you enable the HTRI link again.
In order to solve the exchanger in HTRI, we need to supply geometry information inside HTRI GUI. You can
launch the HTRI GUI from VMGSim anytime by pressing the "Show HTRI" button. An example screen shot is
shown below.
Note: All the process conditions and property grids for hot and cold fluids are already filled up and ready to run.
These values are from VMGSim and should not be modified. In fact, once HTRI GUI functionality is ready these
grids will be disabled from editing within HTRI GUI in the future.
Compared with the display of HTRI running independently a couple of differences can be seen. These include:
1. The data unit set menu is not available in HTRI and you can only change Unit Set in VMGSim
2. On the File menu, there are few new menu items:
- Close and Update VMGSim – Closes the current case window, leaves the HTRI GUI window open, and
updates VMGSim.
- Update VMGSim – Updates VMGSim, but leaves the case open.
- Exit and Update VMGSim – Updates VMGSim and closes the HTRI GUI, including any open cases.
Except these differences, all other operations are exactly the same as running HTRI GUI separately. You can
specify the exchanger geometry, navigate between panels, and request help as usual.
Note: That when you run a case only the input specified in the HTRI GUI is used.
Although the exchanger specifications set in VMGSim are usually automatically copied and updated (e.g. The
check box "Always Update HTRI GUI" is checked), they are running two different sets of data.
Whenever you change or specify a geometry value, VMGSim will be automatically updated through the HTRI
callback in Rating and Simulation modes. In Design mode, however, you may need to update VMGSim manu-
ally by using the three new menu items on the File menu.
Note: To be safe, you need to click "Update VMGSim" menu items on "File" menu every time you run a case in
design mode within the HTRI GUI, otherwise VMGSim may not get updated.
Once an exchanger case runs successfully in HTRI with a live link, you can view the complete set of output res-
ults in the HTRI Xchanger Suite “Reports” tab. In addition, specific results are copied back to the VMGSim inter-
face so datasheets printed from VMGSim contain these values. The results for one calculated rating exchanger
case is shown below.
For a live link in an Air Cooler unit operation, the air conditions may be supplied in HTRI GUI or in the VMGSim
air cooler form. The image below shows that the air altitude, air face velocity (may also be flow rate, volume flow
or standard volume flow) and air inlet temperature are specified in Air cooler (AC2) form.
The missing air conditions will be calculated by HTRI and shown in the VMGSim air cooler form once all
required inputs are available and HTRI converges.
HTRI Case Modes

The HTRI GUI can operate in Rating, Simulation, and Design modes. Setting the operation mode can be made
in VMGSim or in HTRI GUI.
Note: Rating and Design modes require that the heat exchanger be fully solved in VMGSim while Simulation
mode doesn't have this requirement.
1. Design
The Design mode calculates the missing geometry, expected heat transfer coefficients, and pressure drops
based on the user supplied geometry information and the fully specified process and property conditions from
VMGSim.
Note: This mode sometimes has no information sent back to VMGSim. In this case you can manually select
"Update VMGSim" in the HTRI drop down menu when finished editing or running a case and are about to
switch back to the VMGSim environment.
Once HTRI received all the process and properties information from VMGSim, users can supply the necessary
geometry data in the HTRI GUI and it will solve to find the best heat exchanger design (e.g. smallest heat trans-
fer area).
Note: In Xace or Xphe you may see different configurations, "Classic Design" and "Grid Design", for Design
mode
2. Rating
The Rating mode in HTRI also needs fully specified process conditions from VMGSim and calculates the
required heat duty, expected heat transfer coefficients, and pressure drops. HTRI then compares these cal-
culations to the required heat duty from VMGSim and reports the difference as under or over design.
3. Simulation
Fewer process conditions are needed from VMGSim in this mode than for Design or Rating. HTRI calculates
expected exchanger performance including heat transfer coefficients, pressure drop, and duty.
In simulation mode, the program adjusts for omitted process conditions until predicted heat duty matches
assumed process conditions. This means that if one specification is missing in a heat exchanger within
VMGSim, HTRI solver is capable of calculating this missing specification based on extra information available
only in HTRI, such as geometry and layout. This calculated process information is then passed back to
VMGSim as an extra specification to fully solve the heat exchanger. In this scenario, the HTRI becomes a cus-
tom solver for VMGSim’s heat exchanger. Therefore this mode provides two ways of live linking:
1. Normal live link:
In this option, HTRI calculates the missing process conditions but does not propagate the values back to
VMGSim.
2. Live link with HTRI as a custom solver for VMGSim:
From the HTRI link tab in a two-sided heat exchanger (or air cooler) form, once you choose "Simulation mode",
a drop down list box "Calculation Mode" is activated and responsible for switching between the above two
options. Once you choose "VMGSim" as the calculation mode, the live link will be working similarly as rating or
design mode except that it doesn't require the heat exchanger be fully solved in VMGSim. The example below
shows that although VMGSim indicates one specification is missing and the unit operation did not solve, the live
link is still established OK and HTRI converges the heat exchanger successfully as well.
When you choose "HTRI" as the calculation option in simulation mode, a build-in custom solver is created and
this involves updating VMGSim with HTRI calculated results. This will be described with more details in the next
section.
Information Passed by VMGSim

The following information is supplied from VMGSim and passed to HTRI:
1. The configuration settings for HTRI GUI, including heat exchanger type (Shell and Tube, etc.), reference tem-
perature ranges, number or reference points, case mode and data unit set, etc.
2. All the necessary process conditions data (may include some air conditions for air cooler units).
Note: You need to specify fouling resistance information in HTRI GUI for all three operating modes.
Hot/Cold properties: The default is to generate 10 reference temperatures for each phase region (gas, liquid
and two-phase).
The image above shows the necessary settings for hot/cold properties. The first two settings "Physical Property
Input Option" and "Heat Release Input Method" are set internally to their proper values as shown in the image
from VMGSim and they should not be altered in the HTRI GUI.
Below are the required Hot/Cold properties from VMGSim:

1. One or three reference pressures in the T&P page. If the allowed pressure drop (uses VMGSim specified dP
if the value is missing) is more that 5% of the inlet pressure (absolute), three reference pressures are required,
otherwise using a single pressure reference (inlet pressure) is acceptable.
2. At least 3 reference temperatures for each pressure, entered in numeric order (increasing or decreasing).
The number of reference temperatures can be altered through the property generator grid.
Note: HTRI treats 0.0 as if no value is entered. To specify a temperature of 0.0, enter 0.001.
3. If the fluid is two-phase, reference temperatures have to cover all three regions (pure vapor, liquid and two-
phase). Again, the number of reference temperatures for each region can be specified in the property gen-
erator grid.
4. Mixture properties and heat release (vapor-liquid equilibrium) information at each reference temperature and
pressure.
HTRI Custom Solver

The HTRI Custom solver can calculate missing process conditions and populate them as new specifications, or
to replace old specifications, for heat exchangers within VMGSim. This can be very useful when evaluating or
optimizing an existing plant. The heat exchanger converged in this way in HTRI will be always within a range of
±1% over design.
Note: The HTRI Built-in Solver option requires that HTRI version 3.0 or later to be installed in the computer.
To use the HTRI custom solver, you need to establish a live link first as described above, including setting
exchanger type, configuring property generator and setting data unit set, etc. You should then set the case
mode to Simulation and the calculation option to "HTRI". A custom solver mechanism should be established
internally and ready to work.
To make HTRI custom solver work, you need to specify which process variable you want the HTRI solver to cal-
culate and populate back to VMGSim. Virtually, HTRI is capable of calculating any necessary properties for
VMGSim. From the available information that can be populated by current versions of HTRI, the following pro-
cess conditions/specifications can be calculated and populated from HTRI to VMGSim:
- Temperature (Inlet/Outlet, Hot/Cold)
- Mass Flow (Hot/Cold)
- Heat Duty
- UA
- Pressure/Pressure Drop (Hot/Cold)
You can choose any item from the first 4 properties and decide whether or not to use the pressure drop cal-
culated by HTRI. This can all be done in VMGSim by checking any item in the HTRI Simulation grids.
Note: Sometimes you may not see a full list of the above items in VMGSim as some of these items are cal-
culated by VMGSim already and cannot be altered.
As for the pressure drop updating, if you already specified both inlet and outlet pressures for both sides in
VMGSim, and you chose to use the pressure drops calculated by HTRI, the custom solver would firstly remove
the outlet pressure specifications and fill in the specifications on the pressure drop using the values calculated
by the HTRI solver. If you decide not to use this option, just uncheck the "Use DP from HTRI" check box.
For a live link within an air cooler operation, none of the air conditions such as inlet or outlet temperature etc.
can be solved and passed from HTRI back to VMGSim as a specification. These have to be supplied as input in
either the HTRI GUI or VMGSim form. When HTRI is used as a custom solver for an air cooler, the air con-
ditions calculated within HTRI GUI do get passed back as calculated values for the corresponding signal ports.
The image below shows that the AirCoolerAltitude, AirFaceVelocity and AirInletTemperature ports are spe-
cified in VMGSim, and the rest of the air conditions signal ports are calculated by HTRI.
Changing/Configuring any settings above in VMGSim will automatically trigger a solve for HTRI custom solver,
however if you are making some changes from HTRI (e.g. geometry), it will not re-solve the heat exchanger
after the change. In this case you need to manually press the "Re-solve" button in the VMGSim operation’s
HTRI tab to trigger a solve.
Sometimes a HTRI simulation solver may not be able to converge and the following tips may help you converge
the exchanger:
1. Check the reference temperature ranges to make sure that they are enough to cover all possible iteration
points
2. There are cases that certain specification cannot give unique results, such as outlet temperature spec for a
boiler. In these cases you may consider using Heat Duty as they can always give unique results for a heat
exchanger.
3. There are cases that if certain specifications are missing, you cannot tell the hot and cold side anymore in a
two-sided exchanger. It might be useful to supply an initial value for the specification being solved by the HTRI
custom solver.
HTRI Live Link Example

EXAMPLES: HTRICase1a.vmp, HTRICase1b.vmp
Overview
This example shows step by step how to build a heat exchanger with a HTRI live link in VMGSim so the heat
exchanger can be rated or designed in the HTRI program simultaneously.
Heat Exchanger
Start a new project in VMGSim, choose the defaulted APR property package, and add water as the only com-
pound. Create a heat exchanger unit operation with the specifications as below.
You can see that this heat exchanger is fully solved. To Enable the HTRI as rating engine open the “Detailed
Rating” frame and set Rating Engine equal to HTRI as below.
Now the heat exchanger operation form has a new tab named HTRI.
HTRI Live Link

Before creating the HTRI live link, we first define the Exchanger type to be "Shell and Tube" (default) in the drop
down. Now click on the "Check and Enable HTRI Live Link" check box and a HTRI live link is established and a
HTRI exchanger instance is created in the HTRI GUI.

At this moment all the process information has already been copied to the HTRI GUI and filled into the cor-
responding grids. If you inspect the HTRI GUI further you also notice that all the properties are also filled in for
three hot side reference pressures and one cold side pressure. This is because the hot side pressure drop (6
kPa) is >5% of inlet pressure (103.4 kPa) while cold side is less.
The default operation mode for HTRI link is design mode. In the geometry section of the Input page there are
two red grids (wall thickness and pitch) that you need to supply values yourself, all other geometries are auto-
matically filled in with default values. But to make this small heat exchanger more reasonable, reduce the geo-
metry to tube Length = 2.438 m, tube OD = 6.35 mm, tube pitch = 8.75 mm and select wall thickness = 0.559
mm. At this time, HTRI input window would look similar to the image below.
HTRI indicates the input is complete and you can press the Run case button in the HTRI GUI to solve the heat
exchanger. It can be seen from the "Program running" window that HTRI starts iterating and eventually is con-
verged to the following results.
After the exchanger instance converges, you need to press the "Update VMGSim" menu item on the File menu
(this is necessary for design mode).
Now you can inspect the some of the key results shown in the HTRI link page in the heat exchanger form as
shown below.
This case was stored as HTRICase1a.vmp.
You can switch to Rating mode in VMGSim or through the HTRI GUI by clicking on the Rating mode radio but-
ton. Once done a message in VMGSim states that the HTRI run failed and in the HTRI GUI you are asked to
supply the shell side ID and Spacing and/or tube count so HTRI can start rating the heat exchanger geometry.
Enter a Shell ID of 200 mm and Spacing of 30 mm and leave the tube count grid blank and you will get the fol-
lowing results.
Obviously this heat exchanger is over designed and one may consider reducing the number of tubes (specify
with a number), increase baffle pitch, etc.
Finally, if you decide to choose plate and frame exchanger for the above heat exchanger, you may click "Delete
HTRI case" button to remove the old Shell and Tube exchanger case. From the “HTRI Case Heat Exchanger
Type” drop down select "Plate and Frame Exchanger" and then check the “Check and Enable HTRI Live Link”
check box. A New plate and frame exchanger is created in HTRI. After switching to Rating mode fill in a few
geometry records as follows:
Plate Type = Horizontal Herringbone
Plate Manufacturer = Tranter
Plate ID = UFX-100
Channels per pass = 1
The case can now run and the rating results for this heat exchanger configuration are shown in the following
image.
This case was stored as HTRICase1b.vmp.
HTRI Custom Solver Example 1

EXAMPLE: HTRICase2.vmp
Overview
In this example a two pass heat exchanger system will be used to heat up a methanol stream using hot water.
Heat Exchanger
Start a new project in VMGSim, choose APR as the property package and add two compounds: Methanol and
Water. We will start by creating the feeds for the first exchanger. The hot water will be a recycle stream, since
an estimate for this stream will be needed to solve the first exchanger. These streams will look as below.
These will now have to be connected to a new heat exchanger, as shown below. S1 is connected to the tube
side, with S2 connected to the shell side. This exchanger will be a TEMA type BEM exchanger, therefore the
name will be changed to BEM.
HTRI Custom Solver

Now set the Rating Engine = HTRI.
Create a new HTRI link for a Shell and Tube exchanger type. Configure the property generator and case-
/calculation mode settings as shown in the following image.
With these settings, HTRI will also calculate the pressure drops for the heat exchanger. Before defining the
missing specification, it is recommended that you go to the HTRI GUI to fill in the missing geometry records first.
For the example, entries can be given as follows:
Shell Fouling Resistance = 0.000344 m3 K / W
Tube Fouling Resistance = 0.000172 m3 K / W
TEMA Type = B E M
Shell ID = 500 mm
Tube length = 4.877 m
Tube OD = 25.4 mm
Tube Pitch = 32.0 mm
Layout Angle = 30
Tube Passes = 8
Tubes = 106
Wall thickness = 1.651 mm
Baffle Orientation = Perpendicular
Baffle Cut = 25% ID
Baffle Spacing = 250 mm
With the above configuration and enough process conditions from VMGSim, this exchanger case is ready to
run in HTRI. Lastly, the missing specification you want the HTRI solver to provide needs to be defined. From
the list of VMGSim specifications in the grid which can be replaceable by HTRI calculation results, you can vir-
tually select any one item to let the HTRI solver calculate. We will select "OutTube.T" as our specification. After
selecting "OutTube.T” the HTRI custom solver starts calculating and the exchanger will be converged to the fol-
lowing results.
The HTRI simulation solver, once successfully converged, will always converge the exchanger to a range of
±1% of percent Overdesign.
If you now inspect the VMGSim spec list, you will now see only three items which can be replaced by HTRI cal-
culated results. The missing three items EnergyLost_Tube_Q0, OutShell.T and UA0_1 are now calculated val-
ues and cannot be altered by the custom solver anymore, unless you uncheck the currently selected spec.
The fully solved heat exchanger unit operation is shown below. It has both pressure drops and tube outlet tem-
perature calculated by the HTRI custom solver.
We will now have to add the additional streams, as well as the second exchanger. These streams will be con-
nected as shown below. The second exchanger will be a BEU type, so it will be named accordingly.
Stream S6 will need to be specified as the inlet stream. It will be specified as below.
The BEU exchanger will need to be specified in a similar manner as the BEM exchanger. The input values for it
will be shown below.
Shell Fouling Resistance = 0.000344 m3 K / W
Tube Fouling Resistance = 0.000172 m3 K / W
TEMA Type = B E U
Shell ID = 400 mm
Tube length = 3.658 m
Tube OD = 19.05 mm
Tube Pitch = 25.0 mm
Layout Angle = 90
Tube Passes = 6
Tubes = 116
Wall thickness = 1.651 mm
Baffle Orientation = Perpendicular
Baffle Cut = 25% ID
Baffle Spacing = 200 mm
"OutTube.T" will be the selected specification for the BEU exchanger, just as with the BEM exchanger.
Once the "OutTube.T" is selected as the required specification, the exchanger will solve, updating the recycle
stream, S2. Then, the recycle will continue to converge, solving the exchangers automatically. The results of
the converged case are shown on the stream datasheets on the PFD below.
HTRI Custom Solver Example 2

EXAMPLE: HTRICase3.vmp
Overview
This example shows a heat exchanger in a recycle loop and this exchanger has its outlet temperature solved by
a HTRI custom solver. The overall flowsheet as well as some key process conditions are shown below.
To make this flowsheet solve, you need to estimate the recycle stream, including temperature, pressure, and
compositions.
HTRI Custom Solver

The heat exchanger named "Hx1" has been set up and solved by HTRI solver to decide its tube outlet tem-
perature, and its pressure drops also calculated by the HTRI solver, as shown in the following images.
Note: When an operating condition changes, the recycle will be re-solved after a few iterations and the custom
solver will seamlessly solve for different outlet temperatures in the heat exchanger during each recycle iteration.
For more details please check the example case.
HTRI Air Cooler Example

EXAMPLE: HTRICaseAirCooler.vmp
Overview
This case simulates a propane condenser using an air cooler operation, which has the outlet process tem-
perature solved by the HTRI custom solver. Please refer to the example case for details.
VMGSim Rating
Heat Exchanger Rating
Main Flowsheet
PFD Stencil
Examples Heat Exchange\VMGSimRatingCase1.vmp

Heat Exchange\VMGSimRatingCase2.vmp
The heat exchanger operation contains a built-in rating function as an alternative to the HTRI and STX live
links. This rating feature does not have the extent of options or complexity found in the externally linked soft-
ware packages, but does allow for the prediction of shell and tube pressure drops and an overall UA value.
Built-in pressure drop and film coefficient multiplier signal ports to the rating equations also enable the user to
match plant data. In this respect, the rating tool is not meant for the design stage and should be used for rating
purposes only.
Note: Both inlet material ports and the geometry of the 2-sided exchangers must be fully defined for the heat
exchanger rating solver to function.
Configurations
All standard TEMA Shell and Tube type exchangers are available in the rating mode with or without transverse
fins. Any split flow shell configurations will divide inlet and outlet material flow rates evenly between inlet and
outlet nozzles.
Double pipe exchangers are also available through the “Shell” TEMA options. When this shell type is selected
many of the rating options that are not applicable will be hidden from view.
To enable the rating function, select the “VMGSim” option from the Rating Engine heading contained in the
“Detailed Rating” frame on the “Summary” tab.
Tube Side Pressure Drop Calculation

The tube side pressure drop calculation in the exchanger combines four separate terms as shown below. The
summation of these terms is then multiplied by the tube pressure drop multiplier signal value (default value =
1.0).
Where,
DPlength = Pressure drop of all tube length passes plus equivalent length for all U-tube sections (if multiple tube
passes are specified with U-type), as defined in Crane Technical Paper No.410M (1999). Either a 1 or 2-phase
pressure drop correlation can be used and is selected from the “Rating” tab as shown below.
DPcontract = the pressure drop due to the contraction of material at the front end as fluid enters the exchanger is
calculated using the homogeneous model (Hewitt et al., 1994). A homogeneous multiplier in the calculation
accounts for 2-phase situations.
DPexpand = the pressure drop due to expansion of material in the rear end as fluid leaves the tubes of the
exchanger is also calculated using the homogeneous model (Hewitt et al., 1994). The homogeneous multiplier
used in the contraction calculations is also used to account for expansion in 2-phase situations.
DPnozzles = inlet and outlet tube nozzle pressure drops are calculated if the nozzle diameters are provided and
the “Include Nozzle Pressure Drops” option is selected. The calculations are based off methods by Kapale and
Chand, (2005).
Note: If “Set_To_Minimum_P_Value” is selected then the outlet pressure will be consistent with the minimum
pressure drop value given for the associated tube side on the rating flowsheet.
Shell Side Pressure Drop Calculation

E-Type Shell
The shell side pressure drop for E-type shells takes the form shown in the following equation. The terms of the
shell side calculation are multiplied by the shell pressure drop multiplier signal value (default value = 1.0) and
the nozzle pressure drop term is calculated with the same methods as on the tube side. For split flow exchanger
types all multiple inlet or outlet nozzles are assumed to be the same diameter.
Where,
DPapparent = The apparent shell side pressure drop is calculated according to the steps outlined in Peters and
Timmerhaus (1991) for transverse flow across tubes. These calculations take into account baffle cut and pitch,
if applicable. The calculations also account for triangular and square tube layout geometries.
RLeakage = The shell side leakage correction factor which accounts for leakage between the tube-to-baffle and
shell-to-baffle clearances. This leakage correction factor, as outlined by Bell (1973), is used to model these
effects on pressure drop based on clearance values provided in the rating input.
RBypass = The bypass correction factor which accounts for effects on the shell side pressure drop when fluid
passes through the shell-to-bundle clearances. This bypass correction factor, as outlined by Bell (1973), is
used to model these effects based on clearance values provided in the rating input.
G-Type, H-Type, and J-Type Shells

For these split flow exchangers the pressure drop is calculated similar to that of the E-Type shell configurations
with the exception that internal flow rates are split appropriately. Shell cross flow areas are also adjusted for lon-
gitudinal baffles found in G-Type and H-Type options and assumed to split the area evenly. Average velocities
in the shell side will be reported in the output results as calculated according to the split flow shell configurations.
X-Type and K-type Shells

Only transverse flow is considered internally for pressure drop when X-type or K-type shells are selected. The
pressure drop calculation follows the method outlined by Hewitt et al. (1994) for cross flow in tube arrays and is
composed of both an acceleration term and a frictional term.
The equation, which expresses both terms with respect to velocity head, uses the estimation methods for the
acceleration term as outlined in Kays and London (1984). This accounts for the entry and exit pressure losses
related to the tube bundle based on free flowing cross sectional area.
The friction term (generalized as a correction factor) accounts for the Reynold’s number and tube layout as out-
lined in the Heat Exchanger Design Handbook (1983).

When transverse fins are selected on the tubes within a heat exchanger the pressure drop calculation follows
methods outlined in Engineering Sciences Data Unit (1984) for low-fin tubes. For high-fin tubes the methods in
Engineering Sciences Data Units (1986) are used. These methods are limited in best accuracy to Reynold
numbers roughly between 500 and 100000.
Note: Calculations for pressure drops in all shell types assume there are no pass partition gaps in the tube
bundle.
Overall UA Value
If two fluid phases are present, the number of exchanger sections should be increased to improve UA pre-
dictions since the heat exchanger unit operation receives a UA value from the exchanger rating mode. The
overall UA value predicted by the rating mode is calculated using the following equation,
Where,
U = The overall heat transfer coefficient that accounts for both shell and tube heat transfer film coefficients (hs,
ht), both shell and tube fouling factors if provided (fs, ft), and the tube material heat transfer rate (k) with a given
tube thickness (xw). The equation used for this calculation is shown below (Perry and Green, 1997). It can be
seen in the equation below that the tube fouling factor is given with respect to the inside area of the tube.
In the “Output” values given within the rating tab the “U Value” provides the fouling, or actual, heat transfer coef-
ficient including all “Rating Multiplier” effects. The “Corrected U Value” also includes the “F Correction Factor”
to the overall heat transfer calculated.
Ao = The available surface area, which is calculated as the total surface on the outside of the tubes including
the area on the U-tube sections if multiple passes and U-type rear cover are specified.
Fcorr = This correction factor accounts for configuration effects for multiple tube passes. Plotted references for
this factor can be found in literature including Kern (1950), Holman (1997) and Perry and Green (1997).
Overdesign Percentage
When multiple tube passes are specified the resulting configuration allows reverse heat transfer zones to form
as tube flow switches from counter-current to co-current, with respect to the shell material, as shown in the fig-
ure below.
When reverse heat transfer zones occur, the rating mode removes the extra surface area associated with this
zone and reports an overdesign percentage in the calculated output.
Shell and Tube Rating Options

Several options are offered in order to better represent the heat exchanger configuration being modeled. The
following section discusses each of these.
Sealing Device = this option can be used if sealing devices (i.e. corbels, half dummy tubes) are to be
installed inside the exchanger shell. This reduces the amount of bypass around the tube bundle.
Tube
Tube Material = Different tube materials can be selected and the thermal conductivity value used to calculate
UA will change accordingly. Note that the effects of tube material are usually small and can be ignored com-
pletely by setting the material selection = “Ignore_In_UA_Calc”.
Pitch Type = Triangular or square pitch tube bundle layouts are available. Note that the layout will affect both
the shell side pressure drop and heat transfer rates.
Pitch = The distance from tube center to center is entered in this cell. Pitch values typically range from 1.25 to
1.50 times that of the tube outside diameter (Peters and Timmerhaus, 1991).
Tubes Per Pass = The number of tubes used in each pass within the exchanger.
Passes = This value indicates the number of tube passes within the exchanger. Values given above 2 should
be even (i.e. 2, 4, 6, 8, etc.) as the Fcorr value is calculated assuming even values.
Length Per Pass = The length of each tube pass, excluding the U-tube sections, which are calculated internally
based on the shell’s diameter and other configuration factors.
Baffle Radial Clearance = The tube-to-baffle radial clearance. This input is only used when baffles are included
in the exchanger’s configuration.
Shell
Baffle Type = Single, double, or triple-segmental baffles can be selected for any exchangers that include
baffles. Both pressure drop and heat transfer effects on the shell side are considered through internal changes
to tube row cross flow.
Baffle Cut = The fraction cut from the baffles to allow for passage of shell side fluid. The basis of this baffle cut
value in area or diameter is dependent on the "Baffle Cut Basis" selection. The recommended values usually
range between 15 and 45% diameter cut (Perry and Green, 1997). Baffles are always considered vertical cut
orientation and are not included in the exchanger configuration if a value of 0.0 or 1.0 is given.
Baffle Pitch = Distance between baffles. Baffles are not included in the exchanger configuration if a value of 0.0
or a value greater than the tube length is given.
Baffle Thickness = Thickness of baffles. This value is used if the "Include Baffle Thickness Effects" automatic
calculation is selected. Baffle window flow rates and flow fraction calculations are dependent on this entry if
used.
Bundle Radial Clearance = The bundle-to-shell radial clearance. This input is only used in calculations when
baffles are included in the configuration.
Baffle Radial Clearance = The shell-to-baffle radial clearance. This input is only used in calculations when
baffles are included in the configuration.
Note: Baffles are removed if either X-type or K-type shells are selected.
Automatic Calculations
Use TEMA Clearance Standards = If exact clearances for the exchanger rating are not known this option can
be selected. This will generate automatic clearance values based on TEMA guidelines. These calculated val-
ues are based off the shell diameter, tube outside diameter, baffle pitch, and rear cover type. When this option
is selected the baffle thickness will also be automatically calculated based off TEMA standards.
Calculate Shell Diameter = This option estimates a reasonable shell diameter that allows the given number of
tubes, with given tube pitch, to fit for the number of tube passes entered.
Include Nozzle Pressure Drops = Ignoring the pressure drops across the inlet and outlet nozzles can be done
by un-checking this option. In this situation the nozzle diameters do not need to be provided for the rating cal-
culations to start.
Include Baffle Thickness Effects = This option should be used if baffle thickness considerations are important to
the exchanger's performance. Shell side flow fractions will only be provided in the "Detailed Output" results
frame when this option has been selected due to calculation dependencies. If an automatically estimated baffle
thickness value based off TEMA standards is preferred the "Use TEMA Clearance Standards" option can be
used.
K-Type: Estimate Bundle Diameter = This option only affects K-type shell configurations and estimates the
internal tube bundle diameter within the shell based off tube number, pitch, and layout. If not selected the tubes
rows will be spaced to fill the shell diameter and result in a reduced shell side heat transfer rate.
Fins
Fin Type = The type of transverse fins to be used on the tubes can be selected here. Options of fins include
single or overlapped L-foot, grooved in, extruded, welded-soldered, and metal-coated. The type of fins selec-
ted effects the fin efficiency calculation, overall surface area, shell side pressure drop, and average velocity of
material through the shell side.
Fin Material = This option selects the material used to make the fins. The metal type selected changes the prop-
erties used for internal calculations related to the fin’s heat transfer such as the thermal conductivity.
Fin Height, Thickness, and Spacing = These entries define the geometry of the fins being used for the
exchanger’s configuration.
Note: Low-fin to high-fin transition within the internal heat transfer calculations occurs between 0.2 < (Fin
Height / Tube Outside Diameter) < 0.33.
Rating Multipliers
Tube/Shell dP Multiplier = These values entered will be multiplied directly with the overall internally calculated
pressure drop values of the tube and shell sides respectively.
Tube/Shell Film Multiplier = These values entered will be multiplied with the heat transfer coefficients on the
tube and shell sides respectively. A film multiplier used on the side with the highest heat resistance (i.e. lower
HTC value) will always have more sensitivity.
Results
Area = The total outer surface area of the tube bundle is shown here. In U-tube configurations the surface area
related to the U-tube sections is also included in this resulting value.
Area Ratio = This value is the ratio of total outer tube surface area exposed in the heat exchanger divided by the
bare tube surface area. In configurations with no fins this value will equal one.
U Value = This value gives the U value as described in the Overall UA Value section without the multiplication of
the F correction factor.
MTD (Corrected) = The LMTD multiplied by the F correction factor for the heat exchanger geometry con-
siderations is given as this variable.
Average Wall Temperature = An average wall temperature is provided accounting for equalized heat flux on
the tube and shell sides with given heat transfer resistances. Internal heat transfer calculations that rely on wall
temperature property estimations will make use of this resulting wall temperature.
Tube/Shell Volume = The volume of the tube side (including U-tube volume if applicable) and the shell side
(with removed tube volume) are provided in these values.
Tube/Shell k = This variable is the K pressure drop factor that is calculated by the resulting volumetric flows and
pressure drop across the tube or shell side. This value can be used as a specification in dynamic mode to cal-
culate resulting pressure drops assuming a general orifice or servo flow equation.
Tube Sensible/Condensing/Boiling Surface Area = Associated surface area percents going through different
phase type heat transfer within the tubes in the heat exchanger unit is provided here. If a specific heat transfer
type mechanism, for example boiling of a fluid, is not encountered than that surface area will be given a value of
zero.
Shell Sensible/Condensing/Boiling Surface Area = The surface area percent for different phase type heat trans-
fer on the shell side is provided in these variables.
Shell Stream A/B/C/E/F = The calculation of flow stream fractions in the shell side of the heat exchanger is
shown in these variables and follows the figure and definitions given below.
Stream A = Tube-baffle hole leakage, Stream B = Main cross flow, Stream C = Bundle bypass
Stream E = Baffle-shell leakage, Stream F = Pass-partition bypass
The internal calculations for the shell stream flow fractions follow Willis and Johnston (1984) and provide a use-
ful tool in realistic checks within a heat exchanger unit.
Heat Transfer Film Coefficient Zones

The method used to calculate heat transfer film coefficients is dependent on the area of interest (shell side or
tube side) and the heat transfer mechanism(s) involved (eg. sensible heating, condensing, and boiling).
Given an initial tube side and shell side temperature the internal rating solver determines the temperature at the
tube wall using an iterative procedure. Note that the wall temperature is assumed to be constant. The fol-
lowings figures show an example of the temperature at each iteration and the temperature profile within an
exchanger.
In situations where heat transfer correlations need material properties at wall temperature the internal solver
tracks radial changes in temperature as shown in the example below. This radial temperature prediction
becomes an iteratively calculated value as other properties increase or decrease towards a converged value.
An assumption of a constant wall temperature, or no temperature profile within the tube wall, is made.
The tube and shell sides are internally segmented into heat transfer zones and the relevant calculations are per-
formed for each of these sections (including transition regions). The various heat transfer zones and cor-
responding methods to determine heat transfer film coefficients are given in the following sections.
Tube Side Sensible Heating

Laminar Region
The heat transfer film coefficient in the laminar region is calculated using the Sieder and Tate equation as
shown below.
Turbulent Region
The Sieder and Tate equation used for laminar flow was adapted for the turbulent region using the equation
given below. This equation can also be used for the laminar to turbulent transition region (Reynold’s number
between 1900 and 2300).
The original equation used a coefficient of 0.027. However, 0.023 was found to be more applicable for water,
organic fluids, and gases at moderate DT (Peters and Timmerhaus, 1991).
Tube Side Condensing

There are two major flow mechanisms to be considered when estimating liquid film thickness at the tube wall
during tube side condensing: shear controlled flow and gravity controlled flow (as shown in the figure below).
The shear controlled region is further divided into laminar or turbulent flow.
The overall equation for the condensing region is given below.
The UG* value, or Wallis parameter, is used to determine the annular (laminar to turbulent transition) versus
stratifying flow (gravity controlled) regions in the tubes (Palen et al., 1979).
Stratifying Region
The film coefficient for the stratifying region is calculated using solutions developed by Chaddock (1962) and
Chato (1957). In this method the drainage region within the tube is predicted using a void fraction given by
Jaster and Kosky (1976). Using this void fraction, the average film coefficient can be calculated for both the
drainage area and stratified layer assuming the stratified layer effects are negligible with respect to the drainage
region. The overall basic equation is shown below where W represents the void fraction.
The formation of vapor bubbles within the film region will reduce the overall heat transfer. In order to account for
this influence, mixing effects due to vapor formation are considered when calculating the liquid thermal con-
ductivity resulting in more conservative heat transfer film coefficient values.
Annular Region
Annular conditions occur in the transition from laminar to turbulent flow where the liquid film Reynolds number
range from 50 to 150. The annular film thickness is usually greater within the turbulent region and therefore has
greater effect on the predicted heat transfer coefficient.
The heat transfer coefficient for laminar flow conditions in the annular region is calculated by first determining
the wall shear stress, film thickness, and film flow per unit width. The shear stress calculations require the pres-
sure drop over given lengths of tube sections. The pressure drop correlation presented by Friedel (1979) is
used since it properly accounts for physical property effects (Hewitt et al., 1994). The general film coefficient
equation in this region can then be represented by the following equation,
The heat transfer coefficient for turbulent conditions is also estimated using the wall shear stress and the
Friedel correlation. Td+ is determined using the explicit relationships given by Kosky and Staub (1971), which
are based on the apparent film Reynolds number.
Tube Side Boiling

Both forced convection and nucleate boiling conditions are accounted for within the tube side boiling regions.
The maximum heat flux is also calculated in case this becomes the limiting factor for heat transfer. An image
depicting these different regions is shown below.
There are many accepted correlations for nucleate boiling available in literature. These include Forster-Zuber
(1955), Rohsenow (1952), Mostinskii (1963), Bier et al. (1983), and Cooper (1984). However, due to very sens-
itive factors, such as wall surface behavior, the resulting heat transfer film coefficients for given exchanger con-
ditions can differ by an order of magnitude between the methods mentioned. This will affect the resulting heat
transfer values and any available data should be matched with the values predicted from the correlations in
order to select the correct correlation for each given situation.
Nucleate boiling and forced convection are typically involved when boiling occurs in the tube side fluid. Steiner
and Taborek (1992) cite several approaches that may be used to account for the effects of each phenomenon.
The method outlined by Chen (1966) is used, where both the suppressed nucleate boiling and suppressed
forced convection terms are summated to determine the overall heat transfer film coefficient, as shown in the
equation below.
Suppressed Forced Convection

The method used to calculate the initial forced convection term for the liquid is based on the general Dittus and
Boelter (1930) equation, as shown below.
The resulting value is multiplied by a suppression factor that is determined by calculating the Lockhart-Martinelli
parameter using the Blasius equation to determine the friction factor. The resulting trends were similar to those
given by Chen (1966); these were then fitted to a relationship developed by Butterworth (1979), which is used
in the internal calculations.
Suppressed Nucleate Boiling

The initial heat transfer coefficient for the nucleate boiling region is calculated using the Forster-Zuber cor-
relation. The general equation is shown below, where the saturated pressure difference is determined by
rearranging the Clapeyron-Clausius equation.
Note that suppression of nucleate boiling is shown through physical evidence to be caused by increased quality
and mass flux (Hewitt et al., 1963)
Maximum Heat Flux

A warning message will appear in the rating area if heat transfer is constrained by a maximum heat flux. This
situation is usually due to physical limitations on the tube side. The maximum heat flux for the tube side is cal-
culated using the Merilo method (1973) using the general equation shown below.
Where, jH is the calculated Ahmad scaling parameter.
Shell Side Correction Factors

Correction factors, to account for the effects of baffle configuration, bypass, and leakage on shell side heat
transfer film coefficients, are calculated within the rating mode. The calculated ideal heat transfer coefficient is
then multiplied by these factors (JC, JL, and JB), as shown in the following equation,
If baffles are not included in the exchanger configuration these correction factors are ignored.
Baffle Configuration Factor

The methods outlined by Bell (1973) are used to calculate the baffle configuration factor. Note that this method
is suitable for baffle cuts ranging between 15 and 45% and may not be effective outside this range.
Leakage Factor
The methods outlined by Bell (1973) are also utilized to compensate for leakage between the shell-to-baffle and
tube-to-baffle clearances.
Bypass Factor
The bypass correction factor calculation given by Bell (1973) is used to account for material that bypasses the
tubes through the bundle-to-shell clearance.
Hydraulic Diameter
If the shell does not have a circular cross section, the equivalent hydraulic diameter can be calculated using the
flow area and the wetted perimeter, as shown in the equation below. Note that this method also accounts for
the bundle-to-shell clearance area, dbs.
Shell Side Sensible Heating

Baffles
The ideal sensible heat transfer film coefficient for the shell side is calculated using the Bell-Delaware method
(Hewitt et al., 1994). The generic equation for transverse flow across tubes is given below.
This equation accounts for tube layout configurations as well as temperature differences from the wall to the
bulk fluid.
No Baffles
If no baffles are specified within the exchanger, the flow within the shell is not completely transverse to the tubes
as assumed in the above equation. In this situation, the sensible heat transfer is calculated as a combination of
parallel and transverse flow effects. The contribution from each model is dependent on the length to diameter
ratio of the flow pathway, as shown below.
The calculation for the parallel flow effects follows the Sieder and Tate (1936) method that makes use of the
hydraulic diameter calculation.
In cases where the TEMA X-type shell is selected the above equation reduces to the form where only the trans-
verse contribution is used.
Shell Side Condensing

The Nusselt method (1916) is used to calculate the mean heat transfer coefficient (hs) for condensing fluids on
the outside of tubes where,
This equation is further modified to account for the effects of falling liquid, i.e. the effective film coefficient
decreases as the liquid layer on the lower tubes increases due to condensation falling from above. The cor-
rection factor used to account for this effect was suggested by Kern (1958). Note that this method assumes that
shear effects from the vapor flow do not affect the resulting values.
Shell Side Boiling

Laminar Region
The method used to determine the tube side heat transfer coefficient for laminar flow (Chen, 1966) was also
used to calculate the shell side heat transfer coefficient, i.e. the suppressed nucleate boiling and suppressed
forced convection terms are summated.
Maximum Heat Flux

A warning message will appear in the rating area in situations where heat transfer is constrained by a maximum
heat flux (caused by a physical limitation such as temperature difference). This maximum heat flux value is cal-
culated using the Lienhard and Dhir method (1973) and uses the general equation shown below.
K-Type Shell
When the TEMA K-type shell is selected the shell boiling side calculations are always taken as pool boiling. In
this respect the suppressed nucleate boiling and suppressed forced convection terms are replaced by a single
pool boiling term where the maximum heat flux limitation is still checked.
Transverse Fin Calculations

The overall shell heat transfer coefficient for transverse fin situations takes the general form of the equation
shown below.
In this equation the efficiency of the fins, hf, is calculated using a modified one-dimensional solution from
McQuiston and Tree (1972), which attempts to take into account the Bessel function behavior associated with
these types of solutions. An additional correction factor is also included that accounts for tapered versus rect-
angular fin types given in Zukauskas (1981).
Low-Fin Heat Transfer

The method used to determine the shell side heat transfer coefficient for in-line and staggered low-fin con-
figurations follow those outlined in Engineering Sciences Data Unit (1984).
High-Fin Heat Transfer

When staggered tube arrays are selected the method used to determine the shell side heat transfer coefficient
for high-fin configurations follows those outlined in Engineering Sciences Data Unit (1986). The methods
defined by Schmidt (1963) are used for high-fin configurations when in-line tube arrays are selected.
Multi-component Considerations
Liquid and vapor phase properties can change significantly with composition in multi-component systems.
These effects are accounted for in all rating calculations in each of the respective regions.
In boiling and condensing sections it is assumed that heat transfer is not altered by mass transfer rates. This
can cause the resulting film coefficients to be over-predicted in some situations, such as when non-con-
densable gases exist within a condensing region. For this case and others, the heat transfer multiplier should be
used in order to match any available experimental or plant data.
Rating Parameters
When the “VMGSim” rating mode has been selected parameters become available to the user in a “VMGSim
Rating” frame in the Settings tab to allow for more customized solutions. A description of each of these para-
meters follows.
Solve From Last Converged

Activating this option will use the last exchanger rated solution to initialize the next calculation. This option will
only trigger for situations where the last solution did not have any existing overdesign.
Tolerance
This parameter specifies the minimum amount of variable change in one iteration before the rating solver is con-
sidered to be converged. The variables included are: the Fcorr factor, overdesign percentage, vapor fraction in
the shell and tube, and temperature in the shell and tube.
Max Iterations
This parameter sets the number iterations that will be attempted in the rating mode solver. In the case where
the maximum number of iterations is surpassed, the exchanger will return as unsolved with a warning message
displayed in the rating area message bar.
Forced Conv Iterations

This parameter sets the number of iterations allowed to pass normally before increasing the damping on each
step until a solution is forced. This value should be set to a value roughly 20 iterations lower than the Max Iter-
ations for situations where a solution is always desired.
Min Side0 Outlet P” & “Min Side1 Outlet P

This parameter sets the minimum allowable pressure outlet values for the associated shell (side 1) or tube (side
0) side. The outlet pressure will remain at this original value in instances where the exchanger rating mode cal-
culates values less than the given value.
VMGSim Rating Case 1: Max Heat Flux Example

Overview
In this example an exchanger with tube side condensing and shell side boiling is rated using the rating feature.
The flowsheet is represented by a single 2-sided heat exchanger as shown below.
Heat Exchanger
Select the Advanced Peng-Robinson property package and add components propane, n-butane and n-
pentane. Enter the flow sheet environment and add a 2-sided heat exchanger operation. The exchanger
should be defined as shown below.
Exchanger Rating
At this point, expand the “Detailed Rating” frame by clicking the node and select “VMGSim” rating from the “Rat-
ing Engine” parameter dropdown menu. The exchanger will iterate a couple of times and will return as fully
solved. This is due to default values automatically given for geometry in the rating engine. Improved results can
be obtained by altering the geometry to those given below.
Note that the number of segments was default to 5. As mentioned previously, the accuracy of the UA cal-
culation results will improve with increased number of segments in cases where non-linear profiles occur. This
is particularly true for this example where a phase change occurred in both the tube and shell side of the
exchanger.
Also note that the “Pressure_Drop_Calc” parameter was changed to the “TwoPhase” pressure drop cor-
relation above in order to account for the tube side condensing material.
Finally note the rating message at the top of the “Rating” tab, where it states that the shell side is constrained by
the maximum boiling heat flux. As the Lienhard and Dhir method (1973) is used for this prediction, the message
will always trigger when these types of internal constraints are reached.
VMGSim Rating Case 2: Matching Example

Overview
In this example, data will be matched for an exchanger using the exchanger rating feature. Select the APR
property package with components: water, n-docosane, n-tricosane, and n-tetracosane. Enter the flow sheet
environment and add a 2-sided heat exchanger operation. In this case the exchanger will be defined as shown
below.
Select the “VMGSim” rating option under Detailed Rating (click node to expand menu). This will result in a
solved exchanger. Change the geometry under the “Rating” tab as shown below. This set up will represent the
configuration of the exchanger to be matched at the plant site.
Unfortunately in this project the plant did not provide clearances between the tube-to-baffle, shell-to-bundle,
shell-to-baffle, or the baffle thickness. These values are very important since they affect leakage and bypass
effects in the exchanger. Selecting the “Use TEMA Clearance Standards” option under the “Automatic Cal-
culations” frame, as shown below, will provide estimates of these values.
Note that TEMA clearance standards will change depending on outside tube diameter, inside shell diameter,
operating pressure, and TEMA type front and rear heads selected for the exchanger rating.
It is known from plant historical data that the exchanger runs with a shell side pressure drop of ~3.8 psi and a
tube side pressure drop of ~3.0 psi and the UA that is calculated from data is reported to be ~165000 Btu/hr-F.
In order to match these better between the simulated exchanger and the plant site exchanger, expand the “Rat-
ing Multipliers” menu in the “Rating” tab view and enter the values given in the following figure.
With the exchanger solved using the above values the pressure drops and calculated UA values now match the
plant conditions, as shown in the following figures for the “Summary” and “Rating” tabs.
A general report of any exchanger rating case can also be printed or copy/pasted from the “Report” tab. These
results can be listed in the current case’s unit set, or in the standard SI or US API 660 unit sets.
Hydrate
Hydrate
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Information Operations\Hydrate.vmp
General
The Hydrate unit operation calculates the hydrate formation pressure or temperature of natural gas hydrates.
The following hydrate inhibitors can be used: Methanol, Ethanol, EG, TEG, PEG and Glycerol.
The following hydrate forming compounds are supported:
l Methane l 2,2-Dimethyl-1-Pentane
l Ethane l 2,3-Dimethyl-1-butene
l Propane l Methylcyclopentane
l Isobutane l Methylcyclohexane
l n-Butane l Ethylcyclopentane
l Nitrogen l Cyclopropane
l Hydrogen Sulfide l Cyclopentane
l Carbon Dioxide l Cyclohexane
l Neopentane l Cycloheptane
l Isopentane l Cyclooctane
l Benzene l Ethylene
l Cis-1,2-Dimethylcyclohexane l Acteylene
l 1,1-Dimethylcyclopentane l Propylene
l 2,2-Dimethylbutane l Xenon
l 2,3-Dimethylbutane l Ethylene Oxide
l 2,2,3-Trimethylbutane l Carbonyl Sulfide
l 3,3-Dimethylpentane l Sulfur Dioxide
l 3,3-Dimethyl-1-Butene l Methyl Mercaptan
The values of the material Inlet or Outlet are not modified by the hydrate unit operation; it will only use the avail-
able information to calculate the hydrate formation information and then propagate the appropriate information.
The Advanced_Peng_Robinson for Natural Gas property package should be used for Hydrate calculations.
Message Bar
Place the cursor over the message bar to see detailed information regarding hydrate condition calculation.
Double click the message bar to bring up the details in a separate window.
Hydrate.
Summary Tab
Data
The following is what the Data Frame would look like with all of the available calculated values activated.
Is Formed
Indicates whether a hydrate would form at the given stream conditions. If there is no check contained in the
check box a hydrate will not form and if there is a check contained in the check box a Hydrate will form.
Formation T
The Hydrate formation temperature for the specified pressure.
Formation P
The Hydrate formation pressure for the specified temperature.
Formation App T
The difference between the Material temperature and the hydrate formation temperature.
Formation App P
The difference between the Material pressure and the hydrate formation pressure.
Activate Data
The parameters in this frame define the type of calculations performed by the hydrate unit operation. A check
mark in the check box will cause the value to be calculated.
Calc Saturation
Calculate saturation will saturate the stream at the specified temperature and pressure with water. This sat-
urated composition will be used for calculating both the hydrate formation temperature and hydrate formation
pressure.
T Active
Activates/Deactivates the Formation T calculation. Active by Default.
P Active
Activates/Deactivates the Formation P calculation. Active by Default.
App T Active
Activates/Deactivates the Formation App T calculation. Active by Default.
App P Active
Activates/Deactivates the Formation P calculation. Not active by Default.
Mode
The hydrate calculation can be performed assuming that the process stream is either saturated or unsaturated
with water. This variable defines the type of saturation calculation used when estimating hydrate formation. The
default value is Auto. The Mode option is only available when Legacy Mode is being used.
Saturated
Assumes that the mixture is saturated with water for the formation of the hydrate.
Unsaturated
Estimates the hydrate formation based on the water content of the mixture assuming that it is not saturated.
The calculation may fail if the phase is not stable.
Auto
Automatically decides between the "Unsaturated" and "Saturated" algorithms. The "Unsaturated" calculation is
taken as the answer if it provides a stable result; otherwise, the "Saturated" calculation is used. A mixture with
no water will always perform a "Saturated" calculation. This option allows the user to monitor hydrate depres-
sion based on level of dehydration.
Material
Settings
Solve During Flowsheet Iterations

This option will not solve this unit operation until the entire flowsheet has been solved and recycles/controllers
are converged. This setting is ignored if any part of the flowsheet depends on the values from this calculation
block (e.g. passing a valute to a process calculator). The default is to not solve during flowsheet iterations.
Use Legacy Mode

Legacy Mode will revert the calculations to the hydrate calculations performed in VMGSim 7.0 and older. This
will allow the Mode option to be made available. In versions of VMGSim older than 7.0 the Mode option is no
longer used as the specific composition of the unit operation will be used for the hydrate calculations.
Mode
Mode provides the same options as are available from the Activate Data frame, as described above.This vari-
able is visible when Use Legacy Mode is set.
Calculate Hydrate Equilibrium

Calculates the fluid's phase equilibrium accounting for the hydrate (solid) phase. Results are displayed in the
Equilibrium Results tab under "Hydrate Fluid".
Hydrate equilibrium will not be calculated when inhibitors are present in the fluid. This option is only visible when
the property package is APR for Natural Gas.
Equilibrium Results
View the equilibrium results for the port selected in the drop down menu.
Hydrate Example
In this example we will calculate the hydrate formation pressure of a sweet natural gas. Create a new VMGSim
project, add an Advanced Peng Robinson for Natural Gas property package with the following components:
methane, ethane, propane, isobutene, n-butane, nitrogen, and carbon dioxide. Switch the unit set to Field.
Create a Hydrate unit operation and specify the In port as shown below.
Notice that since there is no water in the inlet stream the hydrate operation will not be able to calculate the
hydrate formation conditions. Therefore, as the message suggests, "Calc Saturation" should be turned on. To
do this, open the "Active Data" node and check the "Calc Saturation" box.
This will saturate the stream with water at 50 °F and 100 psia and then calculate the formation conditions at the
saturated stream composition. This will provide the results below.
For this case the predicted hydrate formation pressure at 50 °F is 367.13 psia and as such, a hydrate will not
form at the stream conditions, indicated by the lack of a check mark in the Is Formed check box in the Gas/Liq
Hydrate Formation frame. The value reported by the GPSA using Katz’s simplified method is 305 psia at 50 F
and the experimental hydrate formation pressure was reported to be 325 psia.
Alternatively, if the saturated composition which is being fed to the hydrate is desired to be known, the feed to
the hydrate unit operation can be manually saturated using the saturation unit operation first. If this is done, the
saturation unit op will provide the saturated composition below.
This feed will provide the same hydrate formation results as using the "Calc Saturation" option.
Hydrate Dynamics
Hydrate - Dynamics
Main Flow sheet
PFD Stencil
Examples
General
The Hydrate unit operation calculates the hydrate formation pressure or temperature of natural gas hydrates.
The following hydrate forming compounds are supported: Methane, Ethane, Propane, Isobutane, and n-
Butane, Nitrogen, Hydrogen Sulfide and Carbon Dioxide.
The following hydrate inhibitors can be used: Methanol, Ethanol, EG, DEG, TEG and Propylene Glycol.
The values of the In or Out material port will not be changed by the hydrate operation, it only uses the available
information to calculate the hydrate formation information and then propagates the information to the appro-
priate port.
Please see the VMGThermo section for a complete discussion on the theory behind the Hydrates module.
The Advanced_Peng_Robinson property package should be used for Hydrate calculations.
In dynamics, the calculations are performed on a cycle when the integrator is running.
Summary (Tab)
Data
Is Formed
A boolean / check-box indicating whether hydrates would be formed at the inlet conditions
Formation T
The highest temperature at which hydrates would form (assuming the current pressure and composition)
Formation P
The lowest pressure at which hydrates would form (assuming the current temperature and composition)
Formation App T
The delta T (safety margin) between the current temperature and the Formation T. Negative values indicate
hydrates are present, and the temperature would need to increase to eliminate hydrates.
Formation App P
The delta P (safety margin) between the current pressure and the Formation P. Negative values indicate that
hydrates are present, and the pressure would need to decrease to eliminate hydrates.
Active Data
Mode
[Needs Description]
Props Cycle Time

The cycle time for performing the Hydrate calculations when the integrator is running. This is used because the
hydrate calculations are computation intensive.
Is Formed Active
Flag to indicate whether check for hydrates is required
T Active
Flag to indicate whether calculation of Hydrate Temperature is required
P Active
Flag to indicate whether calculation of Hydrate Pressure is required
App T Active
Flag to indicate whether calculation of Formation Approach T is required.
App P Active
Flag to indicate whether calculation of Formation Approach P is required.
Shortcut Hydrate
Calculate the hydrate values using just the vapor composition. This is faster and also makes the hydrate tem-
perature less sensitive.
As the approach temperature goes to zero, the shortcut and rigorous methods will match.
Material Summary

Liquid-Liquid Extractor
Liquid-Liquid Extractor
Main Flow sheet
PFD Stencil
Examples Towers - Distillation\Extractor.vmp
General
The Liquid-Liquid Extractor Unit operation models an ideal liquid-liquid extraction unit. These are staged oper-
ations that are used to separate liquid mixtures that present partial miscibility. For example, acetic acid and
water can be separated using distillation, however the relative volatility of the mixture is small and a large num-
ber of trays is necessary. A way to reduce capital costs is to use an extraction agent (Solvent) to separate the
mixture (Feed) into a water rich (Raffinate) and an acetic acid rich (Extract) phase in a liquid-liquid extractor.
A schematic diagram and the connections of the extractor can be viewed by clicking the Schematic / Con-
nection node.
Summary (Tab)
Main Data
The Main Data frame will contain the following specified or calculated information by default.
Number of Stages
The number of theoretical stages in the Extractor, the default value is 5.
Material
Shows the connected objects and information for the material ports.
Feed
The liquid mixture whose components are to be separated.
Solvent
The stream that contacts the Feed to remove the solute.
Extract
The solvent rich product stream.
Raffinate
The residual product stream with the solute removed.
Settings (Tab)
Numerical Settings
Contains all the necessary convergence controls for the Liquid-Liquid Extractor
Reset
Resets the liquid-liquid extractor.
Max Error
Maximum error in the material and energy balance equations for the liquid-liquid extractor.
Max Num Iterations

Maximum number of iterations for convergence of the liquid-liquid extractor, the default value is 40.
Max Recycle Step

Maximum recycle step.
Recycle Method
Pull down menu with the following options: Boyden, Wegsten, SuccesiveSubstitution
Max Controller Iter

Maximum number of controller iterations.
Controller Method
Pull down menu with the following options: Boyden, Secant, and Bisection.
Use Hierarchy Solver

Check box to enable or disable the use of the hierarchy solver.

View the equilibrium results for the port selected from the pull down menu.
Profile (Tab)
Allows selected properties to be viewed for each stage. The defaults are temperature and pressure.
Add/Remove
Allows additional properties to be added/removed to/from the Profile Table. The > and < adds or removes the
selected properties and the >> and << button will add or remove all of the available properties.
Plot (Tab)
X-Variable
Pull down menu to change the x-axis variable being plotted.
Y-Variable
Pull down menu to change the y-axis variable being plotted.
Plot Window
Plot Control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Liquid Liquid Extractor Example

Liquid-liquid extractors are used to separate mixtures that present partial miscibility. In this example, we want to
use a liquid-liquid extractor to separate an equimolar mixture of acetic acid and water. Although acetic acid and
water can be separated using distillation, the relative volatility of the mixture is small so a large number of trays
would be required. Instead, an extraction agent can be used to separate the mixture, at reduced capital costs,
into a water rich phase and an acetic acid rich phase.
One potential extractive agent is Methyl Isobutyl Ketone (MIBK), and the experimental LLE diagram for this mix-
ture at 20 °C is shown below.
LLE for Acetic Acid (1) / MIBK (2) and Water (3) (Ratkovicz et al.; J. Chem. Thermodynamics, 1991, 23, 859)
If we draw the mass balance line connecting the feed (equimolar mixture of acetic acid and water) and MIBK it
is evident that we do not cross the liquid-liquid phase boundary and so extraction is not possible. Therefore
MIBK is an unfeasible solvent for this mixture for the given feed composition and ordinary temperatures.
Toluene is another possible solvent.
LLE for Acetic Acid (1) / Toluene (2) and Water (3) (Ratkovicz et al.; J. Chem Thermodynamics, 1991, 23, 859)
The mass balance line goes inside the liquid-liquid phase boundary and therefore liquid-liquid extraction is feas-
ible for this mixture.
Start a new VMGSim Case and select a UNIQUAC property package with Water, Acetic Acid and Toluene as
the components. Rather than clicking Ok to exit the property package selection environment, click Apply and
then click the Kij button to edit the UNIQUAC interaction parameters. For this case, the Virtual Materials
Regression package Regression++ was used to determine a set of optimal UNIQUAC interaction parameters
for the acetic acid, toluene and water system.
Specify the interaction parameters for acetic acid, toluene and water as shown below.
Click OK to leave the Kij editing form and then click OK to leave the property package selection environment.
Switch the unit set to SI.
Create 4 material streams named Feed, Solvent, Extract and Raffinate. Specify the Feed and Solvent streams
as shown below.
Feed Solvent
Temperature (C) 20 20
Pressure (kPa) 100 110
Molar Flow (kgmole/h) 10 1
Mole Fraction Water 0.5 0
Mole Fraction Acetic Acid 0.5 0
Mole Fraction Toluene 0 1.0
Now create a liquid-liquid extractor with 5 stages and connect the material streams to the appropriate ports in
the extractor. The extractor will solve and appear as below.
Makeup
Makeup
Main Flow sheet
PFD Stencil
Examples Piping and Flow\MakeupUnit.vmp

Flowsheeting Examples\MDEAExample_Makeup.vmp
Flowsheeting Examples\TEGCase_Makeup.vmp
General
The makeup unit operation can be used to determine the amount of material that needs to be added to a system
to maintain a circulation rate and compensate for the losses from vaporization, entrainment or other sources.
The material stream that is added to the system is called Makeup.
The Makeup unit operation has two modes,
In the first mode, the "Specify Circulation Solvent" is true. It is used to specify the outlet total flow and the outlet
composition of a list of key components. The composition of the makeup stream is back calculated based on
these specifications. This is the default for Amine systems.
For example, in a typical amine plant with MDEA and PIPERAZINE the typical specifications required would be
a flow rate and the composition of MDEA and PIPERAZINE. By default, the pressures are assumed equal in all
streams and the outlet temperature is assumed to be the same as the inlet. Pressure and temperature behavior
can be configured in the Settings tab.
In the second mode, "Specify Circulation Solvent" is false. This mode acts similarly to a mixer. It is commonly
used when the make up composition and the circulation rate are known. The solution algorithm is based on an
energy and material balance therefore different combinations of specifications can be used as long as the
degrees of freedom are satisfied.
Makeup.
The Connection cells can be used to manage connections to the makeup. For example a stream can be created
and automatically connected to the Makeup by typing the desired name into the connection cell and then press-
ing enter.
You can also make connections by selecting an empty connection cell and either selecting the desired con-
nection from the list available in the pull down or by selecting Browse.
Four Streams can be attached to a Makeup unit: In, Out, Makeup and Balance. Makeup represents the stream
which should be added to the plant and Balance is the stream which should be removed to satisfy the material
balance.
Summary (Tab)
Main Data / Configuration
Out Q
Duty required to satisfy the energy balance. This variable can be calculated or specified.
* This unit operation does not need to solve the whole energy balance to be considered solved. It only requires
enough information to fully calculate the outlet.
Delta P
Visible when Pressure Calculation Mode is set to Delta P in the Settings tab. It can be used to specify or cal-
culate the pressure drop across the unit based on,
Delta P = Out P - min (Input P, Makeup P)
The Out pressure is assumed to be equal to the pressure of the Balance material port.
Specify Circulation Solvent

Enables user to specify the composition of a user defined list of components in the circulating stream (Out port).
The frames "Circulating Solvent Configuration" and "Species Concentration Specification" become available
when this option is selected.
Circulating Solvent Configuration
Outlet Concentration Basis

Pull down menu that sets the basis of the target outlet composition.
Balance Makeup With

This is the component that is used to balance the make up stream to match the concentration specification.
WATER is the only option in this version.
Is Fresh Solvent
True if solvent specification is only relative to WATER.
When set to false, the target species specifications are equal to the outlet composition.
Out Flow Specification

Shows Out flow specification. This can also be used as a manipulated variable from a controller to match a load-
ing by changing the circulation rate.
Species Concentration Specification

This frame is used to specify the concentration of the ey components coming out of the unit operation. The basis
is selected in the Outlet Concentration Basis field (Mass %, Mole %, etc).
The list of components to specify is configurable. For amine flowsheets it automatically selects the typical com-
ponents.
* WATER should never be selected when operating in this mode.
Material
Shows all of the inlet ports and the outlet ports included in the Makeup unit operation.
Settings (Tab)
Settings
Pressure Calculation Mode

Defines the behaviour for pressure related calculations
All P Equal
Default. All the ports (inlet and outlet) are assumed to have the same pressure. Only one pressure is required to
calculate any of the missing pressures.
Delta P
Calculates pressures based on Delta P where,
Delta P = Out P - min (Input P, Makeup P)
The Delta P variable is exposed in the Summary tab when ths mode is selected.
Temperature Calculation Mode

Defines the behaviour for pressure related calculations
Out Equal to In
Default. The outlet temperature is assumed to be equal to the inlet temperature. The Make up temperature inde-
pendent from this setting and can be specified or calculated after Out Q is specified.
From Energy Balance

The temperatures from all the ports are calculated from an energy balance as soon as enough degrees of free-
dom are satisfied. For example, specify Out Q, inlet Temperature and makeup temperature.
Makeup Examples
MakeupUnit.vmp
This example shows the application of the Makeup unit in two condition of the "Specify Circulating Solvent"
option being true or false. The effect of "Is Fresh Solvent" is also shown in this example.
MDEAExample_Makeup.vmp
This is the same example as in the MDEAExample.vmp case described in the "Amine Sweetening Plant
Tutorial Using MDEA" section. This example shows replacement of the Excel Unit Operation with a Makeup
unit. In this case the "Specify Circulating Solvent" option is true
TEGCase_Makeup.vmp
This is the same example as in the TEGCase.vmp case described in the "Gas Dehydration using TEG" and
"Process Calculator Example" documentation. This example shows replacement of the Process Calculator
with a Makeup unit. In this case the "Specify Circulating Solvent" option is false
Makeup Example 1
In this example we will use the Makeup unit operation to calculate the Makeup and Balance streams for a spe-
cified Input and Output .
Create a new VMGSim project and select the Amines property package with Water, MDEA, and Piperazine
components. Switch the unit set to Field.
Create two streams and configure one of them as shown in the table below.
S1
Temperature (F) 77
Pressure (psia) 40
Water Mass Fraction 0.67
MDEA Mass Fraction 0.3
Piperazine Mass Fraction 0.03
Now add a Makeup operation, MU1. By default when using the Amine property package it will come out con-
figured for the most typical set of specifications. For this first part of the example we will uncheck "Specify Cir-
culating Solvent" from the "Main Data / Configuration" frame. Specify the outlet mole flow from the "Out Flow
Specification" to 23 lbmole/h and the Makeup composition to pure water.
Attach S1 to the In and S2 to the Out ports respectively.
Now the unit operation is solved. If you are interested in closing the energy balance you can now provide a tem-
perature for the Makeup or a value for Out Q. In this case we will specify the Makeup temperature as 100 F.
In the above example the "Specify Circulating Solvent" option was not selected.This specification mode could
not be used in a systems where there are meaningful solvent losses like in amine systems.
Add a new stream, S1_1, and set its temperature, pressure, flow and composition the same as S1.
Add another Makeup, MU2, and set S1_1 as its In port
MDEA and Piperazine are selected as the components in "Species Specification" by default. Remove
Piperazine from the list of selected components.
Uncheck the "Is Fresh Solvent" setting from the "Ciculating Solvent Configuration" frame
Set 35 for the target mass% of MDEA
Set the Out flow mole flow to 23 [lbmol/h] . The Makeup unit will be solved.
As shown in the flowing picture, MDEA and WATER are added to the make up to meet the target species mass
percent.
If you check "Is Fresh solvent" option then the 35% of MDEA is calculated relative to Water only. Thus you can
see in the following picture that the out mass fraction of MDEA becomes slightly different from 0.35.
Makeup Example 2
In this example the MDEACase, which is built in "Amine Sweetening Plant Tutorial Using MDEA" , is used to
show how the Makeup unit can be used in this case. This example shows the application of Makeup unit when
the "Specify Circulating Solvent" option isTrue.
Open the MDEA example which can be found in the Examples folder, file Flowsheeting
Examples\MDEAExample.vmp
Now delete the Excel Unit Operation, Water_Balance_Calculator and Make_Up_Water material streams. Also
delete Mixer M1
Add a Makeup Unit and connect From_Cross_Exchange to its In port.
Your flowsheet should be similar to the following figure.
Enter 800 gal/min as the Std Liq Volume Flow of the Out Flow Specification in the Makeup unit operation as
shown below,
The flow could also be specified in the outlet stream but it is more convenient to keep this specification right in
this frame to visualize all the main specifications in the same form.
Enter 45% MDEA in fresh solvent for the spec in Makeup . The flow and concentration specifications are taken
from the Lean_Amine stream. The Makeup unit is now solved
The next step is to reconfigure the controller that manipulates the circulation rate to match a specification for the
rich loading coming out of the absorber. In the original example it is connected to the recycle stream and we will
reconnect it to the Makeup circulation rate.
Ignore the controller and disconnect its OP.
Now open the Lean_Amine material stream form then delete the stdLiqVolume Flow that controller has put in
the Main Data frame and set the Std Liq Volume flow equal to 800 gal(US)/min in the material port of the
stream.
close the loop by connecting the stream To_Pump to the outlet of the Makeup unit operation.The flowsheet is
solved.
For using the controller it should be noted that the lean amine flow is set by the Makeup unit,therefore we need
to connect the OP of the controller to the outlet flow from the Makeup. You can do this right from the controller
form,
After setting the OP, set the Max. Step Size to 0.5 ft3/s and un-check the ignored toggle on the controller form.
Makeup Example 3: TEG Case
In this example the case TEGCase, is used to show how the make up stream in this TEG case can be cal-
culated using the Makeup unit instead of either process calculator or calculation by the mixer. In this example
"Specify Circulating Solvent" option has not been selected.
Open the TEG example which can be found in the Examples folder, file Flowsheeting Examples\TEGCase.vmp
First delete M1 mixer.
Add a Makeup unit , MU1and connect the stream Regenerated_TEG to the inlet of the makeup, the TEG_
Makeup stream to the Makeup port and the outlet to S2 as shown below,
Now your Flow-sheet should looks like the following picture
Finally, specify the mass flow outlet of the Makeup unit operation as 80 lb/h.
The flowsheet should now be solved.
Material Stream
Material Stream
Main Flow sheet
PFD Stencil
Examples Streams\MaterialStreams.vmp
General
A Material Stream provides a path for material to be transferred between unit operations. It allows a means for
data to be propagated from its In material port to its Out material port without being altered. It also provides the
ability to create signal ports in the stream to access information about the material stream, such as Cp, vis-
cosity, and thermal conductivity, to name a few.
Material streams are also recommended to specify material recycle ports.

Although any material port can be set to work as a recycle, the material stream has a few additional interface
features to make it more conducive to recycle management. For example, the stream's In port can be tagged as
a recycle using the "Is Recycle" checkbox at the top of the form.
Summary (Tab)
Material
By default shows the inlet port of the Material Stream.
The user has the option to toggle between this view and a Recycle Summary view when the material stream is
a recycle.
Recycle Detail (Tab)
This tab is visible when the material stream is a recycle. It contains further details and advanced solver settings.
Refer to the Recycles in VMGSim section for further information.

View the equilibrium results for the port selected in the pull down menu. The "Extended" checkbox displays an
extended set of physical properties.
Line Sizing (Tab)

Line Sizing
Line sizing is not activated by default. By selecting the ‘Activate Line Sizing’ check box, the line sizing inform-
ation is available. This allows the information for the piping that the stream will flow through to be entered. The
Colebrook correlation is used for the calculations inside the line sizing.
Variables
Once the stream is specified, only the pipe roughness and either pressure drop per 100 feet, inner diameter or
velocity must be specified to size the line.
Dp/100ft
The pressure drop per 100 feet through the line. This value is initialized by default and includes kinetic and
potential energy losses.
Inner Diameter
The inner diameter of the line.
Roughness
The roughness of the line. This value is initialized by default.
Re
The Reynold’s Number of the fluid flow through the line.
Velocity
The velocity of the fluid through the line.
Angle
Angle of pipe used to define inclination (counter clockwise) e.g.,
0 deg assumes horizontal pipe (default)
90 deg assumes vertical pipe with flow going up
-90 deg or 270 deg assumes vertical pipe with flow going down
Friction Factor [Dynamics]

Friction Factor calculated using the selected pressure drop correlation.
Pressure Drop Correlation

Correlation used when doing the pressure drop calculations. See the Pipe Segment section for more inform-
ation.
Holdup
Volumetric fraction of liquid in the line. Visible when using a non slip multi phase pressure drop correlation.
Flow Regime
Flow regime of the multiphase flow. Visible when using a non slip multi phase pressure drop correlation.
Erosional Velocity
Erosional Velocity is not activated by default. The information becomes available by selecting the ‘Activate Ero-
sional Velocity Limit’ check box. The erosional velocity limit assists line sizing in two phase hydrocarbon
pipelines. The calculation uses the American Petroleum Institute’s Recommended Practice for the design of off-
shore production platform piping systems (API-RP-14E).
A velocity limit is calculated as a function of density above which erosion corrosion is deemed to be excessive.
The velocity limit is dependent on the flow conditions. The erosional velocity limit is calculated using the equa-
tion below, the constant C is defined by the flow condition.
Where,
ver = Erosional velocity limit
C = Constant dependent on flow conditions [lbm0.5 ft-0.5 s-1]
C = 100, Continuous service, no sand present
C = 125, Intermittent service, no sand present
C < 100, Sand Present
150 < C < 200, Corrosion is controlled with inhibitors or special alloys
ρ = Bulk density
Variables
Flow Regime
The flow condition of the pipeline. All conditions are assumed to be two phase. The flow regime determines the
erosional velocity constant. ‘User Specified’ can be select to directly specify a constant.
Constant
Function of pipe material and wall thickness, erosive and corrosive content of the fluid, frequency of pipe usage.
Erosional Velocity Limit

Recommended velocity limit for two phase hydrocarbon regimes to prevent excessive erosion corrosion.
Spec From
‘Spec From’ allows an entire stream, or just certain properties, to be specified in one stream from another. By
pressing the ‘…’ button, a selection form is opened.
Any material port can be selected to specify a material stream from. Pressure, Temperature and Mole Flow are
the default properties that are selected for specification but the selection can be changed. Compositions is
always specified.
Once a property is specified, a new button appears that allows the properties to be refreshed. When the ori-
ginal properties are altered, they are not automatically propagated to the specified form. Pressing the refresh
button allows these properties to be altered as well.
Settings (Tab) [Steady-State}

This tab is used for generic settings for the material stream.

This check box allows the material stream to be included or not in the ‘Material Stream Summary’.
Settings
Retrograde
When enabled this setting searches for any secondary solutions to a vapor fraction specification in the material
stream. These secondary solutions for retrograde materials, as shown on the right side plots below, are in the
form of higher temperature or pressure solutions.
Note: If the vapor fraction specified does not pass the quality line in the envelope twice as in the example plots
there will be no secondary retrograde solution.
Normal and retrograde solution for pressure and vapor fraction specifications:
Normal and retrograde solution for temperature and vapor fraction specifications:
Detailed View
This variable is used to define if the stream should be displayed as one material port (default) or if it should expli-
citly show all the material ports. Note that the values in all the material ports are always the same but their status
(calculated, specification, etc) and connections are different.
Auto
Automatically decides the optimal view. It shows as one summarized port when there are not cloned material
ports otherwise it shows the detailed view with all the ports and connections.
Always
Always shows the detailed view with all the ports and connections. The following image shows the detailed
view of a stream with one cloned port (Out_1) connected to /H2.In. Note that this view displays a checkbox to
enable and disable recycle ports. A recycle port could be enabled in the summarized view by adding a spe-
cification with a ~ preceding its value.
Never
Never shows the detailed view.
Refinery Data
This box activates the Refinery Tab (see Refinery (Tab) section for more information).
Natural Gas Data

This box activates the Natural Gas Tab (see Natural Gas (Tab) section for more information).
User Information
P&ID
Used for reporting purposes. For example, this variable can be used as the display name in Visio instead of the
stream name or in summary sets, Visio datasheets, etcetera.
Fluid Description
Used for reporting purposes.For example, this variable can be used in summary sets, Visio datasheets, etc.
Eq. Results Configurations

Include Bulk Liq. in Eq. Results
By checking this box, the bulk liquid phase is included in the Equilibrium Results Tab.
View Component Free Compositions

This box enables a frame that allows the calculation of a set of compositions that can exclude components selec-
ted by the user.
The name of the composition slate can be customized (for instance, Hydrocarbon Free) and the results can be
seen in the Equilibrium Results tab in Extended mode.
Settings (Tab) [Dynamics]

This tab is used for generic settings for the material stream.

This check box allows the material stream to be included or not in the ‘Material Stream Summary’.
Settings
Retrograte
Unused in Dynamics
Detailed View
Unused in Dynamics
Calc PF Spec Der

Enables calculation and reporting of pressure/flow derivatives.
Split Hint
Provide a hint to the simulator that this stream is a good candidate for splitting the calculation across multiple
CPUs.
Recording Mode
Set the recording mode of the stream. Exposes the Record/Play tab.
Off
Normal Operation
Playback
At each integrator step, the recorded data will be loaded into the stream for the calculation
Record
At each integrator step, the current conditions in the stream will be stored.
Source Active
Toggles whether this source stream participates in the solution. Only defined for source streams--streams with
no upstream unit op.
Well Deliverability
Enables wellhead curve specification.
Record/Play (Tabs) [Dynamics]
Selection
Recording Mode
Set the recording mode of the stream.
Display
Toggles which set of recorded data is displayed: Pressure/Flow (P/F) or Composition (Comp)
Edit Data
Enables manual editing of the data. Edit the "Recorded Points" field to adjust the number of rows.
Linearly Interpolate
Force linear interpolation of the data. Useful for coarse, external data.
Recorded Points
The number of recorded data points. Edit to adjust the number of rows in the data set.
Sulfur and Amine Detail (Tabs)

When the Claus or Amines property packages are used in VMGSim, an additional tab becomes available in
material streams. This tab allows Sulfur Detail or Amine Detail to be activated in the stream. These tabs
provide the same information that can be found in a Sulfur or Amine Detail unit operation.
Refinery (Tab)
The Refinery tab is available in any Material Stream when an oil assay is characterized in the active property
package (see Oil Characterization section for more information on how to characterize assays). The main pur-
pose of this tab is to show oil distributions and special physical properties common to the Oil industry.
If an oil assay is not present in the property package and a user wants to inspect the Refinery tab, then it can be
activated from the Settings tab.
Elemental Analysis
The Elemental Analysis frame shows the distribution of the different atoms present in the components of a
stream. The Elemental Analysis of a stream is calculated by means of the chemical formulas of their com-
ponents. If the composition of a stream is known, the mass or mole fraction can be employed to calculate the
mass or mole content of each element present in the stream based on the number of atoms of the elements in
each compound and their atomic weight.
The Elemental Analysis can be seen in Mass or Mole Content or Mass or Mole Flows (in the case that a flow is
specified in the stream), as well as Water Free Content or Flows.
User Oil Distribution

The User Oil Distribution frame shows all the Oil Characterization content curves bulk information that does not
belong to an elemental distribution, for instance: Ash fraction, Aniline Point, Bromine Number, etc.
PIONA Analysis
The PIONA Analysis is the Paraffin, Iso-Paraffin, Olefin, Naphthene and Aromatic content in mass, mole or
volume basis of the stream mixture.
Refinery Properties
The Refinery Properties frame shows the most common special properties that can be calculated in the Oil
industry.
Flash Emissions (Tab)

The Flash Emissions tab shows emissions from the material stream based on the component flows.
Refer to the Emissions with VMGSim section of manual for more details.
Natural Gas (Tab)

The main purpose of this tab is to show Natural Gas Special Properties and contents of some components.
The Natural Gas tab will be shown if the selected property package is APR for Natural Gas. If a different prop-
erty package is active, the tab can be activated using a toggle in the Settings tab.
Natural Gas Properties

The Natural Gas Properties frame shows bulk special physical properties that are based on the composition of
the stream.
NGL Content
The Natural Gas Liquids (NGL) Content (also defined as Liquid Content or GPMaccording to the GPSA Data
Book) is property that is based on the definition of the hydrocarbon liquids (C2+ or C3+). This property can be
also found in the Special Properties unit operation.
The NGL Content calculation is described in the Section 16 from GPSA Data Book 12th Edition (SI and Field
Versions). The definition of this property is the volume of recoverable liquid hydrocarbons in a stream divided by
the volume of gas. This calculation traditionally meant to apply to propane and heavier compounds (C3+) but is
often used to include ethane (C2+). The calculation is only made for hydrocarbons based on the selected
liquids definition. The definition of the hydrocarbon liquids can be set on the NGL Content Definition box.
Component Content
The Component Content tab shows the content of some compounds in a material stream; they are shown in
units that are common to the Gas industry.
Saturation
The Saturation tab shows different definitions of the Dew Point and Vapor Pressure of the Material Stream.

Either clone an In or Out material port or create a signal port.

Delete a previously cloned or created port from the material stream. There must be a cloned or created port to
have any options available with this button.
Pipe Selection
Allows a pipe to be selected from a list of standard pipes sizes and added to the pipe segment. Clicking the Pipe
Selection button will bring up the following form. Click on the desired pipe displayed in the list, select the appro-
priate roughness and click Ok to add the dimensions to the pipe segment.
Material
Source
Type
Roughness
Drop down menu that allows the material of the pipe to be selected. To enter a user defined value for rough-
ness, type a value in either the mm or inches roughness textboxes, the other textbox will be filled with the appro-
priately converted roughness value. If no choice is made, a roughness value will not be added to the pipe
segment and a value must be added manually in the Energy/Signal port area.
Pipe Selection List

Material Stream Example

In this example we will use some of the features of material streams.
propane, and n-butane. Switch the unit set to Field. Create the flowsheet below.
Specify the cooler as below.
Now, the cooler, S2 and S3 are specified. To specify S1, use ‘Spec From’. To do this, open S1 and press the
button next to ‘Spec From’.
This will bring up the following form.
Any intensive property can be specified. For this case we will specify the enthalpy and flow rate of S2. Open
the S2 node, and select the In material port. Since S2 is a material stream, either the In port or the Out port can
be selected and provide the same results. Now hold the ‘Ctrl’ key and select the mole flow and the enthalpy.
Press ‘OK’. This will specify the following in S1.
Note how the composition is also imported. Specify the pressure to be 14.7psia.
Since enthalpy is an intensive property, specifying one more intensive property, as well as an extensive prop-
erty, will specify the stream entirely.
Material streams can also be copied to duplicate them. To do this, right click on the stream to be copied and
select ‘Copy’.
Now paste the copied stream. Opening the form, you can see that the properties are the same as those in S1_
1 as they are in S1. However, the properties in S1_1 are not affected by any changes to S1. Both streams can
now be changed without effecting each other.
To find the velocity of the fluid flow in S1, activate line sizing.
Notice how there are default specifications already entered. Delete these specifications so that our own spe-
cifications can be entered. For this case, we want to use an 80-schedule, 12” commercial steel pipe. To enter
this, click the ‘Pipe Selection’ button.
Find the 80-schedule, 12” pipe and select the roughness to be that for commercial steel.
Press ‘OK’. There is now enough information provided to find the relevant information about the piping.
This example can be found in the Manual Examples folder as MaterialStreams.vmp
Membrane
Membrane
Main Flow sheet
PFD Stencil
Examples Separators\Membrane Example 1.vmp
General
The membrane unit operation is used to model the selective separation of multiple components across a per-
meable barrier. This unit operation can be used for gas-gas separation of liquid-gas separation (pervaporator).
The main mode of operation involves specifying the area of the membrane, the feed and optionally a sweep and
the permeate side will be calculated based on the permeability per component. When the membrane type is set
to Generic, this unit operation can also be specified to calculate the area of the membrane based on the outlet
mole flow of the permeate or retentate.
By clicking the Schematic / Connection Node you can view a schematic diagram and connections. The layout of
the ports in this section changes based on the flow pattern.
Summary(Tab)
Membrane Type
Type of membrane. This selection changes the configuration variables needed to define the unit
Generic
This selection model a membrane with just a total area without defining a specific configuration. The user can
specify the area and calculate outlet flows or specify one of the outlet mole flows to back calculate the area
Hollow Fiber
Models a hollow fiber membrane
Tubular
Models a tubular membrane. The specifications are the same as in hollow fiber but with different display names
Spiral Wound
Models spiral wound membrane
Membrane Application
The membrane unit operation can be run as a gas - gas separation or as a liquid - gas membrane (per-
vaporator). Warnings will be displayed if the sides of the membrane are not at the expected phase.
The main difference between the two models is the calculation of the driving force across the membrane for per-
meation. One is based on partial pressures on both sides and the pervaporator uses saturation pressures on
the liquid side (feed side).
Gas - Gas: Ni = (Perm_i / Thick) * (Pf*x_i - Pp*y_i)
Pervaporation: Ni = (Perm_i / Thick) * (PSat_i * ActCoeff_i * x_i - Pp*y_i)
where,
Ni = Flow for component i from feed side to permeate side
Perm_i = Permeability of component i
Thick = Thickness of membrane
Pf = Pressure on the feed side

Pp = Pressure on the permeate side
x_i = Composition for component i on the feed side
y_i = Composition for component i on the permeate side
PSat = Saturation pressure on the feed side for component i (pervaporator)
ActCoeff_i = Activity coefficient on the feed side for component i
Main Data
By default the Main Data Frame will contain the following information.
Flow Pattern
Flow pattern in the membrane
Co-Current
Feed and permeate flow in the same direction
Counter Current
Feed and permeate flow in opposite direction
Cross Flow
Permeate flows perpendicular to the feed direction
One Side Mixing

Permeate side is assumed to be completely mixed
Perfect Mixing
Feed and permeate sides are assumed to be completely mixed (not supported for pervaporator)
Totat Area
Total area of the membrane.
Interface between feed side and permeate side
Thickness
Thickness of the membrane (active layer)
Stage Cut
Fraction of feed that permeates the membrane
Stage Cut = (Feed - Retentate) / Feed
Dimensionless Area
Dimensionless number that represents the total area for separation between the feed and the permeate side.
This value is defined as,
s = (A * Qref * Pf) / (F*d)
s = Dimensionless Surface
A = Membrane Area
QRef = Permeability of base component
Pf = Pressure of the feed
F = Mole flow of the feed
d = Thickness
In Q
Variable only available when Calc T Mode is set to "All T Equal". This variable is the energy necessary to bal-
ance all the material ports.
Feed Side Delta P

Pressure drop on the feed side
Permeate Pressure
Permeate pressure at beginning of the flow. This is the inlet pressure of the Sweep if there is one.
Permeate Side Delta P

Pressure drop on the permeate side
U
Heat transfer coefficient to be used when the variable Calc T Mode is set to "Balance Enthalpy" . This variable is
typically left at a large value to represent the high heat transfer observed in most membranes.
The Main Data frame displays the variables shown below when the Membrane Type is set to "Hollow Fiber" or
"Tubular" (the word "Fiber" changes for "Tube")
Modules
The membrane is assumed to be configured with this number of Modules with fibers / tubes inside each mod-
ule. These modules are assumed to run parallel to each other
Number of Fibers / Module

Number of fibers / tubes per module
Active Length
Active length per fiber.
Fiber Inner Diameter

Inner diameter of all fibers
Fiber Outer Diameter

Outer diameter of all fibers
Fiber Thickness
Thickness of all fibers
Configuration
The default view is,
Add Sweep
Adds a sweep inlet port to the permeate side
Calc T Mode
All T Equal
All the temperatures are set to the same value. This mode allows the membrane to run faster but ignoring the
temperature changes when the components change pressure by moving to the permeate side.
Balance Enthalpy
This mode enables a heat transfer model in the membrane to track the temperature changes due to the JT
expansion on the permeate side and the heat transfer between sides. The default heat transfer coefficient is
such that feed and permeate side come out at equal temperatures.
The Configuration frame displays the variables shown below when the Membrane Type is set to "Hollow Fiber"
or "Tubular",
Feed Side
The feed can set to go through the shell or the fiber side
Calc P Mode Fiber

The fiber pressure drop can be specified or calculated
Material
Feed
Main feed to the membrane
Permeate
Permeate outlet from the membrane
Retentate
Outlet from the feed side of the membrane
Sweep
Sweep inlet to the permeate side
Permeabilities(Tab)
Settings
Permeability Spec. Type
As Permeability
Specify permeability directly as the driving force for the membrane
As Permeance
Specify permeance as the driving force for the membrane,
Permeance_i = Permeability_i / Thickness
Permeability Spec. Basis
Mole
Specify permeability in molar basis
Mass
Specify permeability in mass basis
T Dependency for Permeability

Estimate temperature dependency for permeability based on the Arrhenius equation,
P = P0 * exp (-E/R * (1/T) )

P0 = Reference permeability
E = Activation energy
R = Gas constant
T = Temperature
* If E = 0 then P = P0 (reference permeability)
Perm. Ref. T
Only visible when T Dependency for Permeability is checked. This reference temperature is used to calculate
permeability when calculating Selectivities
Ref. Component (Selectivity)

Reference component used in the calculation of Selectivity
Data
This table is used to input permeability or permeance per component depending on the Settings. The table dis-
plays reference permeability and activation energy if T Dependency for Permeability is checked.
Selectivity
This table calculates the selectivity of the components. Selectivity is defined as the ratio of permeability of every
component to that of a reference component.
Profile(Tab)
This tab displays different profiles related to the internal calculations of the membrane. The values are dis-
played along the area (length) of the membrane and are obtained from the integration of a set of ordinary dif-
ferential equations. By default, the membrane uses an integrator with an adaptive step, therefore the results
are not affected by the number of segments.
The profiles that are displayed include,
Properties: Main physical properties and flows per side
Partial Pressure: Partial pressure per component per side
Mole Flows: Mole flow per component per side
Mass Flows: Mass flow per component per side
Mole Fractions: Mole fraction per component per side
Mass Fractions: Mass fraction per component per side
Equilibrium Results
Settings (Tab)
Numerical Settings
Membrane Type
Membrane Type is the same variable also displayed at the top of the form
Tolerance
Relative tolerance to use in all the iterative calculations
Max. Iterations
Maximum number of iterations to be used in the membrane
Min. Retentate Flow

Minimum flow allowed on the outlet of the feed side. A minimum value is needed to make calculations more
stable when this value tends to 0
Min. P
Minimum pressure allowed on either side of the membrane. A minimum value is needed to make calculations
more stable when this value tends to 0
Smallest Mole Fraction

Feed components under this tolerance are ignored from the calculations.
Smallest Permeability
Components with a permeability lower than this value are ignored from calculations and assumed to not per-
meate
Number of Segments
Number of segments for the membrane. This number has no effect on the accuracy of the results when using
the "Adaptive" integrator. Tolerance would directly affect the results of this integrator.
Integrator
ODE solver to use inside the membrane. Default and recommended selection is Adaptive.
Membrane Example
This example will model a hollow fiber membrane for CO2 separation. This example is based on the paper from
Coker et al, "Nonisothermal Model for Gas Separation Hollow-Fiber Membranes"
Start a new case. Add an APR for Natural Gas 2 property package with the following components:CO2, CH4,
N2, C2H6 and C3H6. Switch the unit set to Field. Create a material stream called feed and define it as shown
below.
The purpose of the membrane is to remove CO2 from this stream.

Add a Membrane and call it CO2_Membrane, then connect the stream to the Feed material port. Add a couple
of extra streams with names Permeate and Retentate and connect to their corresponding ports.
The membrane at this point is configured as a Generic membrane in Cross Flow. Leave these variables to their
default values for now.
The next step is to input the permeance per component. Go to the Permeabilities tab and set the variable Per-
meability Spec. Type to "As Permeance".
Input the following values for Permeance,

CARBON DIOXIDE = 22.7 GPU
METHANE = 0.7 GPU
NITROGEN = 4.4 GPU
ETHANE = 0.75 GPU
PROPANE = 0.009 GPU
The units for permeance in the Field unit set are [lbmol/h-ft2-psia]. To input values in GPU you can type the num-
ber and press the space bar to get a pull down with the selection of units or you can go to the Unit Sets module
from the Tools menu and create a new unit set with permeance configured in GPU. (GPU = 1.7012379E-06
lbmol/h-ft2-psia = 7.500638E-12 m3(STP)/s-m2-Pa
The permeance and selectivity per component should look like this with the membrane being much more select-
ive to CO2 than the other components,
Now is time to specify the membrane conditions and geometry. Specify the thickness to 75 micron (0.00295
inch) and the permeate pressure to 10 psig (24.7 psia). This lower pressure on the permeate side provides the
driving force for the membrane to operate.
The membrane is now only missing another specification to solve. To get a sense for the size of membrane
needed you can specify the molar flow of the permeate port to 40 lbmol/h. This value is close to the flow of CO2
in the feed stream (56 lbmol/h). This specification should fully solve the membrane. In particular, the area and
stage cut were solved for. In the results below we can see how the CO2 permeated in a much greater pro-
portion than the rest of the components.
Stage Cut is the amount of feed that permeated to the other side divided by the feed. When there is no sweep,
Stage Cut = Permeate / Feed
The previous calculation iterated on the Total Area of the membrane until the outlet flow specification was
matched. Now that we have a reasonable size for the membrane we can proceed to remove the outlet flow
from the permeate and specify the area of the membrane such that we are running on a rating mode. To do this,
we can copy the calculated Total Area of the membrane to the clipboard, remove the flow specification and pas-
te/specify the Total Area of the membrane.
The current results can be refined further. At this point, the temperature on both sides of the membrane are
assumed to be equal (faster calculations), thus ignoring the JT effect of the change in pressure between sides.
If we change Calc T Mode to "Balance Enthalpy" we can see that the outlet temperatures are now very close to
each other because of the high heat transfer coefficient between membrane sides.
Note that despite the change in temperatures, the outlet compositions are the same values as before. The
reason is that our permeances are independent of temperature. We will change this later in this example but
before we do that, the next refinement we will do is to change the membrane type to a Hollow Fiber membrane.
Change the Membrane Type to Hollow Fiber,
The Total Area specification is now removed. The form now requests input for number of fibers, their length and
their diameter or thickness. Remove the thickness specification and input the following specifications,
Modules = 1
Number of Fibers / Module = 500000
Active Length = 0.8 m = 2.62467 ft
Fiber Inner Diameter = 150 micron = 0.0059 in
Fiber Outer Diameter = 300 micron = 0.0118 in
This should resolve the membrane to similar results as we had before.

The next step in this example is to add pressure dependency to the permeance. The temperature dependency
in the current model of the membrane follows the Arrhenious equation,
Permeability_i = Pemeability0_i * exp ( - E / (R*T))
To input the temperature dependency, put the solver on hold. Go to the Permeabilities tab and check the vari-
able T Dependency for Permeability. This should change the Data from to input reference permeability and
activation energy (E).
For this example we will use these values,
these values match the permeance values at 122 F that we input at the beginning. The permeability values now
have an exponential temperature dependency. The activation energies were taken from Haraya et al 1986,
"The Permeation of Gases through a New Type Polyimide Membrane".
Once the flowsheet is allowed to solve again we get the following results,
The Stage Cut is lower than the original results because of the temperature reduction from 122 F to 107 F.
The last change for this example is the Flow Pattern. In this case we are using a Cross Flow pattern. A hollow
fiber membrane that runs very similar to a counter current heat exchanger. If we change the Flow Pattern to
Counter Current we get the following results,
Mixer
Mixer
Main Flow sheet
PFD Stencil
Examples Piping and Flow\Mixer.vmp
General
The Mixer unit operation can be used to adiabatically mix material ports. The mixer can also handle cases
where the outlet conditions are known and we wish to solve for the conditions of one of the inlet streams. For
example, the temperature of one of the inlet streams is unknown. The mixer can be configured to equalize the
inlet and outlet pressures, set the outlet pressure to equal the lowest inlet pressure or to not to calculate the out-
let stream pressure. The default configuration of the mixer is to have two inlet streams and an outlet stream.
By clicking the Schematic / Connection Node you can view a schematic diagram and connections of the mixer.
The Connection cells can be used to manage connections to the mixer. For example a stream can be created
and automatically connected to the mixer by typing the desired name into the connection cell and then pressing
enter.
You can also make connections by selecting and empty connection cell and either selecting the desired con-
nection from the list available in the pull down or by selecting Browse.
If you select Browse a form similar to the following will appear.
To make a connection double click on the desired stream or unit operation.
Note In the case of connecting to a unit operation with multiple inlets or outlets expand the node for it to view all
of the available inlets and outlets.
To disconnect a stream unit operation using the connection cell you can either select the desired connection cell
and press delete or you can use the Disconnect option in the pull down menu of the connection cell.
Inlets
Shows the number of inlet material ports added to the mixer. This can also be used to change the number of
inlet material ports by entering the desired number of inlet ports.
Main Data
Calc P Mode
Pull down menu that sets how the mixer deals with pressures of the inlet and outlet ports.
LowestPInOutlet
Sets the pressure of the outlet port to equal the pressure of the inlet port with the lowest pressure. This is the
default CalcPressureMode of the setting.
AllPEqual
Sets all the inlet and outlet pressures in the mixer to be equal, the first pressure entered into the mixer either in
the outlet or one of the inlet ports will propagate through the mixer and determine the pressure of the remaining
ports.
DontCalculate
The mixer doesn’t perform any pressure calculations and the pressure in the inlet and outlet streams are set by
the user. Note that if this mode is selected, it is possible for the outlet pressure to be higher than the inlet pres-
sure values.
Material
Shows all of the inlet ports and the outlet port included in the Mixer configuration.

Add extra In_Material port to the Mixer. The default number of Inlet material streams is two.

Delete an In_Material port from the Mixer, at least one inlet stream must be present.
Equilibrium Results
Mixer Example
In this example we will use the mixer to combine an Ammonia and Water stream. Create a new VMGSim pro-
ject and select the Advanced_Peng-Robinson property package with ammonia and water as components.
Create 2 streams and configure them as shown in the table below.
S1 S2
Vapor Fraction 1
Temperature (F) 100
Mole Flow (lbmole/h) 100 100
Ammonia Mole Fraction 1 0
Water Mole Fraction 0 1
Now create a Mixer unit operation and change the CalcPressureMode to AllPEqual and specify the outlet pres-
sure to be 250 psia.
Now attach S1 to In0 and S2 to In1 ports, the mixer will calculate and appear as below
Because the mixer was set to equalize the pressure of all the ports, the pressures in S1 and S2 were set by the
mixer.
Note the temperature of the outlet mixture due to the large enthalpy of mixing exhibited between water and
ammonia mixtures.
Now delete the outlet pressure value from the mixer and switch the CalcPressureMode to LowestPinOutlet.
Specify the Pressure of S1 to be 300 psia and the pressure of S2 to be 275 psia. The mixer will resolve for these
condition and appear as below.
Mixer Dynamics
Mixer - Dynamics
Main Flow sheet
PFD Stencil
General
A mixer mixes streams adiabatically. In dynamics, the pressure in all feed an product streams are set to be
equal. Also, since flows can reverse, the mixer mixes the contents of all flows towards the mixer (including pos-
sibly the product stream) and then sets the mixture conditions into all outward flowing streams.
A mixer can model a pipe tee if the necessary geometry information is provided.
By clicking the Schematic / Connection Node you can view a schematic diagram and connections of the mixer.
Inlets
Shows the number of inlet material ports added to the mixer. This can also be used to change the number of
inlet material ports by entering the desired number of inlet ports.
Geometry
Geometry information is required only if you wish to model a pipe tee. There are four possible configurations for
a pipe tee based on the expected flow directions:
The first two configurations should be modeled as a splitter, and the last two as a mixer.
There are currently two methods for calculating pressure losses in a tee: Crane and Miller.
Crane
The Crane method gives a pressure loss in velocity heads of 20*fT for the straight through run, and 60*fT for
the branch. This is modeled in the simulator by assigning a pressure drop of 10*fT to each of the straight-
through nozzles, and 50*fT to the tee nozzle. It can be seen that the total pressure drop will match the Crane val-
ues regardless of flow direction. The Crane method requires only the nozzle diameters.
The Crane method treats all connections other than the first inlet and outlet as branches. You can have as
many branches as desired.
Miller
The Miller method is based on charts published in the book Internal Flow Systems, D.S.Miller, 2nd ed, 1990.
For the Miller method there must be exactly three nozzles in total, and the diameter of the straight
through run must be constant - i.e. the first inlet nozzle and the first outlet nozzle (Diam In and
Diam Out) must be the same.
The convention is that the nozzle with combined flow has subscript 3, the branch flow has subscript 1, and the
remaining flow has subscript 2. Pressure loss is calculated between the combined flow and the other nozzles -
hence K13 is the loss for the branch flow and K23 is the loss for the straight run flow. The loss is expressed in
velocity heads of the combined flow. Note when doing a pressure balance that the losses must be super-
imposed on the ideal head change caused by change in pipe diameters.
For e.g. the branch flow for the flow combining case
h1 + u1^2/2 = h3 + u3^2/2 + (loss = K13* u3^2/2)
Diam In
The diameter of the nozzle for the feed/inlet stream.
Diam Branch
The diameter for the branch of the tee.
Diam Out
The diameter for the nozzle for the straight through outlet.
Branch Angle
The angle of the branch. The angle is always measured between port 2 and port 1.
Fillet Radius
Tees can have a fillet radius, which, in most circumstances reduces the pressure drop along the branch path.
Opposing flow
Check this if during normal operation, you expect that the combined flow will be in the branch.
DP Method
Select between Default, Crane, Modified Crane, and Miller. Default follows the method selected on the settings
tab of the flowsheet form.
K13 Loss Coef

The calculated value of the Miller K13 loss. coefficient. A value is displayed only if the Miller method is active.
K23 Loss Coef

Advanced
Volume
Dynamic Mode
Normal
This gives the normal behavior for the mixer: Material balance is preserved, and all feed and product pressures
are the same.
Decouple Pres
Feed Clone
the flow direction.
Feed Clone Sum


This is an advanced feature that allows for scaling the flow up or down. It is useful where, for instance there are
two parallel trains, but you wish to model only one of them.
Has Pig
Enables to select if the mixer has a pig present ( For more details about Pigging, See Pipe Segment )
Phase Split Method

The phase split method has no effect for mixers when all flows are positive, because there is no splitting. When
flows reverse, splitting may occur, and these settings will be used in that situation.
The method for phase split.
Equal
The phases split evenly.
Hart/Wren
Hart method for horizontal tees, and Wren method for vertical tees.
Kin Energy
Split based on the inlet kinetic energy ratio
Default
Sets the method to (and then displays) the current flowsheet default.
Vap Mass SplitFrac

The mass fraction of vapor leaving the branch
Liq Mass SplitFrac

The mass fraction of liquid leaving in the branch
Material
Shows all of the inlet ports and the outlet port included in the Mixer configuration.

Add extra In_Material port to the Mixer. The default number of Inlet material streams is two.

Delete an In_Material port from the Mixer, at least one inlet stream must be present.
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type

Notes (Tab)
Multisided Heat Exchanger

Multisided Heat Exchanger
Main Flowsheet
PFD Stencil
Examples Heat Exchange\MultisidedHeatExchanger.vmp
General
The Multisided Heat Exchanger models a unit operation where heat is transferred between more than two
sides of an exchanger.
A schematic diagram and connections of the multisided exchanger can be viewed by clicking the Schematic /
Connection node.
Number of Segments
The number of segments used for calculations in the heat exchanger. If only basic heat exchange is required
then this variable can be set to 1, but if more detailed information related to the heat exchange is required (such
as profiles), then a larger number of segments should be defined. Please note, for heat exchangers where non-
linear temperature vs. energy transfer behaviour is encountered, the UA value will change for a different num-
ber of specified segments. The more segments specified, the more accurate the calculated UA value will be (as
the non-linear behaviour prediction improves). In general, the UA value will converge as the number of seg-
ments approaches infinity.
Number of Sides
The user can alter the number of sides (independent fluids) in the exchanger. Each side has one inlet material
port and one outlet material port. The default is 2 sides.
Schematic (Button)
Clicking the schematic button will bring up the following window, which allows the process information for the
heat exchanger to be easily viewed.
The SPECIFICATIONS radio buttons and the DISPLAY OPTIONS and BETWEEN STREAMS checkboxes
allow the displayed information to be configured.
Add Energy Signal … (Button)

Energy signals will show the amount of heat lost or gained by the process stream on a given side of the
exchanger. Clicking the Add Energy Signal… button will bring up the following form, which configures the
energy signal before being added to the signal port.
Energy Signal Name

Change the name that is appended to the added energy signal port description in the signal port.
Add Energy to Side

Pull down to select the side to which the energy signal will be added.
Calculate energy value as (Qin – Qout)

Energy lost by the stream will be calculated if the checkbox is selected (default) and energy gained by the
stream will be calculated if the checkbox is deselected.
Summary (Tab)
Main Data
The Main Data frame will contain the following information by default, these values are either specified or cal-
culated by the Multisided Exchanger.
Overall UA
UA between the cold and hot composite curves.
Overall App
Approach temperature (closest temperature gap) between the hot and composite curves.
Side Data
Side
Lists the inlet and outlet port name (or connected stream) for every side.
<FeedStream>-<ProdStream>.
Count Current
True if the side is counter current. A counter current side flows in the direction opposite to the reference side
(see Settings tab to change the reference side).
Type
Displays “Hot” if the side loses energy or “Cold” if the side gains energy (cannot be specified).
In T
Inlet temperatures.
Out T
Outlet temperatures.
DT
Temperature change (positive for hot sides).
DP
Pressure drops.
UA
UA per side, defined as the UA between the side and its opposite composite side.
Detailed Rating
The Detailed Rating frame allows a rating engine to be selected for the heat exchanger. By default this frame is
Rating Engine
The method that is used to rate the heat exchanger.
No Rating
No heat exchanger rating will be performed. This is the default value for Rating Engine.
VMGSim
Enables the VMGSim rating engine. This selection will add a Rating tab to the heat exchanger form. See the
VMGSim Rating section of the manual for additional details.
HTRI
Enables the HTRI Link. This selection will add an HTRILink tab to the heat exchanger form. See the HTRI Link
section of the manual for additional details.
Material Ports
In0
Inlet material port for side0 of the heat exchanger.
In1
Inlet material port for side1 of the heat exchanger.
Out0
Outlet material port for side0 of the heat exchanger.
Out1
Outlet material port for side1 of the heat exchanger.
Sides (Tab)
This tab contains a useful summary of the most important variables from the heat exchanger. Every frame dis-
plays different variables (columns) per side (rows). The multisided heat exchanger may be driven from this tab
once the connections are done.
Side Data
Conns
Lists the streams connected to every side. <FeedStream>-<ProdStream>.
Count Current
True if the side is counter current.
Type
Displays “Hot” if the side loses energy or “Cold” if the side gains energy (can not be specified).
In T
Inlet temperatures.
Out T
Outlet temperatures.
DT
Temperature change (positive for hot sides).
DP
Pressure drops
UA
UA per side, defined as the UA between the side and its opposite composite side.
Side Data (Flows)
Mole Flow
Mole flow per side
Mass Flow
Mass flow per side
In VolFlow
Inlet volumetric flow (actual).
Out VolFlow
Outlet volumetric flow (actual)
Std Gas Vol

Standard gas volumetric flow.
Std Liq Vol

Standard liquid volumetric flow.
Side Data (Physical Props)
In VapFrac
Inlet molar vapor fraction.
Out VapFrac
Outlet molar vapor fraction.
In Cp
Inlet Cp.
Out Cp
Outlet Cp.
In H
Inlet enthalpy.
Out H
Outlet enthalpy.
In Dens
Inlet mass density.
Out Dens
Outlet mass density.
In Viscosity
Inlet viscosity.
Out Viscosity
Outlet viscosity.
Side to Side Inlet DT
Matrix of “inlet” temperature differences between sides (i = col; j = row).

InT_Side_i – InT_Side_j for co-current sides;
InT_Side_i – OutT_Side_j for co-current vs. counter-current sides;
OutT_Side_i – OutT_Side_j for counter-current sides.
Side to Side Outlet DT
Matrix of “outlet” temperature differences between sides (i = col; j = row).

OutT_Side_i – OutT_Side_j for co-current sides;
OutT_Side_i – InT_Side_j for co-current vs. counter-current sides;
InT_Side_i – InT_Side_j for counter-current sides.
Side to Side UA
Matrix with side to side UA (lower triangular). This is an alternative way of defining UA values from the one avail-
able in the first “Side Data” frame.
a) Understanding the UA Matrix
The only entries that can be modified are the values from the lower diagonal matrix. A UA value in the column
“UA0” and the row “Side1” indicates a heat transfer coefficient between “Side0” and “Side1”; this is the same
value from the signal port named “UA0_1”.
In a more general sense, a UA value in column “UAi” and row “Sidej” refers to the direct heat transfer between
“Sidei” and “Sidej”.
The following figure shows the temperature profile of a three sided heat exchanger. This figure is used to illus-
trate the design equation for the calculation of UAi_j.
For each segment,
Qi_j = (UAi_j)(LMTDi_j)
Where, for each segment,
Qi_j = the amount of energy directly transferred from side i to side j.
UAi_j = the heat transfer term for side i and side j.
LMTDi_j = defined as LMTDi_j = (dt1–dt2) / ln(dt1/dt2)
dt1 = the difference in temperatures between sides for the left side of a segment.
dt2 = the difference in temperatures between sides for the right side of a segment
b) How to specify the UA Matrix

The multisided heat exchanger uses only N-1 UA values for performing calculations, where N is the number of
sides. This means that the user must explicitly “ignore” some of the UA values from the calculations. In order to
do this, a user must set the value of some entries in the UA matrix to 0.0. Specifying UAi_j to 0.0 means that
there is no direct heat transfer between side i and j.
For example, for the three sided case (N=3) there are three possible UA values, UA0_1, UA0_2 and UA1_2.
The solver uses N-1 UA values, therefore one of the possible UAs has to be set to 0.0. Setting UA1_2 equal to
0.0 means that sides 1 and 2 do not have direct heat transfer between them.
If you are not concerned about the actual numeric values of UAi_j, an easy way to specify the zeros in the UA
matrix is setting all the values that are not in column UA0 to 0.0.
Rating (Tab)
This tab will appear when the VMGSim Rating Engine is selected. More detailed information regarding
VMGSim exchanger rating can be found in the VMGSim Rating section of the manual.
Settings (Tab)
Settings for the multisided heat exchanger can be specified within this tab.
Numerical Settings
Track Phase Change

When selected, phase changes in any of the two sides will be found and a segment added at this point. The
Number of Segments should be greater than one in order for these segments to appear. By default, Track
Phase Change is not selected.
Max Num Iterations

Maximum number of iterations accepted when attempting to solve the heat exchanger.
Damping Factor
Depending on the input, the heat exchanger may be solved iteratively as a set of non-linear equations. The
damping factor affects the step size taken by the algorithm when updating values from iteration to iteration. A
damping factor lower than one results in smaller step changes in the iteration variables than the ones obtained
Max Error
This is the accepted tolerance for a converged solution. Max Error is defined as the largest scaled “error” of the
Solution Method
Defines the numerical method used to solve the heat exchanger. The default is NewtonRaphson.
Try To Restart
When selected, the solver uses the last iteration values (converged or not) as the initial values for finding a solu-
tion. This parameter overwrites TryLastConverged. This parameter is useful when it is thought that a heat
exchanger only requires a few more iterations in order to obtain a solution. By default TryToRestart is not selec-
ted.
Try Last Converged

When selected, the solver attempts to use the last converged solution as the initial values for finding a new solu-
tion. Note that TryLastConverged still checks if the initialization algorithm provides better initial values than the
last converged solution. It is also important to point out that the heat exchanger will still remember the last con-
verged solution even if it does not converged. By default TryLastConverged is selected.
Minimize Error
equations are assumed to be converged. When selected the solver attempts to always reduce the maximum
error from iteration to iteration (i.e. it does not allow the solution to diverge). If it is not selected, then it blindly
takes the values from the numerical algorithm from iteration to iteration. By default MinimizeError is selected.
Monitor Convergence
When selected the solver automatically checks if the algorithm is far from the solution and it does not seem to be
converging, which results in a premature break in the calculations. When not selected, it allows the solver to
keep on iterating until it reaches MaxIterations. By default MonitorConvergence is selected.
Freq Jacobian Msg

is shown. The default is 10.
PFD Settings
Reference Side
The side of the exchanger whose flow direction is used to determine whether the remaining sides of the
exchanger are co-current or counter-current. The reference side flows in the reference (co-current) direction.
Co-current flow is displayed as Left to Right direction on PFD.
Note that the definition of a reference side becomes trivial for a two-sided heat exchanger. Reference Side is
useful only in a multisided heat exchanger with more than 2 sides.
Profile (Tab)
This user can view a tabular display of the values used to create the plots in the “Plot” tab. A value is given for
each segment in the heat exchanger, representing each chosen property. By default UA, LMTD, temperature,
accumulated energy and enthalpy are included.
Add/Remove
Allows additional properties to be added/removed to/from the Profile Table. The > and < buttons add or remove
the selected properties and the >> and << button will add or remove all of the available properties.
Composite Side (Tab)

Provides a table containing the temperature and accumulated energies for the hot and cold composite sides of
the heat exchanger, for each of the set number of segments. The hot composite side is the combination of all of
the hot streams in exchanger and the cold composite side is the combination of all the cold streams in the
exchanger
Plot(Tab)
Allows selected heat exchanger properties to be plotted and viewed.
X-Axis
Pull down menu to change the X axis variable being plotted.
Y-Axis
Properties
Pull down menu to change the properties that are available to be plotted.
View
Pull down menu that allows whether the Side or Composite Curve Data is plotted..
Plot Window
Plot Control
Check Boxes
Advanced…
lowing form
Save As JPG…
Copy
Print…
HTRI Link (Tab)

This tab will appear when the HTRI RatingEngine is selected. More detailed information regarding the HTRI
Link can be found in the HTRI Link section of the manual.
Multisided Heat Exchanger Example

In this example a multisided heat exchanger will be used to cool a natural gas stream using nitrogen and freon.
Start a new VMGSim project, select the Advanced_Peng_Robinson property package and add nitrogen, meth-
ane, ethane, propane, isobutane, n-butane and 1, 2-difluoroethane. Switch the unit set to SI. Create three
material streams which will be the input streams for the heat exchanger, specify them as shown below.
Freon-in N2-in LNG-in

Temperature (°C) -15 -160 10
Pressure (kPa) 200 500 2000
Mole Flow (kgmole/h) 100 1000 100
Mole Fraction Nitro- 0 1.0 0.0
gen
Mole Fraction Meth- 0 0.0 0.88
ane
Mole Fraction Ethane 0 0.0 0.058
Mole Fraction Pro- 0 0.0 0.047
pane
Mole Fraction i- 0 0.0 0.005
Butane
Mole Fraction n- 0 0.0 0.01
Butane
Mole Fraction 1,2- 1 0.0 0.0
difloroethane
Create three additional material streams LNG-out, N2-out and Freon-out to act as the output from the heat
exchanger. Create a Multisided Heat Exchanger. Specify the number of sides to be 3, the number of segments
to be 10 and the pressure drops for all sides to be 50 kPa. Connect the In material streams to the Heat
Exchanger In material ports as follows: Freon-in to In0, N2-in to In1 and LNG-in to In2. Connect the Heat
Exchanger Out ports to the Out material streams as follows, Out 0 to Freon-out, Out1 to N2-out to LNG-out, the
MultiSidedHeatExchanger form should appear as below.
Now specify the temperature of LNG-out to be -105 °C and the temperature of N2-out to be -120 °C.
Finally, specify UA0_2 to be zero in the Results tab, the Heater Exchanger should solve and will appear as
seen below.
With the Exchanger solved, it is now possible to plot and view profiles of interest. Click the Plot tab, select the X-
Variable to be EnergyAccum and the Y-Variable to be Temperature. The plot should appear as below.
Click the Schematic button to view a summary of the process data and heat exchange.
Multisided Heat Exchanger Dynamics

Multisided Heat Exchanger - Dynamics
Main Flowsheet
PFD Stencil
Examples Heat Exchange\MultisidedHeatExchanger.vmp
General
The Multisided Heat Exchanger in dynamics provides a rating model for a plate-fin compact heat exchanger.
A schematic diagram and connections of the multisided exchanger can be viewed by clicking the Schematic /
Connection node.
Number of Sides
The number of sides (independent fluids) in the exchanger. Each side is connected to one external feed and
one external product. Fluids in different sides never mix internally. The path that each side follows within the
exchanger is defined in the Configuration tab.
Number of Zones
The number of zones in the exchanger. Each zone has a defined layout in terms of feeds, layers, and stacking
arrangement.
Summary (Tab)
Main Data
Elevation
The elevation for the equipment. For purposes of static head calculations and phase fraction calculations, all
internal nozzles and holdups are assumed to be at the same elevation.
Metal Data
This frame summarizes the metal data for the exchanger.
Metal Heat Capacity

The heat capacity of the metal in the plates.
Metal Thermal Conductivity

The thermal conductivity of the metal in the plates.
Metal Density
The density of the metal in the plates.
Side Data
Temperature and flow properties for each side.
Material Ports
In(i)
Inlet material port for the ith side of the heat exchanger.
Out(i)
Outlet material port for the ith side of the heat exchanger.
Configuration (Tab)
This tab contains tables where the path that each side follows through the exchanger can be specified. Tables
are used to map a side's external connections to zones (where a side enters/exits the heat exchanger) and
internal connections between zones.
The tab also provides a selector which allows you to select and then specify information for each zone.
External Connections
This table maps each side's entry to and exit from the heat exchanger.
Side
Each side is identified by the names of its inlet and outlet ports or connected material streams.
From Feed
The side's inlet port or its connected material stream.
To Zone
The zone where the side enters the heat exchanger. The side's inlet port connects to a path in this zone.
Path in [To] Zone

The path in the "To Zone" zone that is connected to the side's inlet port. This index is a unique identifier for the
inlet connection as an independent fluid ("Path") in the zone. Paths never mix internally, and they may have
unique flow direction, fin geometry, and inlet conditions.
Connect Path To
Specifies whether the outlet of the path "Path in [To] Zone" connects to another path ("Other Path") or to the
side's outlet port ("Product"). An internal connection is created if "Other Path" is selected, and mapping for the
side's next connection must be specified in the "Internal (Path) Connections" table.
Next Connection
The next connection in the side's trajectory through the heat exchanger. Its value will be "To Product" if
"Product" was selected in "Connect Path To". Otherwise, it will be the name of the associated internal con-
nection in the "Internal (Path) Connections" table.
From Zone
The zone from which the side exits the heat exchanger. The side's outlet port connects to a path in this zone.
Path in [From] Zone

The path in the "From Zone" zone that is connected to the side's outlet port. This index is a unique identifier for
the inlet connection as an independent fluid ("Path") in the zone. Paths never mix internally, and they may have
To Product
The side's outlet port or connected material stream.
Internal (Path) Connections

A path is an independent fluid within a zone. Paths never mix internally, and they may have unique flow dir-
ection, fin geometry, and inlet conditions.
This table maps internal connections in the heat exchanger. An internal connection connects the outlet of one
path to the inlet of another. Connected paths may be in different zones or in the same zone.
Side
The name of the heat exchanger side that the connection's connected paths are a part of.
From Zone
The zone that the internal connection is coming from.
Path in [From] Zone

The internal connection connects the outlet of this path (in the "From Zone" zone) to the inlet of the "Path in [To]
Zone" path (in "To Zone" zone).
To Zone
The zone that the internal connection is going to.
Path in [To] Zone

The internal connection connects the outlet of the "Path in [From] Zone" path (in zone "From Zone") to the inlet
of this path (in the "To Zone" zone).
Connect Path To
Next Connection
Examples
Two Streams, One Zone
In this example, we have two sides: stream pairs LNG-in/LNG-out and Freon-in/Freon-out. Note that in Visio
connections are shown from the bottom upwards.
We have to map the external streams to fluid paths in the exchanger. In this case there is one zone (Zone 0)
with two fluid paths. The first side's inlet connects to Zone 0 / Path 0, and the second side's inlet to Zone 0 / Path
1. This is specified in the External Connections frame. There are no internal connections, so the outlets of Zone
0 / Path 0 and Zone 0 /Path 1 are connected to the sides' outlet (Product) ports.
Three Streams, Two Zones

In this example we have three sides and two zones.
The internal layout can be visualized as
Specify the number of sides and zones, and then connect the stream pair for each side.
Open the Configuration tab to specify the internal trajectory of each side as mapped below.
Specify the entry point for each side in the External Connections table. LNG-in and Freon-in are connected to
Zone 0. N2-in is connected to Zone 1.
The specified layout at this point can be visualized as
We want side LNG-in-LNG-out to connect to another path after it exits Zone 0 / Path 0, instead of connecting to
LNG-out right away.
Specify "Other Path" in this side's "Connect Path To" column.
This creates a new internal connection "Path Conn-1" which must be specified in the Internal
(Path) Connections table.
The specified layout at this point can be visualized as
Connect this internal connection to Zone 1 to finalize the internal configuration.
The final internal configuration can be visualized as
Zone Configuration
This section allows you to specify the geometry for each zone.
Selected Zone
Use this to select the zone that you want to view/specify.
Number of Paths
The number of feeds/products to/from the zone – i.e. the number of unique fluids exchanging heat in the zone.
This value is calculated based on the number of connections to the zone, as specified in the External Con-
nections and Internal (Path) Connections tables.
Number of Layers
The number of layers in a stack/set. This should be the same as or larger than the number of paths. (Often, flu-
ids flow through multiple layers in a set to balance heat exchange area against fluid heat capacity)
Number of Layer Sets

The number of repeated stacking arrangements.
Length
The length of the plates in the zone
Width
The width of the plates in the zone
Metal Thickness
The thickness of the metal in the plates
Stacking (Path)
The path index of the fluid that flows through each layer.
Side
The heat exchanger side that the layer path (specified in Stacking) is a part of.
Flow Direction
The flow direction for each layer. All layers corresponding to the same path will have the same flow direction.
The flow direction can be Forward, Reverse, or Cross.
Delta P
The pressure drop through each path. This value cannot be specified. It is calculated with the method selected
in "DP Correlation".
HTC
The heat transfer coefficient between each layer and the layer below. For the last layer, it is the coefficient
between that layer and the first layer of the next stack.
UA
The overall UA for each layer across all stacks. This number includes the enhancement to UA from the fins.
Duty
The calculated duty between each layer and the layer below. For the last layer, it is the duty between the last
layer and the first layer of the next stack. This is also an overall value – it is the total value across all stacks.
Layer Spacing
The distance between the channel walls.
Fin Spacing
The distance between fins in the channel. Fins are assumed to be perpendicular to the plates, and to extend
across the full width of the channel.
Fin Thickness
The thickness of the metal used for the fins.
DP Correlation
Method used to calculate pressure drop for each path. The choices are Kays and Const. Kays uses Figures 7-2
through 7-4 from the Kays and London book. Const allows a user-specified value for k (flow conductance).
k
Flow conductance for the path. This value will be propagated to all layers corresponding to the same path.
DP Tune Fac
An adjustment multiplier that will be applied to the calculated or specified k conductance.
HTC Correlation
Method used to calculate heat transfer coefficient for each path. The choices are Kays and Const. Kays uses
Figures 7-2 through 7-4 from the Kays and London book. Const allows a user specified value for HTC.
Fouling Fac
The fouling factor for the heat transfer coefficient.
HTC Tune Fac

An adjustment multiplier that will be applied to the calculated or specified HTC.
References
Compact Heat Exchangers, Kays, W.M. and London, A.L., Third Edition, 1984
HTRI Link
Multisided Heat Exchanger HTRI Live Link
Main Flowsheet
PFD Stencil
Examples Heat Exchange\MultisidedHeatExchangerHTRI.vmp
General
In HTRI Exchanger Suite 7, the option to design a plate-fin heat exchanger was made available. Subsequently,
the option to design a plate-fin heat exchanger in VMGSim was added. A majority of the functionality of the
HTRI rating in the multisided heat exchanger is similar to the functionality of HTRI in the shell and tube heat
exchanger. This section will focus on information specifically related to the multisided heat exchanger. For more
information on the HTRI Live Link in VMGSim, please reference the sections in Unit Operations\Heat
Exchanger\HTRI Link.
The HTRI Live Link is activated by changing the Detailed Rating to "HTRI".
This will activate the HTRILink tab.
HTRI Case Modes

There are 4 different case modes available in HTRI for use with the plate-fin heat exchanger. These are:
1. Stream-by-stream
2. Layer-by-layer
3. Crossflow
4. Design
For details on these case modes, see the HTRI manual.
HTRI Results
Duty
The energy transferred across the layers of the plate-fin heat exchanger.
Heat Transfer Area

The total area available for heat transfer in the plate-fin heat exchanger.
Pressure Drop
The pressure drop calculated per layer of the plate-fin heat exchanger.
Multisided Heat Exchanger HTRI Live Link Example

EXAMPLES:
Heat Exchange\MultisidedHeatExchangerHTRI.vmp
Overview
In order to show the abilities of the Multisided Heat Exchanger HTRI Live Link, one of the VMGSim rating
examples will be created using the HTRI link. The example that will be reproduced is Heat
Exchange\VMGSimMultisidedRating1.vmp. To start, open this example from the Manual Examples directory.
The solved E1 will look as below.
Once the case is open, change the Rating Enginer to HTRI and enter the DP for each side and outlet T for LNG
and Freon from VMGSim Rating calculations.
By going to the "HTRILink" tab, checking the "Check and Enable HTRI Live Link" will create an Xpfe case in
HTRI filled with the material stream information from VMGSim.
In HTRI, the following information will need to be entered:

Effective width: 1000 mm
Effective length: 1000 mm
Exchanger orientation: Horizontal (horizontal parting sheets)
Stacking Pattern: ABCBABCB
Layer A - Distance from A to 1st fin: 0 mm
Layer A - Fin length: 1000 mm
Layer B - Distance from A to 1st fin: 0 mm
Layer B - Fin length: 1000 mm
Layer C - Distance from A to 1st fin: 0 mm
Layer C - Fin length: 1000 mm

The same fin type will be used for each section and will be defined as below.
Fin Type: Plain
Fin Height: 10 mm
Fin Thickness: 0.5 mm
Fin Frequency: 100 fin/metre
Once all of the design information has been entered to match that from the VMGSim Rating design, the HTRI
case can be run. This will allow the case to solve, and provide the design information to VMGSim.
With this, the Calculation Mode can be changed to HTRI and allow one of the outlet temperatures to be spe-
cified to match that from HTRI.
VMGSim Rating
VMGSim Multisided Heat Exchanger Rating
Main Flowsheet
PFD Stencil
Examples Heat Exchange\VMGSimMultisidedRating1.vmp

Heat Exchange\VMGSimMultisidedRating2.vmp
General
The Multisided Heat Exchanger operation contains a built-in rating feature for plate-fin heat exchangers. This
feature does not have the extent of options or complexity found in the externally linked software packages, but it
does allow for the prediction of fluid pressure drops and UA values between sides .
Built-in multipliers for pressure drop and heat transfer coefficient calculations enable the user to match plant
data. In this respect, the rating tool is not meant for the design stage and should be used for rating purposes
only.
Note: The geometry of the exchanger must be fully defined along with all inlet material ports for the rating
solver to function.
Detailed Rating
Use the Detailed Rating frame found in the Summary tab to configure the rating solver.
Set the Rating Engine option to "VMGSim" to activate the VMGSim Rating mode. Beware that this action will
clear any pressure drop or UA specs that you have set in design ("No Rating") mode.
More options are available when "VMGSim" is selected.

In Detailed Rating,
Layer Calc. Mode

The solution method for layer rating calculations. There are two options: "Simple" and "Detailed". In Simple
mode, similar layers may be grouped together so that their average fluid properties are calculated sim-
ultaneously. In Detailed mode, properties are calculated for each individual layer. Use Simple mode for easier
convergence and better speed when there are many layers, and Detailed mode for slightly greater accuracy.
Note that this setting is trivial if the number of layers is equal to the number of paths, since there will be no sim-
ilar layers to group.
Metal Thermal Conductivity

The thermal conductivity of the metal in the plates.
Above the Summary tab,
Number of Sides
The number of sides (independent fluids) in the exchanger. Each side is connected to one external feed and
one external product. Fluids in different sides never mix internally. The path that each side follows within the
exchanger is defined in the Rating tab.
Number of Zones
The number of zones in the exchanger. Each zone has a defined layout in terms of feeds, layers, and stacking
arrangement.
Number of Segments
The number of segments used for calculations per zone in the heat exchanger. If only basic heat exchange is
required then this variable can be set to 1. Please note, for heat exchangers where non-linear temperature vs.
energy transfer behaviour is encountered, the UA value will change for a different number of specified seg-
ments. The more segments specified, the more accurate the calculated UA value will be (as the non-linear
behaviour prediction improves). In general, the UA value will converge as the number of segments approaches
infinity.
Rating (Tab)
This tab will appear when the VMGSim Rating Engine is selected. The path that each side follows through the
exchanger can be specified here.
Tables are used to map a side's external connections to zones (where a side enters/exits the heat
exchanger) and internal connections between zones. The tab also provides a selector which allows you to
select and then specify information for each zone.
External Connections
This table maps each side's entry to and exit from the heat exchanger.
Side
Each side is identified by the names of its inlet and outlet ports or connected material streams.
From Feed
The side's inlet port or its connected material stream.
To Zone
The zone where the side enters the heat exchanger. The side's inlet port connects to a path in this zone.
Path in [To] Zone

The path in the "To Zone" zone that is connected to the side's inlet port. This index is a unique identifier for the
inlet connection as an independent fluid ("Path") in the zone. Paths never mix internally, and they may have
Connect Path To
Next Connection
From Zone
The zone from which the side exits the heat exchanger. The side's outlet port connects to a path in this zone.
Path in [From] Zone

The path in the "From Zone" zone that is connected to the side's outlet port. This index is a unique identifier for
the inlet connection as an independent fluid ("Path") in the zone. Paths never mix internally, and they may have
To Product
The side's outlet port or connected material stream.
Internal (Path) Connections

A path is an independent fluid within a zone. Paths never mix internally, and they may have unique flow dir-
ection, fin geometry, and inlet conditions.
This table maps internal connections between paths in the heat exchanger. An internal connection connects the
outlet of one path to the inlet of another. Connected paths may be in different zones or in the same zone.
Side
The name of the heat exchanger side that the connection's connected paths are a part of.
From Zone
The zone that the internal connection is coming from.
Path in [From] Zone

The internal connection connects the outlet of this path (in the "From Zone" zone) to the inlet of the "Path in [To]
Zone" path (in "To Zone" zone).
To Zone
The zone that the internal connection is going to.
Path in [To] Zone

The internal connection connects the outlet of the "Path in [From] Zone" path (in zone "From Zone") to the inlet
of this path (in the "To Zone" zone).
Connect Path To
Next Connection
Zone Configuration
This section allows you to specify the geometry for each zone.
Selected Zone
Use this to select the zone that you want to view/specify.
Number of Paths
The number of feeds/products to/from the zone – i.e. the number of unique fluids exchanging heat in the zone.
This value is calculated based on the number of connections to the zone, as specified in the External Con-
nections and Internal (Path) Connections tables.
Number of Layers
The number of layers in a stack/set. This should be the same as or larger than the number of paths. (Often, flu-
ids flow through multiple layers in a set to balance heat exchange area against fluid heat capacity)
Number of Layer Sets

The number of repeated stacking arrangements.
Length
The length of the plates in the zone
Width
The width of the plates in the zone
Metal Thickness
The thickness of the metal in the plates
Stacking (Path)
The path index of the fluid that flows through each layer.
Side
The heat exchanger side that the layer path (specified in Stacking) is a part of.
Flow Direction
The flow direction for each layer. All layers corresponding to the same path will have the same flow direction.
The flow direction can be Forward, Reverse, or Cross.
Delta P
The pressure drop through each path. This value cannot be specified. It is calculated with the method selected
in "DP Correlation".
HTC
The heat transfer coefficient between each layer and the layer below. For the last layer, it is the coefficient
between that layer and the first layer of the next stack.
UA
The overall UA for each layer across all stacks. This number includes the enhancement to UA from the fins.
Duty
The calculated duty between each layer and the layer below. For the last layer, it is the duty between the last
layer and the first layer of the next stack. This is also an overall value – it is the total value across all stacks.
Layer Spacing
The distance between the channel walls.
Fin Spacing
The distance between fins in the channel. Fins are assumed to be perpendicular to the plates, and to extend
across the full width of the channel.
Fin Thickness
The thickness of the metal used for the fins.
DP Correlation
Method used to calculate pressure drop for each path. The choices are Kays and Const. Kays uses Figures 7-2
through 7-4 from the Kays and London book. Const allows a user-specified value for k (flow conductance).
k
Flow conductance for the path. This value will be propagated to all layers corresponding to the same path.
DP Tune Fac
An adjustment multiplier that will be applied to the calculated or specified k conductance.
HTC Correlation
Method used to calculate heat transfer coefficient for each path. The choices are Kays and Const. Kays uses
Figures 7-2 through 7-4 from the Kays and London book. Const allows a user specified value for HTC.
Fouling Fac
The fouling factor for the heat transfer coefficient.
HTC Tune Fac

An adjustment multiplier that will be applied to the calculated or specified HTC.
References
Compact Heat Exchangers, Kays, W.M. and London, A.L., Third Edition, 1984
VMGSim Multisided Heat Exchanger Rating Examples
EXAMPLE 1:
Overview
In this example a multisided heat exchanger is used to cool a natural gas stream using nitrogen and freon.This
3-sided heat exchanger is rated by specifying its configuration and overall geometry, as well as all input
streams.
Heat Exchanger
Start a new VMGSim project, select the Advanced_Peng_Robinson property package and add nitrogen, meth-
ane, ethane, propane, isobutane, n-butane and 1, 2-difluoroethane. Switch the unit set to SI. Create three
material streams which will be the input streams for the heat exchanger, specifying them as shown below.
Freon-in N2-in LNG-in

Temperature (°C) -15 -160 10
Pressure (kPa) 200 500 2000
Mole Flow (kgmole/h) 100 1000 100
Mole Fraction Nitrogen 0 1.0 0.0
Mole Fraction Methane 0 0.0 0.88
Mole Fraction Ethane 0 0.0 0.058
Mole Fraction Propane 0 0.0 0.047
Mole Fraction i-Butane 0 0.0 0.005
Mole Fraction n-Butane 0 0.0 0.01
Mole Fraction 1,2-difloroethane 1 0.0 0.0
Create three additional material streams LNG-out, N2-out and Freon-out to act as the output from the heat
exchanger.
Create a Multisided Heat Exchanger and open its form. Specify the number of sides to be 3 and the number of
segments to be 5. Connect the In material streams to the Heat Exchanger In material ports as follows: LNG-in
to In0, Freon-in to In1 and N2-in to In2. Connect the Heat Exchanger Out ports to the Out material streams as
follows: Out0 to LNG-out, Out1 to Freon-out, and Out2 to N2-out. The MultisidedHeatExchanger form should
appear as below.

Expand the Detailed Rating node and set the Rating Engine to "VMGSim". Open the Rating tab to setup the
heat exchanger geometry and configuration.
The default configuration is shown below. There is only 1 zone, so the feed of each side is connected to it
(Zone_0), creating 3 paths through the zone. The outlet of each of these paths is then connected to the side's
Product port.
Note that there is an error message in the status bar within the Rating tab. Zone_0 has 2 layers by default, but
there are 3 paths through it. Since the number of layers must be equal to or greater than the number of paths,
calculations cannot proceed. In Zone Configuration, set the Number of Layers for Zone_0 to 3. The rating
engine will now solve.
Change Zone_0 Stacking and Flow Direction to model the configuration depicted here,
The heat exchanger solves as follows.
Note that with the current geometry the pressure drop in the nitrogen side is about 30 kPa. One way to minimize
this value is by adjusting the number of layers that the path splits into.
Change the number of layers in Zone_0 to 4 and the number of sets to 2. Set Layer-4 Stacking to Path 2 (Nitro-
gen).The internal heat exchanger configuration can now be depicted as below,
The rating engine solves this configuration with the following values.
Pressure drop for the nitrogen side is now about 2.5 kPa.
EXAMPLE 2:
Overview
In this example, a multisided heat exchanger is used to cool a natural gas stream using nitrogen and freon in a
multicore (3-zone) configuration. The heat exchanger is rated by specifying its configuration and overall geo-
metry, as well as all input streams. The internal layout of the heat exchanger is depicted below.
Heat Exchanger
Open the multisided heat exchanger case created in Example 1 (Heat Exchange\VMGSimMult-
isidedRating1.vmp).

Change the configuration of the heat exchanger to model the layout described above. First, change the number
of zones to 3. Next, set the zone that each side's feed is connected to in the External Connections table "To
Zone". LNG-in is connected to Zone_0, Freon-in is connected to Zone_2, and N2-in is connected to Zone_1.
Next, configure the trajectory of each side after its feed to the heat exchanger. LNG exits Zone_0 and connects
to a path in Zone_2. Setting "Connect Path To" of LNG-in-LNG-out to "Other Path" creates a new internal con-
nection ("Path Conn-1"). The target of this connection can be specified in the Internal Connections table to be
"Zone_2".
LNG exits Zone_2 and connects to a path in Zone_1. Setting "Connect Path To" of Path Conn-1 to "Other
Path" creates a new internal connection ("Path Conn-2"). The target of this connection can be specified in the
Internal Connections table to be "Zone_1".
LNG exits Zone_1 and connects to the side's product, LNG-out. We can verify that in the External Connections
table LNG-out is connected to Zone_1/Path-1, from Path Conn-2. The trajectory of this side has been mapped.
Freon exits Zone_2 and connects to the side's product, Freon-out. No changes in configuration are necessary.
N2 exits Zone_2 and connects to to a path in Zone_0. Setting "Connect Path To" of N2-in-N2-out to "Other
Path" creates a new internal connection ("Path Conn-3"). The target of this connection can be specified in the
Internal Connections table to be "Zone_0". N2 exits Zone_1 and connects to the side's product, N2-out.
The final configuration should match the tables shown below.
Next, configure each zone to have 2 layers and 1 set of layers. Since every zone has a counter-current con-
figuration, make sure that in each zone 1 layer has a Forward flow direction and the other a Reverse flow dir-
ection.
Below is the configuration for Zone_0.
OPC Client
VMGSim OPC Client
OPC Client
Main Flow sheet Opc Client
PFD Stencil
Examples Productivity Tools\OPC Connectivity\OPCDynTest.vmp

Productivity Tools\OPC Connectivity\OPCDyn_Finished.vmp
Productivity Tools\OPC Connectivity\OPCSSTest.vmp
General
OPC is the standard interface of communication among devices in the manufacturing and process industry.
The OPC foundation (http://www.opcfoundation.org/) is in charge of developing and disseminating the stand-
ards for this open connectivity technology. The VMGSim OPC Server is a separate application that exposes
VMGSim to OPC clients through theOPC Data Access 2.0 interface. This is a Windows/COM based interface.
The OPC client allows users to access and modify virtually any tag in an OPC server such as a DCS.
OPC server selection

Use the Add Server... button to select the OPC server
Once an OPC server is selected the form looks as follows,
OPC Server
Server name
Name of the OPC Server currently connected.
Server Node
The network node that the OPC Server is on
Server State
Current state of the OPC Server
Last Update Time

The last time that the OPC Server tags have been updated
Current Time
The current time on the OPC Server
Vender Info
Vender of the OPC Server
Major Version
Version number of the OPC Server
Minor Version
Sub version number of the OPC Server
Build Number
Build number of the OPC Server
Band Width
The difference in the tag value before the OPC server updates the OPC Client
Start Time
OPC Server start time
Disconnect
Disconnect from the currently connected OPC Server
Connect
Connect to the selected OPC Server
Edit OPC Server
While disconnected, edit which OPC Server to connect to
Write to server
While connected, forces tags in write mode to write to the OPC Server
Read to server
While connected, forces tags to updated from the OPC Server
Add group
While connected, a group can be created to add tags.
OLGA link variables

The OLGA link variables allow the user to specify an OLGA's model to be loaded at the time of starting the
server.
Is OLGA Link
This variable is used to expose the only OLGA variables.
Program Path
Defines the path of the OLGA application. At the time of connecting the OPC Client if the OLGA server is not
running the OPC Client will use this path to initialize it.
Server Case Directory

Folder where the OLGA case is located.
Open Case
Genkey file associated to the OLGA file that will be recalled when the server is initialized.
Wait Time for Server

Time in seconds that the OPC Client will wait to attempt a connection to the OLGA server that is being ini-
tialized. In instances where OLGA requires more time to recall the case this value needs to be increased.
Adding Groups
Use the Add group button to add a group to the client. When a group is selected in the tree, the right hand side
of the form displays the details of the group.
Active
This marks if the group is active or not. Only active groups receive updates.
Update Rate
The rate that the tags in the group is being updated at by the OPC Server
Dead Band
The range through which the input may be varied without a response being initiated.
Write Behaviour
The conditions where the OPC Client will send the OPC Server info. In Manual mode, users will manually
select write to the OPC Server, in Auto mode the OPC Client will write values based on integrator frequency.
Write Integrator Freq

The frequency of writes sent to the OPC Server in integrator time.
Write Mode
The conditions where the OPC Client will send the OPC Server info.
Read Mode
The conditions where the OPC Server will update the OPC Client with values.
Read Behaviour
The conditions where the OPC Client will read values from the OPC Server. In Manual mode, users will manu-
ally select reading from the OPC Server, in Auto mode the OPC Client will read values based on integrator fre-
quency.
Read Integrator Freq

The frequency in integrator time that the OPC Client will retrieve values from the OPC Server.
Condition Mode
Specifies whether the condition is Off or is Variable. When is set to Variable the OPC Server will only Write or
Read if the Variable set in Condition Variable equals 1.
Condition Variable
Contains the Variable to be used to determine if the group can perform its actions.
External Notifications
Enables the group to be notified when the integrator runs out of steps (When running in manual mode)
Action on Connect
Specifies what action will be performed by the group when the OPC Client connects to the server. Auto will sub-
scribe groups that were subscribed. Subscribe will subscribe the group regardless if it was previously sub-
scribed. Force A Read will force a read from the server. Force a Write will force a write to the server and to the
simulator.
Remove Group
The selected group will be removed from the OPC Client.
Dependent Groups
Sets the dependent groups that will trigger their actions (Write or Read) when the group finishes processing its
own actions.
Subscribe
Subscribes to value updates from the OPC Server. Depending on the read mode, and read behaviour, values
will be piped in from the OPC Server accordingly.
Write to Server
Forces tags in the current group that are in write mode to write their values to the OPC Server
Read from Server

Forces tags in the current group to update their value from the OPC Server
The Group Tags Tab displays the tags of the group and allows to add more.
Add Tags...
Add tags to the current group
Remove Tag
Remove the selected tag from the current group
Add Blank
Adds an empty tag. Used to transfer information between simulation variables.
Adding Tags
Use the Add Tags... button to add tags to the current group.
Once items have been added, the form will look as follows
Active
Toggles the tag to be active/inactive. Only active tags will be updated from the OPC Server
Tag ID
The ID of the tag as seen on the OPC Server
Simulator Variable
The simulator variable that is linked to the value of the Tag. In write mode, the value from the simulator value will
be written to that tag on the OPC Server. In read mode, the value from that tag will be piped into the simulator
variable.
Value
The value in the simulator
Srv Value
The current value of the variable in the server
Quality
The quality of the tag
Mode
Current mode of the tag. Can be in Read From Server, Write From Server or Write To Sim. Write to Sim is
used to transfer information within the simulation model.
TimeStamp
The time of the latest update of the tag's value
Simulator Target
Specifies the variable that will receive the value when the tag is in Write to Sim mode.
Example
Connecting the OPC Client
To start using the OPC Client, drag and drop the OPC Client unit op onto the flowsheet of your choice from the
Visio palette.
Double click on the OPC Client unit op to open up the form.
Press the "Add Server" to select the OPC Server to connect to.
This form shows all the OPC Servers that are available on the local machine. Select the desired server from the
list and press OK to initiate the connection. For this example we will select the opc server from VMGSim,
OPC.VMGSim.1. If all was successful, the form will be updated to look like the following:
Alternately, If there are OPC Servers that are not listed on the local machine, the Manual Connection setting
from the Server Selection form will allow for input of a specific OPC server and it's location in the network for
DCOM communication.
The Server ID field is the name of the OPC Server to be connected, and the Server Node field is the network
name or IP address of the machine that the OPC Server is on. If the OPC Server is on the local machine, the
Server Node field can be left blank. In this example, we will attempt to connect to the OPC Server
OPC.VMGSim.1 on \\network-machine.
Once the fields are correct, press OK to initialize the connection. If all was successful, the form will be updated
to reflect the connected client as follows:
Congratulations! The OPC Client unit op is now connected and ready to go.
Adding Groups and Items

Press the "Add Group" button to add a group to the OPC Client. Each group that we add can be used as a con-
tainer for OPC Tags that we add to the OPC Client. On top of keeping the OPC Tags organized, each group
can have it's own reading frequency, read/write behaviors, and activity switch. Pressing the Add Group button
will automatically add a numbered group to the OPC Client.
Now that a group has been added, Tags can be added to the group. Press the "Add Tags..." button to browse
through the available Tags on the current OPC Server.
Select the desired Tags and use the button to add the desired Tags to the list. Alternatively, double click-
ing on the desired Tags will also add them to the list.
Once the list has been finalized, press to add the Tags to the current group.
Tags from the group can be removed by selecting the tag to be removed, and then pressing the but-
ton.
To subscribe and receive live info from the OPC Server, press the button.
Linking simulation variables to OPC Server

Variables from the simulator can be linked to the value being read by the OPC Tag in the simulator variable
column. To set the Simulator Variable, click the corresponding cell and a drop down will appear.
Click on <Browse...> to select the simulator variable to be linked to the OPC Tag. For this example, we will be
using the /S2.In.P variable
Once the desired variable has been selected, press the button, to add it as the "Simulator Variable"
Once that is set, the value of the "TestGroup.S1.T" OPC Tag will be piped into the "/S2.In.P" variable.
The "Mode" must be changed to "Write to OPC Server" in order to write to OPC Tags using the OPC Client.
Select the corresponding mode cell that will be changed and a drop down will appear.
This will now set the OPC Tag to "Write" mode. Here, we will set the value that will be piped into the OPCTag.
Click the Simulator Variable, and navigate to the desired variable. In this example, we will use /S1.In.P again.
Once everything is added, the OPC Tag is ready to be written.
In dynamics, the values from the simulator will be sent to the OPC server as the integrator steps based on a fre-
quency defined in the "Write Integrator Freq" variable. In steady state, the values are sent to the OPC server
after every solve pass. Values are only written to the OPc server if the "Write Mode" is set to Auto and the group
is subscribed.
You can also press the button to force writing the value of that variable into the OPC Tag.
Orifice Meter
Orifice Meter
Main Flowsheet
PFD Stencil
Examples Piping and Flow\GasOrifice.vmp
General
The purpose of the orifice plate is :
Metering Operation : To calculate a differential pressure value for an orifice when given the pipe diameter, ori-
fice diameter, gas/Liquid flow rate and inlet process conditions, or to calculate the flow rate when an orifice dif-
ferential pressure is provided.
Flow Restriction Operation : To calculate orifice diameter, when given the pipe diameter, differential pres-
sure for an orifice, gas flow rate and inlet process conditions.
The permanent pressure drop across the orifice operation is also provided and is used as the deltaP for the
overall flowsheet for this unit operation.
By clicking the Schematic / Connection node you can view a schematic diagram and the connections of the Gas
Orifice Meter.
Summary (Tab)
Main Data
The Main Data frame will contain the following information, by default. These values are either user specified or
calculated by the unit operation.
Delta P
The permanent pressure drop across the orifice.
Measured Orifice Delta P

The measured differential pressure across the minimum diameter of the orifice.
This value can be specified in order to retrieve a calculated value of the flow rate through the orifice or to cal-
culate the orifice diameter .
Orifice Diameter
The specified diameter of the orifice plate.
Pipe Diameter
The specified diameter of the pipe. Note that the user is required to enter a value for the pipe diameter.
Discharge Coefficient
Ratio of the actual discharge to the ideal discharge.
Pressure Loss Fraction

The permanent pressure loss divided by the measured pressure drop, reported as a fraction.
Critical Pressure Ratio

The calculated choke pressure ratio.
Advanced
Standard
The default method for calculating the orifice differential pressure and the permanent pressure drop is “ISO
5167-1/ASME3M”. Alternatively, the “API14/AGA3/ANSI2530” method may be selected. "Custom" allows
explicit selection of the equations to calculate discharge coefficient and expansibility factor.
Fluid Model
The model used to calculate the isentropic coefficient, used in calculations of the expansibility factor and the crit-
ical pressure ratio.
The "Ideal Gas" model sets the isentropic coefficient from Cp/Cv as calculated by the property package at inlet
conditions.This model should be sufficient for standard gas orifices.
The "RO/TwoPhase/Liq" model calculates the isentropic coefficient at inlet conditions or at average conditions
betweeen the feed and vena contrata, in an effort to balance accuracy and performance. This method should
be used when there is liquid flow or when there is a large pressure drop as in a restriction orifice.
"Advanced" allows explicit selection of the method to calculate the isentropic coefficient through the Isen Coeff
Method option.
Isen Coeff Method
The method used to calculate the expansibility factor as well as choke pressure ratio. The options are:
l Hybrid (RO/TwoPhase/Liq model) - If Cp/Cv < 3.0, use Feed Point otherwise use Average
l Feed Point - Use the isentropic coefficient at inlet/feed conditions
l Average - Use the isentropic coefficient based on inlet and choke density
l Cp-Cv - Use Cp/Cv ratio with Cv calculated from Cp and density derivatives
l Cp/Cv (Ideal Gas model)- Use Cp/Cv ratio with Cv calculated by the property package
For ideal gas conditions, all of the options should produce essentially identical results. This is because for an
ideal gas, Cp/Cv ratio is an accurate predictor of sonic velocity/critical pressure ratio. However, for dense fluids,
and particularly near the critical region, using the Cp/Cv ratio may produce large errors in the calculated choke
flow. The most accurate method is Average, but it is also the slowest because it requires an additional isen-
tropic flash calculation to compute the necessary properties. The Hybrid method seeks to balance accuracy and
performance by using the Cp/Cv ratio to decide when the conditions are near the critical point and Average
rather than Feed Point should be used.
Isen Coeff
The calculated Isentropic Coefficient by the above selected calculation method.
TapType
The tap type to be used for the calculations within the unit operation. Currently a Flange, Corner, Radius taps
Material
This frame shows the conditions, composition and properties of the material entering and exiting the orifice
(Port name “In” and Port name “Out”). The Connected Stream/UnitOp displays the streams or units attached to
the Unit operation In and Out Ports.
Settings (Tab)
Numerical Settings
Orifice DP Tolerance
This parameter is the absolute tolerance used to determine convergence on the final pressure when solving for
the flow rate at a specified Measured Orifice Delta P.
Max Step Size

This parameter is the maximum mass flow step size [kg/hr] applied to converge on the final pressure value
when solving for the flow rate at a specified Measured Orifice Delta P. This parameter can be increased or
decreased by an order of magnitude for cases with very small or very large orifice plates.
Max Iterations
This parameter is the maximum number of iterations that are allowed to reach convergence when solving for
the flow rate at a specified Measured Orifice Delta P. The default value is 1000 and may be increased should
convergence difficulties be encountered.
Damping Factor
This parameter is the damping factor applied to the calculated step size when solving for the flow rate at a spe-
cified Measured Orifice Delta P. The default is 1, but the step size can be decreased if convergence difficulties
exist.
Orifice Metering Operation Example

The following example shows how the gas orifice metering operation can be used to determine the differential
pressure and permanent pressure loss across a flange type orifice configuration. The example then illustrates
how you can back-calculate the flow rate at a specified given measured differential pressure. For this example,
information from the first test case in the Alberta Energy and Utility Board’s EUB Directive 017 (Page #69) is
used.
Start a new VMGSim project and using the Advanced_Peng_Robinson property package add the following
components: N2, CO2, H2S, C1, C2, C3, iC4, nC4, iC5, nC5, nC6 and nC7. Switch the unit set to SI by using
the unit set dropdown which is located near the top, right corner of the VMGSim program view. Add a Material
Stream (S1) and input the following specifications:
Temperature (C) 57.0

Pressure (kPa) 2818.09
StdGasVolumeFlow (SCMD) 2753.1
N2 Mole Fraction 0.0184
CO2 Mole Fraction 0.00
H2S Mole Fraction 0.026
C1 Mole Fraction 0.7068
iC4 Mole Fraction 0.0081
nC4 Mole Fraction .0190
iC5 Mole Fraction 0.0038
nC5 Mole Fraction 0.0043
Add a GasOrificeMeter operation and connect S1 to its In port.
The orifice and pipe diameters provided in EUB directive 017 are 0.9525 and 5.237 cm, respectively. Upon spe-
cifying these values the orifice operation will solve and appear as shown below.
The default calculation methods for the given differential pressure (Measured Orifice Delta P) and permanent
pressure drop (Delta P) in the orifice operation are those outlined in ANSI/API 2530. These can be changed to
those outlined in ISO_5167-1 by changing the “Standard” parameter in the “Advanced” frame as shown below.
Please note that both the differential pressure values calculated from each method by this operation have
around a 1.3% error when compared against the EUB Directive 017 values.
If you choose to calculate a gas flow rate, instead of the differential pressure, this can be done by specifying the
“Measured Orifice Delta P” signal port. The operation will then solve for the flow rate as shown in the form view
below.
If you encounter any difficulties in solving for the flow rate, the Numerical Settings in the “Settings” tab may be
adjusted. For very large or very small flow rates the “Max Step Size” value should be increased or decreased to
ensure convergence.
Orifice Meter Dynamics

Orifice Meter
Main Flowsheet
PFD Stencil
General
The purpose of the orifice plate is :
Metering Operation : To calculate a differential pressure value for an orifice when given the pipe diameter, ori-
fice diameter, gas/Liquid flow rate and inlet process conditions, or to calculate the flow rate when an orifice dif-
ferential pressure is provided.
Flow Restriction Operation : To calculate orifice diameter, when given the pipe diameter, differential pres-
sure for an orifice, gas flow rate and inlet process conditions.
The permanent pressure drop across the orifice operation is also provided and is used as the deltaP for the
overall flowsheet for this unit operation.
By clicking the Schematic / Connection node you can view a schematic diagram and the connections of the Gas
Orifice Meter.
Summary (Tab)
Main Data
The Main Data frame will contain the following information, by default. These values are either user specified or
calculated by the unit operation.
Delta P
The permanent pressure drop across the orifice.
Measured Orifice Delta P

The measured differential pressure across the minimum diameter of the orifice.
Any of the above can be specified in order to retrieve a calculated value of the flow rate through the orifice.
Orifice Diameter
The specified diameter of the orifice plate.
Pipe Diameter
The specified diameter of the pipe. Note that the user is required to enter a value for the pipe diameter.
Discharge Coefficient
Ratio of the actual discharge to the ideal discharge.
Pressure Loss Fraction

The permanent pressure loss divided by the measured pressure drop, reported as a fraction.

The calculated choke pressure ratio.
Advanced
Standard
The default method for calculating the orifice differential pressure and the permanent pressure drop is “ISO
5167-1/ASME3M”. Alternatively, the “API14/AGA3/ANSI2530” method may be selected. "Custom" allows
explicit selection of the equations to calculate discharge coefficient and expansibility factor.
Fluid Model
The model used to calculate the isentropic coefficient, used in calculations of the expansibility factor and the crit-
ical pressure ratio.
The "Ideal Gas" model sets the isentropic coefficient from Cp/Cv as calculated by the property package at inlet
conditions.This model should be sufficient for standard gas orifices.
The "RO/TwoPhase/Liq" model calculates the isentropic coefficient at inlet conditions or at average conditions
betweeen the feed and vena contrata, in an effort to balance accuracy and performance. This method should
be used when there is liquid flow or when there is a large pressure drop as in a restriction orifice.
"Advanced" allows explicit selection of the method to calculate the isentropic coefficient through the Isen Coeff
Method option.
Isen Coeff Method
The method used to calculate the expansibility factor as well as choke pressure ratio. The options are:
l Hybrid (RO/TwoPhase/Liq model) - If Cp/Cv < 3.0, use Feed Point otherwise use Average
l Feed Point - Use the isentropic coefficient at inlet/feed conditions
l Cp/Cv (Ideal Gas model)- Use Cp/Cv ratio with Cv calculated by the property package
flow. The most accurate method is Average, but it is also the slowest because it requires an additional isen-
tropic flash calculation to compute the necessary properties. The Hybrid method seeks to balance accuracy and
performance by using the Cp/Cv ratio to decide when the conditions are near the critical point and Average
rather than Feed Point should be used.
Isen Coeff
The calculated Isentropic Coefficient by the above selected calculation method.
Tap Type
The tap type to be used for the calculations within the unit operation. Currently a Flange, Corner, Radius taps
Material
Sizing
Upstream P
The upstream pressure (needed to size valve if the flow is choked)
Delta P
The pressure drop across the valve for sizing
Flow Basis
Selection as to whether to specify mass flow or volume flow for sizing
Vol Flow
Volumetric flow through valve for sizing. (Required if Flow Basis is Volume)
Mass Flow
Mass flow through valve for sizing. (Required if Flow Basis is Mass)
Size (Button)
Pressing this button sizes the Orifice plate. Note that sizing also requires a fluid density. The fluid density will be
calculated based on the current inlet composition and temperature.
Nozzles (Tab)
e.g. a separator
When static head calculations are enabled - nozzle elevation will impact the static head contributions
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
ciencies for feed nozzles, it is best practice to specify them for product nozzles as well

Notes (Tab)
References
Standards:
The standard Equations available for use in the calculation of discharge coefficient and expansibility factor are
described below. The following nomenclature is used:
Variable Definition
Δω Permanent pressure drop across the orifice
ΔP Measured differential pressure across the min-
imum diameter of the orifice
C Discharge Coefficienrt
ε Expansibility Factor
ReD Reynolds number with respect to Pipe Dia-
meter
β Ratio of Orifice Diameter and Pipe Diameter

(d/D)
L1 Distance of the upstream tapping from the
plate/D
L'2 Distance of thedownstream tapping from the
plate/D
P1 Upstream Pressure
P2 Downstream Pressure
κ Isentropic Coefficient
The discharge coefficient, Expansibility factor and Pressure Loss Coefficients are calculated by the following
equation
ISO 5167-1/ASME3M
Reference: ISO 5167-2 : 2003, Measurement of fluid flow by means of pressure differential devices inserted in
circular-cross section conduits running full.
API14/AGA3/ANSI2530
Reference: AGA 3.1 : 1990, Orifice Metering of Natural Gas and other Related Hydrocarbon Fluids: Part 1
Stolz
Reference: Miller, R. W., T., The Stolz and ASME-AGA Orifice Equations Compared to Laboratory Data, J. Flu-
ids Eng. 101, 483-490 (1979).
Overall Balance
Overall Balance
Main Flowsheet
PFD Stencil
General
The Overall Balance is not a typical VMGSim unit operation, in that it has no ports and it does not interact with
the simulation. Rather the Overall Balance, provides a convenient way to configure and view overall energy,
mass and mole balances (or any combination of the three) of a selected flowsheet once it is added to the a flow-
sheet in the simulation. The Overall Balance will detect the input and output streams/ports in the selected flow-
sheet and include them in the original configuration.
Balance Type
Pull down that allows the balances performed by the Overall Balance to be selected. Energy, mass, mole and
any combination of the balance types can be selected.
Flowsheet
Pull down that allows the desired flowsheet or subflowsheet to be selected.
Refresh
The Refresh button must be pressed after the any changes to the simulation are made to ensure that the bal-
ance results are up to date.
Summary (Tab)
Balance Results
The Results of the Overall Balance will be displayed here. This includes the value In the value Out and the Net
value.
Note that the Net value need not always be exactly zero, solver tolerances, reactions and the case con-
figuration can prevent this.
Port Configuration
This Section of the Overall Balance form will list all of the streams/ports that can be included in the overall bal-
ance calculations. There will be a summary of the amount of energy, mass and moles entering or leaving the
simulation for each of the stream/port. A stream/port can be excluded from the overall balance calculations by
checking the Exclude check box. For example:
Settings (Tab)
BalanceType
Same as the Balance Type pull down, allows the balances performed by the Overall Balance to be selected.
Energy, mass, mole and any combination of the balance types can be selected.
Pinch Utility
Pinch Utility
Main Flow sheet
PFD Stencil
Examples Heat Exchange\PinchUtility.vmp
General
The pinch utility calculates an overall composite curve for a group of unit operations for which a heating curve
can be extracted. The user can add as many unit operations of the types, Heater, Cooler, Air Cooler, Heat
Exchanger and Multi Stream Heat Exchanger to this calculation block. The pinch utility can either solve for and
Approach Temperature (pinch) when the Cold and Hot Utilities are specified or it can solve for either utility
when the Approach Temperature (pinch) is specified.
The heating curve of every side is built based on the number of segments set in the Settings tab. This tab also
includes an option to add a point when a change of phase occurs. The number of segments can be defined for
all segments or in a per side basis.
Summary (Tab)
Unit Operation Selection
This frame lists all the unit operations that can be added to the calculations.
The Active column is used to enable them in the calculations and the Type column lists the type of unit oper-
ation. The Pinch Utility will extract information from the active unit operations to build a heating curve per side.
The cold sides are used to build the cold composite and the hot sides are used to build the hot composite. There
has to be at least one cold side and one hot side for the calculations to proceed.The types of unit operations sup-
ported along with the number of sides associated with them are,
Cooler - One side.
Heater - One side.
Air Cooler - One side or two sides when in rating mode. The second side is the Air side.
Heat Exchanger - Two sides
Multisided Heat Exchangers - Sides are defined by the unit operation.
Summary
This frame displays the main variables from the calculations.The pinch utility requires the specification of two
variables out of Approach Temperature, Cold Utility (Specified) and Hot Utility (Specified). A summary plot is
displayed below the main variables with the composite curves, the utility sides and the pinch (approach tem-
perature).
The utilities are assumed to be at the hottest or coldest temperatures of their corresponding composite side and
could conceptually pinch on either end. The calculated Approach Temperature is by default reported ignoring
these potential pinch points on the utility sides but this behaviour could be toggled in the Settings tab.
Approach Temperature
Minimum temperature difference between composite curves. Also referred to as Pinch point. This variable can
be specified.
Hot Temperature at Pinch

Temperature of the hot composite curve where the approach temperature is located.
Cold Temperature at Pinch

Temperature of the cold composite curve where the approach temperature is located.
Overall UA
Overall UA between composite curves.
Average LMTD
Average log mean temperature difference between composite curves.
Cold Utility (Specified)

User specified utility on the cold side. This variable can be specified or back calculated from the approach tem-
perature with the other utility specified.
Hot Utility (Specified)

User specified utility on the hot side. This variable can be specified or back calculated from the approach tem-
peraturewith the other utility specified.
Cold Utility (Calculated)

Total cold utility to heat balance the curves (includes the specified utility).
Hot Utility (Calculated)

Total hot utility to heat balance the curves (includes the specified utility).
Heat Recovery
Total energy recovered between process sides that are not utilities as shown in the image below.
Sides (Tab)
This tab shows the main information related to the end points of each process side of the active unitoperations.
Side Data
Op
Name of the unit operation.
Pass
Displays then names of the feed and product streams per side.
Type
Hot for sides that release energy and cold for the sides that gain energy.
Supply T
Feed temperature per side.
Target T
Outlet temperature per side.
Duty
Negative for hot sides.
DT
Delta temperature defined as Supply T - Target T.
DP
Pressure drop per side.
Side Data (Flows)
Op
Name of the unit operation.
Pass
Displays then names of the feed and product streams per side.
Mole Flow
Mole flow per side.
Mass Flow
Mass flow per side.
In VolFlow
Inlet actual volume flow per side.
Out VolFlow
Outlet actual volume flow per side.
Std Gas Vol

Standard gas volume flow per side.
Std Liq Vol

Standard liquid volume flow per side.
Side Data (Physical Props)
This frame display the main physical properties per side at the inlet and outlet points. The properties included in
this frame are, Vapor Fraction (mole basis), Cp, Enthalpy, Mass Density and Viscosity.
Settings (Tab)
Main Settings
Segmentation Mode
The settings related to how the heating curves are segmented can be set for all the sides (Global) or in a per
side basis (Per Segment). The Segments frame changes accordingly depending on this setting.
Include utilities
The composite curves can include the utilities as part of the curves assuming that they are supplied at the cold-
est or hottest temperatures for the cold and hot composite respectively. The end result is that a pinch can be
reported on the utility sides. This also affects the UA calculations.
The image below shows and example with this setting set to true. The circles show the utility sides that are now
included in calcualtions and on the bottom left corner it is shown how the pinch is now found on a utility side.
This setting is only useful if the utility sides are actually supplied at the end point temperatures.
Segments
View when Segmentation Mode is set to Global
View when Segmentation Mode is set to Per Side
Segments
Number of segments for the heating curves. This number is independent from the number of segments that
may have been set directly on the unit operations.
Track Phase Change

Adds an extra segment when a phase change is found. Provides for more accurate results at the price of the
speed of bubble and dew point calculations.
Composite (Tab)
Displays the profiles of the composite curves which are built by adding all the heating curves per side. The hot
sides are used for the hot composite and the cold sides are used for the cold composite. The total number of
points varies depending on the number of sides and their overlap.
Grand Composite (Tab)

Displays the profiles ofthe grand composite curve (GCC). The GCC is used to represent graphically the dif-
ference between the heat available and required from the hot and cold streams at the pinch temperature. Refer
to Kemp, Ian (Pinch Analysis and Process Integration) for a detailed description of how to use and interpret a
GCC and pinch analysis in general.
Plot (Tab)
Includes the main plots related to the Pinch Utility.
Grand Composite Curve
Composite Curve
Shifted Composite Curve: Composite curves shifted to pinch
Delta T: Hot composite - Cold composite
LMTD
All Sides
Hot Composite Vs Cold Sides
Cold Composite Vs Hot Sides
Hot Composite Vs Cold Sides (Normalized): Shows how the cold sides blend when their temperatures overlap
Cold Composite Vs Hot Sides (Normalized): Shows how the hot sides blend when their temperatures overlap
Pinch Utility Example

The conditions for this example were taken from Seider, et. al (Product and Process Design Principles) 3rd edi-
tion. Example 9.1. This example uses two cold streams and two hot streams with the supply and target tem-
peratures listed below,
Stream T Supply [F] T Target [F] Q [Btu/hr]

C1 120 235 230 E6
C2 180 240 240 E6
H1 260 160 300 E6
H2 250 130 180 E6
Create case that uses Advanced_Peng-Robinson and WATER and create a flowsheet that shown below.
Note that the hot streams are connected to a cooler and the cold streams are connected to a heater.
Use the following specifications for the streams:

H1_In
T [F] = 260
P [psia] = 1 psia
Water composition = 1.0
H1_Out
T [F] = 160
H2_In
T [F] = 250
P [psia] = 1 psia
H2_Out
T [F] = 130
C1_In
T [F] = 120
P [psia] = 100 psia
C1_Out
T [F] = 235
C2_In
T [F] = 180
P [psia] = 1 psia
C2_Out
T [F] = 240
The heaters and coolers are set to have 0 pressure drop (Delta P) and the following duties,
Cooler1
OutQ [Btu/hr] = 3.0 E6
Cooler2
OutQ [Btu/hr] = 1.8 E6
Heater1
InQ [Btu/hr] = 2.3 E6
Heater2
InQ [Btu/hr] = 2.4 E6
Add a pinch utility. The form now looks like this.
You can activate unit operations in any order but for this example we will activate in a specific order to point out
some important aspects when working with the pinch utility.
Activate Cooler1. The unit is still not solved but the status message changes to notify that a cold side is missing.
Now activate Heater1. The pinch utility should automatically solve. The Approach Temperature is found to be
25 F and is located at the right hand side of the composite curves. The calculated cold utility is 7.0e5 Btu/hr. This
is the duty required to balance the system.
Activate Heater2. The system now changes to require a hot utility instead of a cold utility. Now activate Cooler
2. The system is now solved and it warns us that there is a temperature cross with an approach temperature of -
1.16 F.
We can draw the conclusion that a feasible system would require further addition of a utility beyond that
required for the balance. Adding extra utility would "push" the composite curves away from each other, thus
increasing the approach temperature. For this example, lets add 1e6 Btu/hr to the Hot Utility. We now see that
the approach temperature has changed to 21.1 F. We also get an extra status message that reads "Pinch found
on a utility side". This message is only not let us know that if the utilities are available at the coldest or hottest
temperatures, they would be at a pinch (see bottom left corner of picture below ). This message may not be rel-
evant if the utilities are in reality available at different temperatures.
A common scenario is to specify the Approach Temperature and calculate the missing utilities from there. For
this example, unspecify the Hot Utility and specify an approach of 0 F. The composite curves now are cal-
culated at a pinch point.
Pipe Segment
Pipe Segment
Main Flow sheet
PFD Stencil
Examples Piping and Flow\PipeSegment.vmp

Piping and Flow\PipeSegmentwithFittings.vmp
Pipe segments are implemented in order to generate proper pressure and temperature drop conditions for
transported material streams. Within this unit operation, heat losses to ambient temperature and elevation
changes are considered for pipes of specific lengths and roughness. As in other unit operations, different values
can be calculated for the pipe segments with provided information.

Drop down menu used to select the flow model used by the pipe segment to estimate pressure drop and holdup
The pressure drop correlations available for use in the pipe segment are described below. The following nomen-
clature is used:
Variable Definition
Pressure drop due to friction

F Friction factor (its definition depends on the
correlation)
L Pipe length
D Pipe internal diameter
Mass density
v Velocity
Re Reynolds number
Viscosity
Roughness
Single Phase Correlations

Colebrook
Design equations:
where,
Reference: Manning, F., Thompson, R., Oil Field Processing of Petroleum, Volume One, 1991, PennWell.
Churchill
Design equations:
where,
Blasius
Design equations:
where,
Reference: Young, D., Munson, B., Okiishi, T., A Brief Introduction to Fluid Mechanics, 1997, Wiley.
Laminar
Design equations:
where,
Chen
Explicit equation for one phase that gives similar results as Colebrook
Multi Phase Correlations

The section below details the multi phase correlations. As well as a description of the correlation, the different
flow regimes included used by the correlation are listed. A flow regime is the name given to the specific dis-
tribution of the gas and liquid phases within the pipe.
Lockhart-Martinelli
The basis for this method is the assumption that the pressure drop in a two phase system is equal to the pres-
sure drop of each phase multiplied by a factor.
Design equations:
of the gas phase and the liquid phase are obtained separately using the Colebrook correlation.
where n = 4.0 for turbulent flow in the gas and liquid phase, n = 2.88912 for viscous flow in the gas and liquid
phase and n = 3.5 for the rest.
Reference: “Emergency relief System Design Using DIERS Technology”, 1992, AIChE.
BeggsBrill
This is a two phase correlation that takes into account the inclination of the pipe. It is based in the original paper
from Beggs and Brill 1973, including a modification from Brown (1977) for the transition zone.
Reference: Beggs, H. and Brill, J., “A Study of Two-Phase Flow in Inclined Pipes”, Journal Of Petroleum tech-
nology, v25, May 1973, p 607-617.
OLGAS_2P(for two phases), OLGAS_3P(for three phases)

OLGAS is the steady state model of OLGA both property of SPT GROUP.
OLGAS is a mechanistic point model that calculates pressure gradients, liquid hold-up and flow pattern at a spe-
cific section of a pipeline.
These correlations require a special license.
LedaFlow_2P(for two phases), LedaFlow_3P(for three phases)

LedaFlow is the steady state flow model property of Kongsberg
LedaFlow is a mechanistic point model that calculates pressure gradients, liquid hold-up and flow pattern at a
specific section of a pipeline.
These correlations require a special license.
Dukler
The Dukler correlation is a two-phase method developed for use with adiabatic flow. It makes use of the
Flanigan (1958) method to calculate an inclined pressure drop component.
Reference: Dukler, A.E.,et al., “Frictional Pressure Drop in Two-Phase Flow: B. An Approach Through Sim-
ilarity Analysis”, AIChE J., 10, 44, (1964)
Flow Regimes
Annular, Stratified Wavy, Bubbly, Intermittent
Duns-Ros
The Duns-Ros method is a two-phase correlation based on liquid holdup and pressure drop data developed for
vertical flow.
Reference: Duns, H. Jr. and Ros, N.C.J., "Vertical flow of gas and liquid mixtures in wells", Proceedings of the
6th World Petroleum Congress (1963)
Flow Regimes
Bubble, Slug, Mist, Transition
Fogarasi
The Fogarasi method makes use of an "empirical estimate of the prediction method of the liquid phase between
that flowing as a film on the wall and that entrained in the gas core" for well bores.
Reference:Govier, G. W. and Fogarasi, M., "Pressure Drop in Wells Producing Gas and Condensate", J. Can.
Petrol. Technol., 14, No. 4, 28 (1975)
Flow Regimes
Bubble, Slug, Froth, Mist
Eaton
The Eaton correlation makes use of the Dukler pressure drop correlation, but uses an updated liquid holdup cal-
culation based on liquid holdup data from Eaton et al. (1967).
Reference: Eaton, B.A., Andrews, D.E., and Knowles, C.R. “Prediction of Flow Patterns, Liquid Holdup, and
Pressure Loses Occurring during Continuous Two-Phase Flow in Horizontal Pipelines”, J. Petrol. Technol., 19,
815 (1967)
Flow Regimes
Annular, Stratified Wavy, Stratified, Bubbly, Intermittent
Orkiszewski
The Orkiszewski correlation is an extension of the Griffith and Wallis (1961) method. It is able to predict within
10 percent two-phase pressure drop in flowing and gas-lift production wells under a range of well conditions.
Reference: Orkiszewski , J., "Predicting Two-Phase Pressure Drops in Vertical Pipe", J. Petrol. Technol., 19,
829 (1967)
Flow Regimes
Bubble, Slug, Mist, Transition
Mandhane
Mandhane, Gregory and Aziz developed a prediction method for the holdup as well as fricitional pressure drop,
which was based which correlation matches data based on flow regime. The correlations used are detailed in
the references below.
Reference: Mandhane, J.M, Gregory, G.A., and Aziz, K., "A Flow Pattern Map for Gas-Liquid Flow in Hori-
zontal Pipes", J. Petrol. Technol., 1, 537 (1974)
Mandhane, J.M, Gregory, G.A., and Aziz, K., "Critical Evaluation of Holdup Prediction Methods for Gas-Liquid
Flow in Horizontal Pipes", J. Petrol. Technol., 27, 1017 (1975)
Mandhane, J.M, Gregory, G.A., and Aziz, K., "Critical Evaluation of Fricition Pressure Drop Prediction Methods
for Gas-Liquid Flow in Horizontal Pipes", J. Petrol. Technol., 29, 1348 (1977)
Flow Regimes
Bubble, Stratified, Wave, Slug, Annular Mist, Dispersed Bubble
Petalas
A mechanistic model for two phase flow which accounts for flow regimes and pipe inclination
Reference: Petalas, N., and Aziz, K., "A Mechanistic Model for Multiphase Flow in Pipes," Proceedings of the
49th Annual Technical Meeting of the Petroleum Society of the Canadian Institute of Mining, Metallurgy and Pet-
roleum, Calgary, Alberta, June 8-10, 1998.
Flow Regimes
Intermittent, Dispersed Bubble, Stratified Wavy, Smooth, Annular Mist, Froth, Bubble, Elongated Bubble, Slug
Oliemans and Oliemans_3P

A mechanistic model for two and three phase flow which accounts for flow regimes and pipe inclination. The
three phase model requires a special 'Upstream' license.
Reference: Multiphase Flow Handbook, Ch. 2. Clayton T. Crowe (editor), CRC Press, ISBN 978-0849312809
Flow Regimes
Intermittent, Dispersed Bubble, Stratified Wavy, Smooth, Annular Dispersed, Bubble, Annular
Filter
Filters to narrow down pipe correlation options. Choices are "Single Phase Low Re", "Single Phase High Re",
"Multi Phase Pipeline", "Multi Phase Wellbore" and "All".
Pipe Selection
priate roughness and click "Apply Selection" to add the dimensions to the pipe segment.
Material
Source
Type
Roughness
priately converted roughness value. If no choice is made a roughness value will not be added to the pipe
segment and a value must be added manually in the Energy\Signal port area.
Pipe Selection List

Pipe Flow Path Viewer

Click this link to open the Flow Path Viewer form, which displays pipe profiles and flow assurance analysis for
multiple pipes along a flow path. See Pipe Flow Path Viewer section for further detail.
Summary(Tab)
This first tab, “Summary” for the pipe segment, shows values of the variables of the material ports entering and
leaving the unit. Also included is any signal ports used in calculations such as the pipe diameter or heat
exchange rate to the surrounding environment.
Main Data
Delta P
The total pressure drop across the pipe segment.
OutQ
The amount of energy transferred from the fluid in the pipe to the atmosphere.
U
The overall heat transfer coefficient between the fluid inside the pipe segment and the surrounding atmosphere
based on the inner area of the pipe segment.
Heat Transfer Calc Type

This option sets the heat transfer calculations to be Adiabatic, Simple, or Detailed. Adiabatic calculations
assume that there is no heat transfer between the pipe fluid and outside. An additional Heat Transfer tab will be
visible when this option is set to Simple or Detailed. See the Heat Transfer tab section for more detail.
Outside Data
This drop down allows the surrounding heat source data such as external temperature for the heat transfer to
be specified locally (Specify) or to be based on the global conditions defined in the flowsheet (Ambient). This
option applies for External T and External Air/Water Velocity (when applicable).
External T
The temperature of the pipe segment surroundings. It is set to 77°F (25°C) by default.
Number of Sections
This defines the number of sections used for calculations in the pipe segment.
Pipe Data
Contains the dimensions of the pipe
Total Length
The length of the pipe segment.
Elevation Profile...
Click this link to open the Elevation Profile view in the Pipe Detail tab.
Elevation In
The (absolute) elevation at the inlet of the pipe segment.
Elevation Out
The elevation at the outlet of the pipe segment. The change in elevation is determined by subtracting Elevation
In from Elevation Out
Inner Diameter
The inner diameter of the pipe segment. The inner diameter can be specified manually or specified using the
pipe selection button. The inner diameter is used as the basis for the pipe segment's heat transfer calculations.
It will be calculated if the outer diameter and thickness are specified.
Outer Diameter
The outer diameter of the pipe segment. The outer diameter can be specified manually or specified using the
pipe selection button. An Outer Diameter is not necessary for the pipe segment to solve. It will be calculated if
the Inner Diameter and Thickness are specified.
Thickness
The thickness of the pipe wall. It is equivalent to the difference between the outer diameter and inner diameter,
and will be calculated from these if not specified.
Roughness
The roughness of the pipe segment, this can be entered manually or specified using the pipe selection button.
Results
Contains calculated variables to track inventory and other performance indicators
Velocity In
Inlet velocity to the pipe
Velocity Out
Outlet velocity from the pipe
Inventory
Line Pack
Total standard volume of gas contained in the line at standard conditions
Liquid
Total actual volume of liquid in the line
Oil
Total actual volume of liquid hydrocarbon in the line
Water
Total actual volume of liquid water in the line
Material
Shows the connected objects and the inlet and outlet port information.
Pipe Detail (Tab)

This tab is used to view and specify detail per section, including the elevation profile, diameter per section, and
fittings.
No of Sections
This defines the number of sections used for calculations in the pipe segment and for detailed specifications like
the elevation profile.
Import (Filtered) Elevation Profile

Import pipeline distance and elevation coordinates from a csv file into the VMGSim pipe model by clicking the
"Import Elev Profile..." button in the Pipe Detail tab.
Navigate to the appropriate .csv file and click "Open".
File Format
Example Piping and Flow\ImportElevationProfile.csv
The first row in the csv file may be a column heading.
The file must have coordinate data in the first 2 columns: cumulative distance in the first column and elevation in
the second column. Data may be in feet or meters.
Additional GIS data may be provided to calculate 3D Bend K values. Two alternative sets of data are sup-
ported:
Latitude & Longitude
Latitude in the third column and Longitude in the fourth column, in Degrees.
Bend Angle
Bend angle in the third column.
Bend angle for a coordinate i may be calculated from its latitude and longitude and the previous 2 coordinates'
latitudes and longitudes.
The suggested formulas to do this are included below, using the following nomenclature,
Variable Definition
latitude of i-th coordinate (radians)
longitude of i-th coordinate (radians)
initial bearing from the previous coordinate and the i-th coordinate(degrees)
change in initial bearing between the previous coordinate and the i-th coordinate (degrees)
internal bearing angle between the (i-1th) and i-th coordinate (degrees)
cumulative distance from the first coordinate to the i-th (m/ft)
elevation at the i-th coordinate (m/ft)
surface angle between the (i-1)-th and the i-th coordinate (degrees)
change in surface angle between the (i-1)-th and the i-th coordinate (degrees)
total combined angle between the i-th coordinate and the 2 previous coordinates (degrees)
bend angle between the i-th coordinate and the 2 previous coordinates (degrees)
Excel:
[bearing2] =MOD(DEGREES(ATAN2(SIN(lon2 - lon1)*COS(lat1),COS(lat1)*SIN(lat2)-SIN(lat1)*COS
(lat2)*COS(lon2-lon1)))+360,360)
[deltab3] =ABS(bearing3-bearing2)
[beta3] =IF(deltab3>180,360-deltab3,deltab3)
Excel:
[theta2] = DEGREES(ATAN2(elev2 - elev1,dist2-dist1))
[deltaTheta3] = ABS(theta3-theta2)
Excel:
[alpha3]=DEGREES(ACOS(COS(RADIANS(beta3))*COS(RADIANS(deltaTheta3))))
[bend3]=IF(beta3>90, 180-alpha3, IF(deltaTheta3>90, 180-alpha3,alpha3))
Note that the first 2 coordinates would have blank values for the bend angle.
Import Settings & Preview
The Filter and Import Elevation Profile window will appear after a file is selected.
The Raw Profile represents the coordinate data read from the csv file. A data filtering algorithm is used to
provide the best fit from this raw data to a Filtered Profile with a more manageable number of pipe sections.
Raw Data Source
Raw Data Source

The path to the selected csv file.
Load File...
Click this button to import data from a different csv file.
Raw Profile
Distance & Elevation Units

Select ft/m to indicate if Distance and Elevation data in the file is in feet or meters.
No. of Data Points

Number of coordinates that were read from the csv file.
Filtered Profile
No. of Sections Requested

Specify the number of sections to use for the filter.
A data filtering algorithm will attempt to provide the best fit to model the the raw elevation profile of the pipe with
this number of sections.
Changing this specification will provide a live preview of changes to the Filtered Profile.
No. of Sections in Filtered Profile

The number of pipe sections that the data filtering algorithm required to fit the raw data.
This number may be different from the No. of Sections Requested, because the algorithm requires sections to
be a multiple of 3, and because zero-length segments are excluded.
Complexity
The pipeline profile indicator as defined by Barrau (“Profile indicator helps predict pipeline holdup, slugging”, Oil
& Gas Journal Vol. 98, Issue 8, p. 58-62, Feb 21, 2000).
Import Options
Calculate K from (3D) Bend Source Data

Select to calculate K values from GIS data in the file. If not selected, K values will be set to 0.0 when the profile
is imported.
3D Bend Source Data

The GIS data provided in the file to calculate K values. Applicable when "Calculate K from (3D) Bend Source
Data" is selected.
Two options are supported: Latitude and Longitude, and Beng Angle [see File Format section above for details]
K Calculation (Status)
Indicates success or failure of K calculations from (3D) Bend source data. Failure indicates that the file did not
contain the expected data or format.
Data must be in the format selected in "3D Bend Source Data" [see File Format section above for details]
Import Profile
Clicking either of these buttons will result in specification of No. of Sections, Length, Elevation, and K values of
the pipe.
Import Raw Profile

Click this button to import the complete Raw Profile into the pipe model.
Import Filtered Profile

Click this button to import the Filtered Profile into the pipe model.
Specify Detail
Elevation Profile
Select to specify elevation changes through the pipe segment. If this is not selected, the elevation profile will be
calculated as a linear path between the specified Elevation In and Elevation Out.
Fittings / K
Select to specify fittings within the pipe segment. Fittings can be specified in the "Fittings and Geometry" view of
the Detail table when this "Fittings / K" checkbox is selected.
Fitting Type
The different pipe fittings that are available in VMGSim are detailed below. The pipe fitting provides a K value
obtained from the Crane pipe fitting manual.
User Specified
This allows for a user specified K value. Neither the fitting diameter or the fitting angle are required. All that is
entered is the K value.
Contraction
This allows for the modeling of a pipe contraction. The pipe contraction using the pipe diameter of the preceding
and following pipe diameters to calculate the K value. If both pipe diameters are the same, then the K value will
be 0. Also, if the next pipe diameter is larger than the previous pipe diameter, the K value will also will be set to
0, as this no longer models a contraction. The fitting diameter shown is set to be the preceding pipe diameter;
however, both the preceding and the following pipe diameters are used for calculations.
Enlargement
This allows for the modeling of a pipe expansion. The pipe expansion using the pipe diameter of the preceding
be 0. Also, if the next pipe diameter is smaller than the previous pipe diameter, the K value will also will be set to
0, as this no longer models an expansion. The fitting diameter shown is set to be the preceding pipe diameter;
Gate Valve
This allows for the modeling of a gate valve. Both the fitting diameter and fitting angle are required as per the dia-
gram above.
Conventional Globe Valve
This allows for the modeling of a conventional globe valve. The fitting diameter is required as per the diagram
above. The fitting angle is not required for this fitting, and is therefore left as 0 degrees.
Y-Pattern Globe Valve
This allows for the modeling of a y-pattern globe valve. The fitting diameter is required as per the diagram
Conventional Angle Valve
This allows for the modeling of a conventional angle valve. The fitting diameter is required as per the diagram
Angle Stop-Check Valve
This allows for the modeling of an angle stop-check valve. The fitting diameter is required as per the diagram
Conventional Swing Check Valve
This allows for the modeling of a conventional swing check valve. The fitting diameter is required as per the dia-
gram above. The fitting angle is not required for this fitting, and is therefore left as 0 degrees.
Clearway Swing Check Valve
This allows for the modeling of a clearway swing check valve. The fitting diameter is required as per the dia-
Lift Valve - 1
This allows for the modeling of a lift valve. The fitting diameter is required as per the diagram above. The fitting
angle is not required for this fitting, and is therefore left as 0 degrees.
Lift Valve - 2
Tilting Disc Check - 5 Deg
This allows for the modeling of a tilting disc check valve, tilted at 5 degrees, as shown above. The fitting dia-
meter is required as per the diagram above. The fitting angle is not required for this fitting, and is therefore left
as 0 degrees.
as 0 degrees.
Stop-Check Valve - Globe
This allows for the modeling of a globe stop check valve. The fitting diameter is required as per the diagram
Stop-Check Valve - 1
This allows for the modeling of a stop check valve. The fitting diameter is required as per the diagram above.
The fitting angle is not required for this fitting, and is therefore left as 0 degrees.
Poppet Disc Foot Valve
This allows for the modeling of a poppet disc foot valve. The fitting diameter is required as per the diagram
Hinged Disc Foot Valve
This allows for the modeling of a hinged disc foot valve. The fitting diameter is required as per the diagram
Ball Valves
This allows for the modeling of a ball valve. Both the fitting diameter and fitting angle are required as per the dia-
gram above.
Butterfly Valves
This allows for the modeling of a butterfly valve. The fitting diameter is required as per the diagram above. The
fitting angle is not required for this fitting, and is therefore left as 0 degrees.
Straight-Way Plug Valve
This allows for the modeling of a straight-way plug valve. The fitting diameter is required as per the diagram
Mitre Bend
This allows for the modeling of a mitre bend. The fitting diameter is specified to be the same as the leading pipe
diameter. The mitre bend can model a 0, 15, 30, 45, 60, 75, or 90 degree bend. The fitting angle can be entered
to be any angle, and will be rounded to whichever of these two values it is the closest to.
Pipe Bend
This allows for the modeling of a 90 degree pipe bend. Since the angle is fixed to 90 degrees, this is not required
to be entered. Also, the fitting diameter is the same as the preceding pipe. However, the radius of curvature is
required for the pipe bend. This is entered in the fitting diameter cell where the fitting diameter would normally
be. Only specific radius of curvature to pipe diameter ratios are allowed. These are: 1, 1.5, 2, 3, 4, 6, 8, 10, 12,
14, 16, and 20. If the radius of curvature entered provides a ratio other than this, the radius of curvature will be
rounded such that the nearest ratio will be used.
Return Bend
This allows for the modeling of a return bend. The return bend diameter is set to be the same as the preceding
pipe diameter. Also, since the return bend is a specific fitting, the fitting angle is also not required.
Elbow
This allows for the modeling of an elbow. The fitting diameter is specified to be the same as the leading pipe dia-
meter. The elbow can model a 45 degree or a 90 degree elbow. The fitting angle can be entered to be any
angle, and will be rounded to whichever of these two values it is the closest to.
Pipe Exit
This allows for the modeling of a pipe exit. The pipe exit specifies the K value to be 1. The pipe exit diameter is
set to be the same as the preceding pipe diameter. No fitting angle is required for a pipe exit.
Fitting Diameter
Fitting diameter is the diameter defined for the specified fitting type. This is shown in the fitting diagram if it is
required. If the fitting angle is not required then it cannot be entered. The required fitting angle for each fitting is
detailed in the explanation of each fitting type.
Fitting Angle
Fitting angle is the angle defined for the specified fitting type. This is shown in the fitting diagram if it is required.
If the fitting angle is not required then it cannot be entered. The required fitting angle for each fitting is detailed in
the explanation of each fitting type.
K
K is the K-value calculated from Crane's pipe fitting reference based on the fitting type.
Reference
Crane Co., “Flow of Fluids through Valves, Fittings and Pipe”, Crane Technical Paper No. 410, New York,
1991.
Overall
Total Length
The length of the pipe segment. Calculated from the length of each section if specified per section.
Elevation In
Elevation Out
The elevation at the outlet of the pipe segment. Calculated from the elevation change between the last two sec-
tions if the elevation profile is specified. The overall change in elevation is the difference between Elevation In
and Elevation Out.
Inner Diameter
Outer Diameter
Thickness
Roughness
Specify per Section
Diameter
Select this checkbox to specify different diameters within the pipe. The diameter per section can be specified in
the Geometry view of the Detail table when this checkbox is selected.
Spec
The options to specify the diameter per section, allows the specification of 2 out of the 3 (Inner Diameter, Outer
Diameter, Thickness) profiles.
Roughness
A different roughness can be specified for each segment of the pipe. This is selected here. The roughness per
section can be specified in the Geometry view of the Detail table when this checkbox is selected.
Length As
Option to specify length per section as Section Length or Cumulative Length. This option is available when any
detail is specified: elevation profile, diameter, roughness, or fittings.
Elevation As
Option to specify elevation as change per section (Delta Elevation) or absolute Elevation (y). This option is avail-
able when the Elevation Profile checkbox is selected so the profile is specified.
Settings
Total Length In
Select the scale of units to use for the pipe length: Medium Scale or Long Scale. The actual units from this
choice depend on the active unit set and are shown in parentheses. This setting affects reporting units of Total
Length, Cumulative Length, Section Length, and Distance (x) values.
Fittings Spec
Select to specify fittings, which are used to estimate K values, or to specify K values directly. The latter is equi-
valent to selecting "User Defined" fittings for all sections, and is applicable when a profile is imported with 3D
Bend data (see Import Elevation Profile section for details). This option is available after the option to "Specify
Fittings / K" detail is selected.
View Detail
Elevation Profile
View the elevation profile table and plot. Specify the profile directly if the option to specify elevation profile is
selected. The two columns in the table will match the selections of "Specify Length As" and "Specify Elevation
As".
Fittings and Geometry

View Fittings, Diameter, and Roughness values per section. Fittings values are shown if the option to "Specify
Fittings / K" and "Spec Fittings" are selected.
Specified
Select to view all geometry profiles that are specified. This will include the Elevation profile if the "Specify Elev-
ation Profile" option is selected, the diameter profiles if the "Specify Diameter per Section" option is selected,
and the roughness profile if the "Specify Roughness per Section" option is selected..
Length and Elev

Select to view all length and elevation values per section, whether these are specified or calculated.
Length
Length of each pipe section. If no profiles are specified, the total length is evenly divided between the number of
sections.
Cum. Length
The cumulative length at the end of each section, measured from the pipe inlet. If no profiles are specified, the
total length is evenly divided between the number of sections.
Delta Elev
The elevation change over each section in the pipe. The overall elevation change, calculated from Elevation In
and Elevation Out, is evenly divided between the number of sections when the elevation profile is not specified.
Elevation
The (absolute, y) elevation of the end of each pipe segment. This profile is linear from Elevation In to Elevation
Out if not specified.
Diameter
Select to view all diameter and roughness values per section, whether these are specified or calculated.
Inner Diameter
Inner diameter of each section. All values are the same as the overall Inner Diameter if the "Diameter Per Sec-
tion" option is not selected. Othewise, they are either specified directly in this view or calculated from Outer Dia-
meter and Thickness if the Spec As "OD & Thickness" option is selected.
Outer Diameter
Outer diameter of the pipe wall in each section. All values are the same as the overall Outer Diameter if the "Dia-
meter Per Section" option is not selected. Othewise, they are either specified directly in this view or calculated
from Inner Diameter and Thickness if the Spec As "ID & Thickness" option is selected.
Thickness
Pipe wall thickness in each section. All values are the same as the overall Thickness if the "Diameter Per Sec-
tion" option is not selected. Othewise, they are either specified directly in this view or calculated from Inner Dia-
meter and Outer Diameter if the Spec As "ID & OD" option is selected.
Roughness
Roughness of each section. All values are the same as the overall Roughness if the "Roughness Per Section"
option is not selected.
Profiles (Tab)
General (Tab)
This tab displays profiles of pipe property values from the pipe inlet through each section outlet, in both plot and
tabular form.
Add/Remove
Use this button to edit the collection of Installed Profiles- the profiles that can be selected for viewing in the plot
or table. Clicking this button opens the following form.
"Available properties" on the left lists all properties that can be added to Installed Profiles, and "Show property
profiles" on the right lists profiles that have been added. The > and < buttons shift the selected properties from
one list to the other, and the >> and << buttons shift all of the properties from one list to the other.
Oil/Water profiles are available when a 2-phase or 3-phase pressure drop correlation is active. Fittings profiles
are available when fittings are active. Detailed heat transfer profiles are available when Detailed heat transfer
calculations are active.
Plot
Select this view to show profiles in a plot.
X Axis
Pull down menu to change the variable plotted on the X axis. The options include default properties which are
always available as well as all Installed Profiles.
Y Axis
Pull down menu to change the variable plotted on the Y-axis. The options include default properties which are
Y2 Axis
Pull down menu to change the variable plotted on the second (right) Y-axis. The options include default prop-
erties which are always available as well as all Installed Profiles. Select "<Hide>" to hide this axis.
Plot Window
The user can zoom into the plot window by clicking and holding the left mouse button and dragging the mouse
to create a zoom window of a desired section. Press the Esc key to unzoom. The size of the plot window can be
increased by right clicking on it. This will make the plot window occupy the entire plot tab and cause the plot con-
trols to disappear, to make the plot control reappear right click on the plot window.
Plot control
Click the arrow on the top right hand corner of the plot to expose more options.
Check Boxes
Allow user to toggle several basic plot window configuration items. For example, switch between a Black &
Advanced…
Allows for advanced configuration of the plot window, clicking the Advanced button will bring up the following
form:
Save As JPG…
Copy
Print…
Table
Select this view to show profiles in tabular form.
The Installed Profiles frame on the left lists all profiles that are available to view in the table. This list includes
default profiles and profiles that have been added through the Add/Remove dialog. Select the
"Active" checkbox of a profile to show it on the table. Select the "Active" checkbox next to "All" at the top of the
list to set all profiles in the list as Active and show all on the table. Clear this checkbox to hide all profiles.
Velocity (Tab)
This tab shows data that is useful in analysis of the velocity performance of the pipe. This includes a detailed
breakdown of the calculated velocity by phase, as well as velocity limits due to erosion and sonic conditions.
Plot
Select this option to view selected profiles in a plot.
Table
Select this option to view selected profiles in a table.
Process Velocity
Bulk
Velocity of the bulk fluid through the pipe. The maximum value in the pipe is shown along with to the option to
show the profile in the table or plot.
Gas
Velocity of the gas / vapor phase through the pipe. The maximum value in the pipe is shown along with to the
option to show the profile in the table or plot.
Liquid
Velocity of the bulk liquid phase through the pipe. The maximum value in the pipe is shown along with to the
Superficial Velocity
Gas
Superficial velocity of the gas/vapor phase. This is the volumetric flow rate of the phase per cross sectional area
available for flow. The maximum value in the pipe is shown along with to the option to show the profile in the
table or plot.
Liquid
Superficial velocity of the bulk liquid phase. This is the volumetric flow rate of the phase per cross sectional area
table or plot.
Speed of Sound
Active
Select this checkbox to show the speed of sound profile in the table or plot, as well as to expose related results
in the frame (below).
Status
Shows "OK" if the bulk fluid velocity is below the speed of sound through the pipe, otherwise shows "Choked"
warning.
Mach
The maximum Mach No. through the pipe. This indicates the maximum ratio of velocity to speed of sound.
Erosional Velocity Limit (API-RP-14E)
Active
Select this checkbox to show the erosional velocity limit profile in the table or plot, as well as to expose related
results in the frame (below).
Flow Regime
Select the regime that applies to the pipe in service. This regime determines the erosional velocity constant in
the API-RP-14E two-phase correlation, where:
l Continuous Service, No Sand = 100
l Intermittent Service, No Sand = 125
l Sand Present < 100
l Corrosion Controlled (with inhibitors) < 150 and < 200
l User Defined allows direct specification of the constant.
Status
Shows "OK" if the bulk fluid velocity is below the erosional velocity limit through the pipe, otherwise shows "Velo-
city Above Limit" warning.
Other
This frame is only available when viewing the velocity Table. It lists other profiles that can be shown in the table.
Select the checkbox to add the profile to the table.
Note that any of these profiles can be viewed in the plot by selecting it from the Y2 Axis drop down menu.
Solids Formation (Tab)

This tab shows data that is useful in analysis of phase changes along the pipe. This includes hydrate and wax
prediction along with a phase envelope.
Pipeline Path
Select to view active solids formation temperature and the pipe temperature profiles along the pipe path (cumu-
lative length). The Y Axis can be T, where pipeline T is plotted next to solids formation temperatures, or App T,
where the approach to each active phase formation T is plotted instead.
Envelope
Select to view a Pressure-Temperature phase diagram along with the Pressure-Temperature profile of the act-
ive solids formation lines. This plot also includes the pipe T and P at each section.
IMPORTANT: The phase envelope is on a dry basis.
Hydrates
Active
Select this checkbox to show hydrate formation in the plot and to expose related settings and results in the
frame (below).
Shortcut Hydrate
Select to use a quick hydrate estimation method that does not re-flash during hydrate estimation calculations.
Accuracy of results become closer to rigorous method the closer that process conditions near hydrate formation
conditions.
Check
Option of points to check for hydrate formation calculations.
Inlet & Outlet
Calculate hydrate formation at the inlet and outlet of the pipe. This setting provides a rough check of the
approach to hydrate formation. Recommended as a default first check to optimize speed.
All Sections
Calculate hydrate formation at the inlet of the pipe and the outlet of each section.
Status
Shows "OK" if the fluid temperature is above the hydrate formation temperature through the pipe, otherwise
shows "Hydrate Formed" warning.
Min Hyd App T [F]

The minimum difference between the fluid temperature and the hydrate approach temperature. This value will
be negative if hydrates are formed in the pipe, indicating the minimum temperature increase required to prevent
hydrate formation.
Wax
Active
Select this checkbox to show wax appearance in the plot and to expose related settings and results in the frame
(below).
Check
Option of points to check for wax appearance calculations.
Inlet & Outlet
Calculate wax appearance at the inlet and outlet of the pipe. This setting provides a rough check of the
approach to wax appearance. Recommended as a default first check to optimize speed.
All Sections
Calculate wax appearance at the inlet of the pipe and the outlet of each section.
Status
Shows "OK" if the fluid temperature is above the wax appearance temperature through the pipe, otherwise
shows "Wax Formed" warning.
Min Wax App T [F]

The minimum difference between the fluid temperature and the wax appearance temperature. This value will
be negative if wax appears in the pipe, indicating the minimum temperature increase required to prevent wax
appearance.
Phase Criteria
Molar fraction at which the wax phase appears in the mixture. This parameter is used for tuning wax appear-
ance prediction.
Component Tracking (Tab)

This tab shows component profiles along the pipe path (cumulative length). It is used to track component con-
centration or amount through the pipe.
Basis
Select the type of profiles to plot in the Y Axis: Composition (Mole/Mass Fraction) or holdup Amount
(Moles/Mass).
Tracking Profiles
Select which component profiles to plot. Allows selection of the component and the phase.
Heat Transfer (Tab)

This tab is visible when heat transfer is calculated, i.e. when Heat Transfer Calc Type is not set to Adiabatic.
The tab contains all variables required to calculate heat transfer in the pipe along with detailed results.
Calc Type
Select the level of detail to be applied in heat loss calculations.
Simple
Calculate heat transfer from a specified U or Duty.
Detailed
Calculate heat transfer from correlations. This setting can take into account the inner heat transfer coefficient,
buried pipe conditions, air or water convection, conduction through pipe wall and additional (ex. insulation) lay-
ers, and radiant heat transfer.
Simple Heat Transfer
Overall
OutQ
U
Outside Data
This drop down allows the external T to be specified locally (Specify) or to be based on the global conditions
defined in the flowsheet (Ambient).
External T
Specify Per Section
Q/U
Select to specify Q or U per section instead of as an overall value for the pipe. A drop down will appear after this
is selected to indicate which of the two properties is specified.
External T
Select to specify External T per section instead of as an overall value for the pipe.
Spec Length As
Option to specify length per section as Section Length or Cumulative Length. This drop down will appear if any
of the above are specified per section, and no profiles in the Pipe Detail tab are specified per section.
Section Detail (Tab)

This tab shows heat transfer values per section, whether these are calculated or specified per section (as indic-
ated in frame above).
Length / Cum. Length

Length of each pipe section. If Cumulative Length is specified, this column will show Cumulative Length from
the pipe inlet.
Q
The amount of energy transferred from the fluid in the pipe section to the atmosphere. The overall duty is evenly
distributed to all sections when this overall OutQ is specified. Otherwise, the Q per section is specified directly in
this view when "Q Per Section" option is selected, or calculated from U of each section.
U
The overall heat transfer coefficient between the fluid inside the pipe section and the surrounding atmosphere
based on the inner area of the pipe section. All values are the same as the overall U if the "U Per Section" option
is not selected. Othewise, they are specified directly in this view or calculated from Q, the duty of each section.
External T
The temperature of the pipe segment surroundings. All values are the same as the overall External T if the
"External T Per Section" option is not selected. Othewise, they are specified directly in this view.
Process T
Temperature of the process fluid at the inlet of each section.
Plot (Tab)
This tab shows a plot of the Process T, External T, and Q Loss (cumulative energy transferred from the pipe to
the atmosphere) along the pipe (cumulative length).
Detailed Heat Transfer
Overall
OutQ
The energy transferred from the fluid in the pipe to the atmosphere (calculated).
U
Outside Data / Surface Data

This drop down allows the surrounding data such as air/water temperature to be specified locally (Specify) or to
be based on global conditions defined in the flowsheet (Ambient). This applies to Air / Water T and External
Air/Water Velocity (where applicable).
It will be labeled "Surface" Data when the pipe is buried, as it applies to above-ground conditions.
Air / Water T
The temperature of the pipe segment (above-ground) surroundings. It will be labeled Air or Water based on the
selected convection correlation for Outer Heat Transfer.
Air Velocity
The air velocity perpendicular to the pipe's length. Visible when outer heat transfer correlation is set to Forced
Conv. Air.
Water Velocity
The water velocity perpendicular to the pipe's length. Visible when outer heat transfer correlation is set to
Forced Conv. Water.
Buried Pipe
Select to indicate that the pipe is at least partially below ground. A Buried HT Correlation will be used to cal-
culate the outer heat transfer coefficient. Some buried heat transfer correlations will take into account the sur-
face heat transfer coefficient as well.
Burial Depth
The average depth at which the centre of the pipe is buried. If the pipe is partially buried a weighted average of
the exposed and buried heat transfer coefficients is applied.
Ground T
Temperature of the soil around the buried portion of the pipe. This is used to calculate the outer heat transfer
coefficient when the pipe is fully buried and the Buried HT correlation is not set to "Surface-T Based".
Ground Type
Material type around the buried portion of the pipe, used to estimate the conductivity of the ground.
(Ground) Conductivity
The thermal conductivity of the ground material that the pipe is buried in.
Outer Heat Transfer
Buried HT Corr
The correlation used to calculate the outer HTC for the buried fraction of the pipe.
Zakarian
This correlation is recommended for pipes at any depth. It takes into account Ground T if the pipe is fully buried,
as well as heat transfer resistance to the surface (air/water) T. (Oh, D. Park, J.M. Zakarian, E. and Lee, J,
2014)
Surface T-Based
This correlation is recommended for pipes buried close to the surface. It assumes thermal equilibrium between
the ground and the surface regardless of burial depth, so the heat transfer resistance is calculated to surface
(air/water) T. The surface resistance is calculated from the selected Surface Correlation.
In earlier versions of VMGSim this was knows as the "Modified Burial Corr".
Ground T-Based
This correlation can be used for pipes buried deep underground. It assumes heat transfer resistance to Ground
T if the pipe is fully buried. Otherwise surface T dominates.
The equation below is used to calculate the outer heat transfer coefficient for the pipe. (Yong Bai & Qiang Bai,
2005)
This correlation was used in earlier versions of VMGSim when a pipe was buried and not using the "Modified
Burial Corr".
Correlation / Surface Corr

The correlation used to calculate the outer heat transfer coefficient, between the pipe wall and the outside con-
ditions. This is labeled "Surface Corr" if the pipe is buried, and used to calculated the above-ground heat trans-
fer coefficient.
Constant
ted.
Free Conv. Air

This option assumes all heat transfer on the outside of the pipe is caused by natural convection of dry air at 1
atmosphere of pressure. The calculations use the general form of the Nusselt equation with a relation between
the Prandtl and Grashof numbers and the film coefficient dependent on elevation (horizontal, vertical, or
slanted) and outside film condition air properties (Nellis and Klein, 2009) (Holman, 1997).
Free Conv. Water

This option assumes all heat transfer on the outside of the pipe is caused by natural convection of liquid water at
1 atmosphere of pressure. The calculations use the general form of the Nusselt equation with a relation
between the Prandtl and Grashof numbers and the film coefficient dependent on elevation (horizontal, vertical,
or slanted) and outside film condition water properties (Nellis and Klein, 2009) (Holman, 1997). Boiling region
mechanisms for increased heat transfer are not considered within this option.
Forced Conv. Air

variable, is acting on top of the free convection for heat transfer on the outside of the tube. The calculations use
outside film condition air properties and a generalized average heat transfer calculation assuming cross flow to
the cylindrical reactor (Knudsen and Katz, 1958) (Hilpert, 1933).
Forced Conv. Water

This option assumes forced convection associated with a specified water velocity, as provided in the Water
Velocity variable, is acting on top of the free convection for heat transfer on the outside of the tube. The cal-
culations use outside film condition water properties and a generalized average heat transfer calculation assum-
ing cross flow to the cylindrical reactor (Knudsen and Katz, 1958) (Hilpert, 1933).
HTC
HTC Scale
transfer. Only the outer convective heat transfer contribution is affected.
Calc Radiant HT
Checking this option includes radiant heat transfer on the outside of the pipe. The radiant heat transfer is driven
by an equation taking into account the ambient temperature, outside wall temperature, outer process emissiv-
ity, and the wall emissivity.
Outside Emissivity

Emissivity of the pipe's outer wall.
Outer Wall Absortivity

Absortivity of the pipe's outer wall.
Inner Heat Transfer
Correlation
The correlation used to calculate the heat transfer coefficient between the process fluid and the pipe wall.
Constant
ted.
FreeConv
This option assumes all heat transfer on the inside of the pipe is caused by natural or free convection. The cal-
culations use the general form of the Nusselt equation (Perry et al., 1997).
Dittus
HTubeMix
(Holman, 1997).
Rigorous
HTC
HTC Scale
transfer. Only the inner convective heat transfer contribution is affected.
Calc Radiant HT
Checking this option includes radiant heat transfer on the inside of the pipe. The radiant heat transfer is driven
Process Emissivity
The emissivity of the inner process fluid, should be a value between 0 and 1. Estimates of this value can be
determined based on considerations such as fluid composition and average process temperature (Bahadori
and Vuthaluru, 2009).

The emissivity of the pipe inner wall. An example would be an emissivity of 0.79 for an oxidized steel at ~600 C,
or 0.28 for a mild molten steel surface ~1600 C (Hewitt, Shires, and Bott, 1994).
Specify Per Section

Select this checkbox to specify heat loss variables per section.
When not selected, all the heat loss settings are applied to the whole pipe. When selected, the following sets of
variables can be specified per section:
Air / Water T
Select to specify this T per section in the Section Detail tab.
Outlet Heat Transfer

Select to specify the outer heat transfer Correlation / Surface Corr, the Outer HTC Scale and the Outer HTC
(when applicable) per section in the Section Detail tab.
Inner Heat Transfer

Select to specify the inner heat transfer Correlation, the Inner HTC Scale and the Inner HTC (when
applicable) per section in the Section Detail tab.
Wall and Insulation (Tab)

Data for the wall layers of the pipe is provided here. Conductive resistance through each wall layer accounts for
cylinderical geometry through a log mean surface area adjustment.
Pipe Wall
Layer Name
Name for the pipe wall (inner-most) layer. This layer always exists. Its name is only visible if there are more lay-
ers outside the pipe wall.
Material
Material of the pipe wall. Used to load the thermal conductivity of this layer. This setting is visible here if there
are no more layers outside the pipe wall; otherwise, it will be in the Layers frame below.
Thermal Cond.
Thermal conductivity of the wall layer.It is loaded based on the selected wall Material, but it can be edited if the
Material is set to User Specified. Many heat transfer references have good temperature dependent data for dif-
ferent metal thermal conductivities (Kern, 1950) (Holman, 1997) (Peters and Timmerhaus, 1991). This setting
is visible here if there are no more layers outside the pipe wall; otherwise, it will be in the Layers frame below.
Thickness
Thickness of the pipe wall. Also available in the Summary tab and the Pipe Detail tab.
Inner Diameter
Inner Diameter of the pipe wall. Also available in the Summary tab and the Pipe Detail tab.
Outer Diameter
Outer Diameter of the pipe wall. Also available in the Summary tab and the Pipe Detail tab.
No. of Layers Outside Pipe Wall

The number of layers (for example, for insulation) outside of the pipe wall.
Specify Layers Per Section

The option to specify layers per section is available when the general "Specify Per Section" checkbox in the
Heat Transfer tab is checked. Select this checkbox to specify a different number of layers per section or dif-
ferent layer properties per section.
Layers
This frame contains information for each wall layer when there are layers outside the pipe wall.
The layout changes for multi-section input when the option to specify layers per section is selected.
Name / Layer Name

Name of the layer.
Material
Material of the layer. Used to load the thermal conductivity of the layer.
Thermal Cond. / Cond.

Thermal conductivity of the layer. It is loaded based on the selected layer Material, but it can be edited if the
Material is User Defined.
Thickness
Thickness of the layer. The first layer (in each section, if multi-section) is the pipe wall. The pipe wall thickness is
also available in the Summary tab and the Pipe Detail tab.

This table summarizes Detailed heat transfer results per section.
Results include the outer and inner heat transfer coefficients, the radiant contribution when applicable, the over-
all heat transfer coefficient U, heat flux and duty, process temperature and the temperature at each wall layer
interface.
The table allows input per section when the "Specify Per Section" option is active. A filter appears at the top in
this case to select the set(s) of variables to show on the table.
Air T
Select this option to view the Air / Water T per section. The temperature per section is specified here if the
option to Specify Per Section: Air T is selected. Otherwise, all values are the same as the overall Air/Water T.
Outer HT
Select this option to view the Outer HT results per section (Outer HTC). The outer heat transfer Correlation /
Surface Corr and the Outer HTC Scale are also shown to be specified per section if the option to Specify Per
Section:Outer HT is selected.
Inner HT
Select this option to view the Inner HT results per section (Inner HTC). The inner heat transfer Correlation and
the Inner HTC Scale are also shown to be specified per section if the option to Specify Per Section:Inner HT is
selected.
Pipe T
Select this option to view the process temperature and the temperature at each wall layer interface for each sec-
tion.
Plot (Tab)
The plot shows Detailed heat transfer results along the pipe (cumulative length). These results include the pro-
cess temperature and the temperature at each wall layer interface, the ground and/or ambient temperature
(s) as applicable, and the cumulative duty through the pipe.
Settings (Tab)
Settings for the pipe segment can be specified within this tab.
Numerical Settings
Max Num Iterations

Maximum number of iterations accepted when attempting to solve the unit operation.
Damping Factor
Depending on the input, the pipe segment may be solved iteratively as a set of non-linear equations. The damp-
ing factor affects the step size taken by the algorithm when updating values from iteration to iteration. A damp-
ing factor lower than one, results in smaller step changes in the iteration variables than those obtained from the
numerical algorithm. The default value is 1.0 (no damping).
Max Error
Solution Method
Defines the numerical method used to solve the pipe segment. The current available methods are “New-
tonRaphson”, “Secant” and “Broyden”. The default is NewtonRaphson.
Solve Method
Defines the solution mode to solve the pipe the available methods are “AutoSelect”,”SolveSImul-
taneos”,”SolveForOutP”,”SoveForInP”.
Try To Restart
If checked the solver uses the last iteration values (converged or not) as the initial values for finding a solution.
This parameter overwrites Try Last Converged. This parameter is useful when it is thought that a pipe segment
only needed few more iterations in order to obtain a solution. The default is unchecked.
Try Last Converged

If checked the solver attempts to use the last converged solution as the initial values for finding a new solution.
Note that Try Last Converged still checks if the initialization algorithm provides better initial values than the last
converged solution. It is also important to point out that the pipe segment will still remember the last converged
solution even if it becomes unconverged. The default is checked.
Minimize Error
equations which result in an “error”. If the maximum value of these “errors” is lower than a tolerance, then the
equations are assumed to be converged; when checked it attempts to always reduce the maximum error from
iteration to iteration (i.e. it does not allow the solution to diverge). If unchecked then it blindly takes the values
from the numerical algorithm from iteration to iteration. Default value is checked.
Monitor Convergence
When checked, automatically checks if the algorithm is far from the solution and if it does not seem to be con-
verging, causes a premature break in the calculations. When unchecked, it allows the solver to keep on iterating
until it reaches Max Num Iterations. The default value is unchecked.
Freq Jacobian Msg

is shown. The Default is 10.
Pipe Settings
Energy Loss Model

Drop Drown menu that allow the type of model used in the heat loss calculations to be selected the options are
"Auto", “LinearEnergy”, “LinearTemperature”,”EqualU”.
Flash Type
Drop Drown menu that allow the type of flash used, the options are “PHFlash” and “PTFlash””.
Ignore Kinetic
Toggle which determines whether kinetic energy effects are considered when solving the pipe segment unit
operation. If set to unchecked (default) the kinetic energy effects are considered.
Laminar Transition
Toggle to automatically transition into a laminar pressure drop correlation when the Reynolds number is low
(around 250).
General Settings
Wax Env Phase Frac Criterion

ance prediction, and will apply to the wax envelope, wax appearance T and wax apperance approach T cal-
culations. See the Solids Formation tab inside the Profiles Tab for a dedicated view of wax appearance
prediction.
Shortcut Hydrate
conditions. This setting will apply to the hydrate envelope as well as all hydrate profiles calculations. See the
Solids Formation tab inside the Profiles Tab for a dedicated view of hydrate formation prediction.
Ignore Warnings
Set to ignore the pipe's warning messages. Any warning message text will still be displayed in the status bar,
but the unit operation will not be highlighted as having a warning.
OLGAS Settings
This section appears when the selected pressure drop correlation is OLGAS_2P or OLGAS_3P. Only IWATER
applies to both correlations, the rest are just for OLGAS_3P
These settings are used exactly as documented by the OLGAS documentation. The description of the settings
in an exact copy of OLGAS' documentation.
IWATER
Is a switch for turning on/off a special water correlation tuned for air/water low pressure experiments. (Cor-
relation for void in slug).
=1: on (Recommended for low pressure water-air systems only).
=0 off (Recommended for general Use. The code is validated with this value).
XDROP1
Water droplet entrainment multiplier (Recommended value: 1.0. Must be in the closed interval [0,1])
FWINV
Water cut at oil-water inversion point.
IDUOILW
Switch for oil-water slip calculation
= 0: Slip velocity between oil and water calculated by code.
/=0: Constant slip velocity given by DUOILW
DUOILW
Input slip velocity between oil and water. DUOILW = UH - UW. DUOILW is ignored unless IDUOILW /= 0.
IVISCL
IVISCL is a switch for turning on/off the dispersion viscosity calculation (Pal & Rhodes based) in OLGA. The
value which is used in OLGA for validation is IVISCL = 0, switch is turning the calculation on. It will be applied for
all flow regimes in the case of oil droplets dispersed in water or vice versa.
=0 Disp. viscosity calculated by model
=1:Linear interpolation - volume fractions.
Equilibrium Results
This tab displays the equilibrium results of the pipe segment material port selected using the pull down menu.
The information provides properties in different phases existing at the converged conditions.

General
The Pipe Flow Path Viewer feature in VMGSim displays profiles of properties along a continuous flow path of
connected pipe unit operations. This tool also performs a variety of flow assurance status checks along the
selected flow path, including dedicated views for velocity limits (choke and erosional velocity) and formation of
solids (hydrates and waxes).
Each flowsheet in a case has a Pipe Flow Path Viewer; the active flow path of the viewer is made up of pipe unit
operations within the flowsheet (including nested subflowsheets).
Open the Pipe Flow Path Viewer

Open the Pipe Flow Path Viewer form by either clicking the "Pipe Flow Path Viewer..." link inside a pipe unit
operation form in the flowsheet:
or selecting the right-click menu item "Show Pipe Flow Path Viewer" from a pipe unit operation shape in the
PFD:
Note that clicking the link inside the pipe form does NOT select the active flow path to examine - it only opens
the Pipe Flow Path Viewer form.
On the other hand, clicking the right-click menu option on the PFD does set the current selection of pipe shapes
to be the active flow path to examine in the Pipe Flow Path Viewer before opening the form.
Flow Path Selection

The flow path viewer will select one pipe in the flowsheet to be the default active flow path until a different flow
path is selected.
A flow path of more than one pipe is defined by: the starting pipe of the flow path, the endpoint pipe of the flow
path, and one pipe per branch within the flow path. The latter is necessary when there are multiple paths of con-
nected pipe unit operations between the starting pipe and the endpoint pipe. If this is the case and no pipes that
belong to only one of these possible flowpaths is included in the flowpath definition, the first possible flowpath
will be selected.
The active flow path can be selected in two ways: from the pipe unit operation shapes in the PFD, or from a list
of all pipe unit operations in the Pipe Flow Path Viewer form.
PFD Selection
The preferred method to select the active flow path is through the PFD. Hold down the Ctrl key in the keyboard
and click on the shapes of the pipe unit operations that define the flow path. Then, right-click on any of the selec-
ted pipe shapes and select "Show Pipe Flow Path Viewer". This will open the Flow Path Viewer form with the
selection as the active flow path.
Name Selection
An alternative method for selecting the active flow path is through the "Select Flow Path..." button in the Pipe
Flow Path Viewer form. This method is necessary when selecting a flowpath that spans more than one sub-
flowsheet.
Click the "Select Flow Path..." button in the Pipe Flow Path Viewer form to open a dialog window that lists all
pipe unit operations within the flowsheet, including pipe unit operations in nested subflowsheets.
Select the "Include in Flow Path" checkbox next to the names of the pipe unit operations that define the flow
path and then click "Select Path" to change the active flow path.
Viewing Flow Path

This frame in the Flow Path Viewer form lists the relative path of all pipe unit operations that make up the active
flow path, sorted in connection order. Each name or relative path in the list acts as a link to open the form of the
pipe unit operation.
General (Tab)
This tab displays profiles of pipe property values from the inlet of the starting pipe through each pipe in the flow
path up to the outlet of the endpoint pipe, in both plot and tabular form.
Add/Remove
Oil/Water profiles are available when a 2-phase or 3-phase pressure drop correlation is active in any pipe in the
flow path. Fittings profiles are available when fittings are active in any pipe in the flow path. Detailed heat trans-
fer profiles are available when Detailed heat transfer calculations are active in any pipe in the flow path.
Plot
X Axis
Y Axis
Y2 Axis
Show Labels
Select this option to show tags that indicate the start of a new pipe along each profile in the plot.
Plot Window
Plot control
Check Boxes
Advanced…
form:
Save As JPG…
Copy
Print…
Table
Velocity (Tab)
This tab shows data that is useful in analysis of the velocity performance of the flow path. This includes a
detailed breakdown of the calculated velocity by phase, as well as velocity limits due to erosion and sonic con-
ditions.
Plot
Table
Process Velocity
Bulk
Velocity of the bulk fluid through the flow path. The maximum value in the flow path is shown along with to the
Gas
Velocity of the gas / vapor phase through the flow path. The maximum value in the flow path is shown along
with to the option to show the profile in the table or plot.
Liquid
Velocity of the bulk liquid phase through the flow path. The maximum value in the flow path is shown along with
to the option to show the profile in the table or plot.
Gas
available for flow. The maximum value in the flow path is shown along with to the option to show the profile in
the table or plot.
Liquid
available for flow. The maximum value in the flow path is shown along with to the option to show the profile in
the table or plot.
Speed of Sound
Active
Status
Shows "OK" if the bulk fluid velocity is below the speed of sound through the flow path, otherwise shows
"Choked" warning.
Mach
The maximum Mach No. through the flow path. This indicates the maximum ratio of velocity to speed of sound.

Active
results in the frame (below). This setting will propagate to all pipes in the flow path.
Flow Regime
Select the regime that applies to the pipes in service. This regime determines the erosional velocity constant in
This setting will propagate to all pipes in the flow path.
Status
Shows "OK" if the bulk fluid velocity is below the erosional velocity limit through the flow path, otherwise shows
"Velocity Above Limit" warning.
Other

This tab shows data that is useful in analysis of phase changes along the flow path. This includes hydrate and
wax prediction along with a phase envelope.
Pipeline Path
Select to view active solids formation temperature and the pipe temperature profiles along the flow path (cumu-
Envelope
ive solids formation lines for the active section of the flowpath. This plot also includes the pipe T and P at each
section of pipes through the pipeline section.
Flow Path Section

This pulldown menu lists sections within the flow path that have a constant composition. The envelope can only
be drawn for a constant-composition section, so there may be multiple envelopes available for one flow path.
Hydrates
Active
frame (below).
Shortcut Hydrate
conditions.
Check
Option of points to check for hydrate formation calculations:
Inlet & Outlet
Calculate hydrate formation at the inlet and outlet of each pipe. This setting provides a rough check of the
All Sections
Calculate hydrate formation at the inlet of each pipe and the outlet of each section within each pipe.
Status
Shows "OK" if the fluid temperature is above the hydrate formation temperature through the flow path, oth-
erwise shows "Hydrate Formed" warning.
Min Hyd App T [F]

be negative if hydrates are formed in the flow path, indicating the minimum temperature increase required to
prevent hydrate formation.
Wax
Active
(below).
Check
Inlet & Outlet
Calculate wax appearance at the inlet and outlet of each pipe. This setting provides a rough check of the
All Sections
Calculate wax appearance at the inlet of inlet of each pipe and the outlet of each section within each pipe.
Status
Shows "OK" if the fluid temperature is above the wax appearance temperature through the flow path, otherwise
Min Wax App T [F]

be negative if wax appears in the flow path, indicating the minimum temperature increase required to prevent
wax appearance.
Phase Criteria
ance prediction.

This tab shows component profiles along the flow path (cumulative length). It is used to track component con-
centration or amount through the flow path.
Basis
(Moles/Mass).
Tracking Profiles
Line Data (Tab)

This tab lists a summary of overall pipe length, elevation, and geometry data through the flow path.
Pipe Segment Example

This example will predict the pressure and temperature of at the outlet of a 6 mile long branch in a gas collection
network using the pipe segment unit operation.
Start a new VMGSim case and add an APR for Natural Gas 2 property package with the following components:
Hydrogen Sulfide, Carbon Dioxide, Methane, Ethane, Propane, iso-Butane, n-Butane, iso-Pentane, n-
Pentane, n-Hexane and Water. Switch the unit set to Field. Create a Material Stream and specify it as shown
below.
Create a pipe segment and assume the surrounding temperature is 32 °F, the total elevation over the 6 mile
(316800 ft) length of the pipe is 0 ft and a overall heat transfer coefficient of 0.98 Btu/hr-ft2-°F, specify the pipe
segments signal ports as shown below.
Click on the Pipe Selection button and select an 8 inch schedule 80 commercial steel pipe as shown below and
click OK.
This will complete the specification of the necessary signal ports for the pipe segment to solve. Attach the Gas
In material stream to the In port of the pipe segment. The Case should solve and appear as below.
Go to the Pipe Detail Tab and change the Number of Segments from 2 to 10. As can be seen below it only had
a sight effect on the outlet pressure and temperature.
Go to the Profile tab and experiment creating several different plots, such as the one below.
Pipe Segment With Fittings Examples

Two examples will be presented that feature different pipe configurations with fittings and elevation changes.
Both of these examples come from Crane Flow of Fluids Through Valves, Fittings and Pipe, otherwise known
as Crane Technical Paper 410. The first example is from Example 7.14, and it involves calculating the pressure
drop through a pipe with fittings as well as the velocity through the pipe.
Crane Technical Paper 410 Example 7.14

Start a new VMGSim case and add the Advanced Peng Robinson property package with Water as the only
component. Ensure the unit set to Field. Create a Material Stream and specify it as shown below. Note: the
example does not give an inlet pressure, so 100 psia was assumed.
Create and Connect a Pipe Segment to this Stream.
Under Pipe Selection, select a 4" Schedule 40 Pipe made of Commercial Steel, and press OK.
The following picture describes the piping section that we want to model (from Crane: Flow of Fluids Through
Valves, Fittings and Pipes, Technical Paper No. 410, 2009).
We will have 4 sections in this pipe:

1. 110 ft of horizontal 4" Schedule 40 Pipe with a 5" Elbow.
2. An enlargement, as the Elbow is a Reducing Elbow (Inlet at 4" and Outlet at 5")
3. 75 ft of vertical 5" Schedule 40 Pipe with a 5" Elbow.
4. 150 ft of horizontal 5" Schedule 40 pipe with a Pipe Exit.

Go to the Pipe Detail tab and enable Elevation Profile and Fittings in Specify Detail Section.
Go to Specify Per Section and enable Diameter and Roughness.
In VMGSim, the fitting assigned to a section comes at the end of that section.
For the first Segment (1), the ID and OD will be left to the standard 4" Schedule 40. The segment will be 110 ft
of piping with an Elbow at the end. Specify 110 ft as the length. An Elbow Fitting will be added at the end of the
first segment. Under Fitting Type in the first row, select Elbow. Leave the Fitting Angle at the default of 90
degrees.
The second Segment will have 0 ft length and an enlargement fitting. We will set the enlargement angle to 40
degrees.
The next section will have a change in diameter to a 5" Schedule 40 pipe. The Enlargement fitting of the 2nd
segment will only have a K value if the diameter in the segment immediately following the segment featuring the
enlargement is higher. A 5" Schedule 40 Pipe has an inner diameter of 5.047 inches and a outer diameter of
5.563 inches. This will be a vertical section of 75 ft of pipe, meaning the change in elevation is 75 ft. At the end of
75 ft, there is an elbow.
The final section is 150 ft of 5" Schedule 40 pipe with a pipe exit at the end. No elevation change is experienced
through this section. The Pipe Detailed tab, therefore, after all the details are entered, should look like the fol-
lowing.
Finally a specification of Adiabatic will enable the pipe to solve. Note the Elevation Out is calculated on an over-
all basis of the individual elevation changes happening on the Detailed tab.
In the example in Crane, the Pressure Drop and the Velocities through the pipe are calculated. Let's prepare a
Datasheet to show these items. Right click on the Delta P on the Summary Tab and select "Add to PFD Data-
sheet":
This will create a datasheet on the PFD for the pipe, and add the Delta P to the datasheet. Repeat the pro-
cedure for the velocities through the 4" and 5" sections of the Pipe (Segment 1 and 4), located on the Profile
tab.
Once you've added the three variables to the PFD Datasheet, we will configure the Datasheet to change the
names of the velocity variables. Right click on the PFD Datasheet and select Config Datasheet.
In the Config window, rename the Velocity .Item_1 and Item_4 to Velocity in 4" and Velocity in 5". Click OK.
Add an outlet stream to the Pipe Segment, and the example is finished.
Crane Technical Paper 410 Example 7.15

Example 7.15 in the Crane Technical Paper 410 (page 7-9) deals with calculating the power for a pump to
pump water through 2 valves, 4 elbows and a pipe exit. The piping consists of 3" Schedule 40 pipe. We have
the following information (from Crane. Flow of Fluids through valves, fittings, and pipe. Technical Paper
No.410. 1969. May 2009):
30 ft of 3" Schedule 40 pipe with a 2-1/2" Globe Lift Check Valve and then a 3" Standard Gate Valve. We
assume there is 2.5 ft of pipe inbetween the pump and the first valve (Globe Lift Check Valve) and 2.5 ft
between the two valves. That leaves 25 ft to be between the Standard Gate Valve and the 90 degree Elbow.
After the elbow, there is a 100 ft of vertical 3" Schedule 40 Pipe , another elbow, 70 ft of horizontal pipe, a
elbow, and 300 ft of vertical pipe with an elbow and then a pipe exit at the end.
The objective of this example is to find the total discharge head and the brake horsepower required for a pump
having an efficiency of 70%. The flow is 100 gallons per minute, and the temperature of the water entering the
pipe is 70 F.
We can continue to use the same case as Example 7.14, or a new case, choose the Advanced Peng Robinson
property package with Water as the only component.
Create a stream as follows, for the inlet of the pump. Note that 100 was entered in under Std Liq Volume Flow,
and the space bar was hit immediately after. Gal(US)/min was then selected from the drop down that appears.
Alternatively, 0.223 ft3/s could be specified as the Standard Liquid Volume Flow.
Insert a Pump, and specify 70% Efficiency. Add an outlet stream to the pump and specify 70 F as the tem-
perature on the outlet of the pump.
Add a Pipe Segment, click on Pipe Selection and select Carbon Steel 3" Schedule 40.
How many Segments/Sections do we need?

As discussed, 1 segment can have a piping as well as a fitting at the end of it. Using the details of the example,
the segments can be summarized as follows. All piping discussed is 3" Schedule 40 pipe.
1. 2.5 ft of horizontal piping with a 2-1/2" Globe Lift Check Valve - fitting diameter will be 2.469"
2. 2.5 ft of horizontal piping with a 3" Standard Gate Valve
3. 30 ft of horizontal piping with a 3" Standard 90 degree Elbow
4. 100 ft of vertical piping with a 3" Standard 90 degree Elbow
5. 70 ft of horizontal piping with a 3" Standard 90 degree Elbow

6. 300 ft of vertical piping with a 3" Standard 90 degree Elbow
7. Pipe Exit with 0 length, final elevation at 400 ft.
This is a total of 7 sections. Specify 7 sections in the Pipe Segment.
Navigate to the Pipe Detail tab and Specify the above details in each segment, starting with Segment 1. Keep in
mind that the Elevation on the Pipe Detail tab is the elevation change over that segment. For the Glove Lift
Check Valve, we want 2.469" Lift Valve - 1.
Go back to the Summary tab and specify Heat Transfer Calc Type as Adiabatic. Specify 14.7 psia as the outlet
pressure, assuming this is the minimum amount of Brake Horse Power is to pump the water through the pipe to
1 atm at the end of it. The Pipe Segment should solve.
Go into the Pump and add the Power and Head to the PFD Datasheet. Add a stream to the outlet of the Pipe.
Pipe Segment Dynamics

Pipe Segment Dynamics
Main Flow sheet
PFD Stencil
General
Pipe segments are implemented in order to generate proper pressure and temperature drop conditions for
transported material streams. Within this unit operation, heat losses to ambient temperature and elevation
changes are considered for pipes of specific lengths and roughness. As in other unit operations, different values
can be calculated for the pipe segments with provided information.

Drop down menu used to select the pressure drop correlation used by the pipe segment.
The pressure drop correlations available for use in the pipe segment are described below. The following nomen-
clature is used:
Variable Definition
Pressure drop due to friction
F Friction factor (its definition depends on the
correlation)
L Pipe length
D Pipe internal diameter
Mass density
v Velocity
Re Reynolds number
Viscosity
Roughness
Single Phase Correlations

Colebrook
Design equations:
where,
Reference: Manning, F., Thompson, R., Oil Field Processing of Petroleum, Volume One, 1991, PennWell.
Churchill
Design equations:
where,
Blasius
Design equations:
where,
Laminar
Design equations:
where,
Chen
Explicit equation for one phase that gives similar results as Colebrook
Multi Phase Correlations

The section below details the multi phase correlations. As well as a description of the correlation, the different
flow regimes included used by the correlation are listed. A flow regime is the name given to the specific dis-
tribution of the gas and liquid phases within the pipe.
Lockhart-Martinelli
The basis for this method is the assumption that the pressure drop in a two phase system is equal to the pres-
sure drop of each phase multiplied by a factor.
Design equations:
of the gas phase and the liquid phase are obtained separately using the Colebrook correlation.
where n = 4.0 for turbulent flow in the gas and liquid phase, n = 2.88912 for viscous flow in the gas and liquid
phase and n = 3.5 for the rest.
Reference: “Emergency relief System Design Using DIERS Technology”, 1992, AIChE.
BeggsBrill
This is a two phase correlation that takes into account the inclination of the pipe. It is based in the original paper
from Beggs and Brill 1973, including a modification from Brown (1977) for the transition zone.
Reference: Beggs, H. and Brill, J., “A Study of Two-Phase Flow in Inclined Pipes”, Journal Of Petroleum tech-
nology, v25, May 1973, p 607-617.
Dukler
The Dukler correlation is a two-phase method developed for use with adiabatic flow. It makes use of the
Flanigan (1958) method to calculate an inclined pressure drop component.
Reference: Dukler, A.E.,et al., “Frictional Pressure Drop in Two-Phase Flow: B. An Approach Through Sim-
ilarity Analysis”, AIChE J., 10, 44, (1964)
Flow Regimes
Annular, Stratified Wavy, Bubbly, Intermittent
Petalas
Reference: Petalas, N., and Aziz, K., "A Mechanistic Model for Multiphase Flow in Pipes," Proceedings of the
49th Annual Technical Meeting of the Petroleum Society of the Canadian Institute of Mining, Metallurgy and Pet-
roleum, Calgary, Alberta, June 8-10, 1998.
Flow Regimes
Intermittent, Dispersed Bubble, Stratified Wavy, Smooth, Annular Mist, Froth, Bubble, Elongated Bubble, Slug
Oliemans
Reference: Multiphase Flow Handbook, Ch. 2. Clayton T. Crowe (editor), CRC Press, ISBN 978-0849312809
Flow Regimes
Intermittent, Dispersed Bubble, Stratified Wavy, Smooth, Annular Dispersed, Bubble, Annular
Filter
Filters to narrow down pipe correlation options. Choices are "Single Phase Low Re", "Single Phase High Re",
"Multi Phase Pipeline", "Multi Phase Wellbore" and "All".
Pipe Selection
priate roughness and click "Apply Selection" to add the dimensions to the pipe segment.
Material
Source
Type
Roughness
priately converted roughness value. If no choice is made a roughness value will not be added to the pipe
segment and a value must be added manually in the Energy\Signal port area.
Pipe Selection List


Click this link to open the Flow Path Viewer form, which displays pipe profiles and flow assurance analysis for
multiple pipes along a flow path. See Pipe Flow Path Viewer section for further detail.
Summary(Tab)
This first tab, “Summary” for the pipe segment, shows values of the variables of the material ports entering and
leaving the unit. Also included is any signal ports used in calculations such as the pipe diameter or heat
exchange rate to the surrounding environment.
Main Data
The Main Data Frame will contain the following information which is a Main Data that is either specified of cal-
culated.
Delta P
The total pressure drop across the pipe segment.
OutQ
U
based on the inner area of the pipe segment. This is used when Simple Heat Loss is selected
Heat Transfer Calc Type

This option sets the heat transfer calculations to be Adiabatic, Simple, or Detailed. Adiabatic calculations
assume that there is no heat transfer between the pipe fluid and outside. An additional Heat Transfer tab will be
visible when this option is set to Simple or Detailed. See the Heat Transfer tab section for more detail.
Outside Data
External T
Number of Sections
This defines the number of sections used for calculations in the pipe segment.
Choke Calculation
The pipe will determine if a choke flow condition exists. The options for calculation are:
l Frozen Flash: Choke velocity will be calculated using the flowing phase fractions in the pipe, and assum-
ing that the phase fractions are fixed. Phase velocities are assumed equal.
l Equilibrium: Choke velocity will be calculated using the flowing phase fractions in the pipe, and assuming
that phase fractions remain in equilibrium. Phase velocities are assumed equal. Note that this option is
computationally expensive.
Is Choked
A flag indicating whether a choke condition currently exists in the pipe.
Max. Mach Number

The maximum Mach Number in any of the sections of the pipe.
Slip Exponent
The slip exponent is used to tune the slip between the phases, and hence the liquid holdup. The slip factor is
defined by
Liquid Holdup = Slip Factor * Liquid Vol Flow / (Slip Factor * Liquid Vol Flow + Vapor Vol Flow)
The slip exponent scales the slip factor:
Slip Factor = Calculated Slip Factor ^ (1 - Slip Exponent)
Friction Factor Tuning

A multiplier which will be applied to the calculated friction factor. This can be used to tune the calculated pres-
sure drop to match measured data.
Pipe Data
Contains the dimensions of the pipe
Total Length
The length of the pipe segment.
Elevation Profile...
Click this link to open the Elevation Profile view in the Pipe Detail tab.
Elevation In
Elevation Out
The elevation at the outlet of the pipe segment.The change in elevation is determined by subtracting Elevation
In from Elevation Out
Inner Diameter
Outer Diameter
Thickness
Roughness
Results
Contains calculated variables to track inventory and other performance indicators
Velocity In
Inlet velocity to the pipe
Velocity Out
Outlet velocity from the pipe
Inventory
Line Pack
Total standard volume of gas contained in the line at standard conditions
Liquid
Total actual volume of liquid in the line
Oil
Total actual volume of liquid hydrocarbon in the line
Water
Total actual volume of liquid water in the line
Advanced Configuration
Shortcut Hydrate
Enables a shortcut model for hydrate calculations. This can significantly improve performance, because it
assumes constant phase compositons, and therefore avoids the need for re-flashing the fluid at hydrate con-
ditions. The shortcut model will match the rigorous model when the approach temperature goes to zero, and
the shortcut model will be more stable in transient conditions.
Paired Pipe (Annulus/Core)

Annular flow modeling requires two pipes, one to define the annular space, and one to define the core. This
field connects the pipe to the pipe which defines the other space.
CoCurrent
Specifies the relative annular flow when both pipes have forward flow. If CoCurrent is checked, the flows in the
core and the annulus are in the same direction.
Annulus
Specifies which pipe of the pair defines the annular space. Only one of the paired pipes can be the annulus.
Has Pig
A flag which indicates whether the pipe has a pig. When this flag is checked, a pigging tab is visible with more
information about the pig.
Pig Velocity
The velocity of the pig in the pipe segment.
Pig Location
The location of the pig in the pipe.
Material
Shows the connected objects and the inlet and outlet port information.
Pipe Detail (Tab)

This tab is used to view and specify detail per section, including the elevation profile, diameter per section, and
fittings.
No of Sections
This defines the number of sections used for calculations in the pipe segment and for detailed specifications like
the elevation profile.
Import (Filtered) Elevation Profile

Import pipeline distance and elevation coordinates from a csv file into the VMGSim pipe model by clicking the
"Import Elev Profile..." button in the Pipe Detail tab.
Navigate to the appropriate .csv file and click "Open".
File Format
Example Piping and Flow\ImportElevationProfile.csv
The first row in the csv file may be a column heading.
The file must have coordinate data in the first 2 columns: cumulative distance in the first column and elevation in
the second column. Data may be in feet or meters.
Additional GIS data may be provided to calculate 3D Bend K values. Two alternative sets of data are sup-
ported:
Latitude & Longitude
Latitude in the third column and Longitude in the fourth column, in Degrees.
Bend Angle
Bend angle in the third column.
Bend angle for a coordinate i may be calculated from its latitude and longitude and the previous 2 coordinates'
latitudes and longitudes.
The suggested formulas to do this are included below, using the following nomenclature,
Variable Definition
latitude of i-th coordinate (radians)
longitude of i-th coordinate (radians)
initial bearing from the previous coordinate and the i-th coordinate(degrees)
change in initial bearing between the previous coordinate and the i-th coordinate (degrees)
internal bearing angle between the (i-1th) and i-th coordinate (degrees)
cumulative distance from the first coordinate to the i-th (m/ft)
elevation at the i-th coordinate (m/ft)
surface angle between the (i-1)-th and the i-th coordinate (degrees)
change in surface angle between the (i-1)-th and the i-th coordinate (degrees)
total combined angle between the i-th coordinate and the 2 previous coordinates (degrees)
bend angle between the i-th coordinate and the 2 previous coordinates (degrees)
Excel:
[bearing2] =MOD(DEGREES(ATAN2(SIN(lon2 - lon1)*COS(lat1),COS(lat1)*SIN(lat2)-SIN(lat1)*COS
(lat2)*COS(lon2-lon1)))+360,360)
[deltab3] =ABS(bearing3-bearing2)
[beta3] =IF(deltab3>180,360-deltab3,deltab3)
Excel:
[theta2] = DEGREES(ATAN2(elev2 - elev1,dist2-dist1))
[deltaTheta3] = ABS(theta3-theta2)
Excel:
[alpha3]=DEGREES(ACOS(COS(RADIANS(beta3))*COS(RADIANS(deltaTheta3))))
[bend3]=IF(beta3>90, 180-alpha3, IF(deltaTheta3>90, 180-alpha3,alpha3))
Note that the first 2 coordinates would have blank values for the bend angle.
Import Settings & Preview
The Filter and Import Elevation Profile window will appear after a file is selected.
The Raw Profile represents the coordinate data read from the csv file. A data filtering algorithm is used to
provide the best fit from this raw data to a Filtered Profile with a more manageable number of pipe sections.
Raw Data Source
Raw Data Source

The path to the selected csv file.
Load File...
Click this button to import data from a different csv file.
Raw Profile
Distance & Elevation Units

Select ft/m to indicate if Distance and Elevation data in the file is in feet or meters.
No. of Data Points

Number of coordinates that were read from the csv file.
Filtered Profile
No. of Sections Requested

Specify the number of sections to use for the filter.
A data filtering algorithm will attempt to provide the best fit to model the the raw elevation profile of the pipe with
this number of sections.
Changing this specification will provide a live preview of changes to the Filtered Profile.
No. of Sections in Filtered Profile

The number of pipe sections that the data filtering algorithm required to fit the raw data.
This number may be different from the No. of Sections Requested, because the algorithm requires sections to
be a multiple of 3, and because zero-length segments are excluded.
Complexity
The pipeline profile indicator as defined by Barrau (“Profile indicator helps predict pipeline holdup, slugging”, Oil
& Gas Journal Vol. 98, Issue 8, p. 58-62, Feb 21, 2000).
Import Options
Calculate K from (3D) Bend Source Data

Select to calculate K values from GIS data in the file. If not selected, K values will be set to 0.0 when the profile
is imported.
3D Bend Source Data

The GIS data provided in the file to calculate K values. Applicable when "Calculate K from (3D) Bend Source
Data" is selected.
Two options are supported: Latitude and Longitude, and Beng Angle [see File Format section above for details]
K Calculation (Status)
Indicates success or failure of K calculations from (3D) Bend source data. Failure indicates that the file did not
contain the expected data or format.
Data must be in the format selected in "3D Bend Source Data" [see File Format section above for details]
Import Profile
Clicking either of these buttons will result in specification of No. of Sections, Length, Elevation, and K values of
the pipe.
Import Raw Profile

Click this button to import the complete Raw Profile into the pipe model.
Import Filtered Profile

Click this button to import the Filtered Profile into the pipe model.
Specify Detail
Elevation Profile
Select to specify elevation changes through the pipe segment. If this is not selected, the elevation profile will be
calculated as a linear path between the specified Elevation In and Elevation Out.
Fittings / K
Select to specify fittings within the pipe segment. Fittings can be specified in the "Fittings and Geometry" view of
the Detail table when this "Fittings / K" checkbox is selected.
Fitting Type
The different pipe fittings that are available in VMGSim. There are detailed below. The pipe fitting provides a K
value obtained from the Crane pipe fitting manual.
User Specified
This allows for a user specified K value. Neither the fitting diameter or the fitting angle are required. All that is
entered is the K value.
Contraction
This allows for the modeling of a pipe contraction. The pipe contraction using the pipe diameter of the preceding
be 0. Also, if the next pipe diameter is larger than the previous pipe diameter, the K value will also will be set to
0, as this no longer models a contraction. The fitting diameter shown is set to be the preceding pipe diameter;
Enlargement
This allows for the modeling of a pipe expansion. The pipe expansion using the pipe diameter of the preceding
be 0. Also, if the next pipe diameter is smaller than the previous pipe diameter, the K value will also will be set to
0, as this no longer models an expansion. The fitting diameter shown is set to be the preceding pipe diameter;
Gate Valve
This allows for the modeling of a gate valve. Both the fitting diameter and fitting angle are required as per the dia-
gram above.
Conventional Globe Valve
This allows for the modeling of a conventional globe valve. The fitting diameter is required as per the diagram
Y-Pattern Globe Valve
This allows for the modeling of a y-pattern globe valve. The fitting diameter is required as per the diagram
Conventional Angle Valve
This allows for the modeling of a conventional angle valve. The fitting diameter is required as per the diagram
Angle Stop-Check Valve
This allows for the modeling of an angle stop-check valve. The fitting diameter is required as per the diagram
Conventional Swing Check Valve
This allows for the modeling of a conventional swing check valve. The fitting diameter is required as per the dia-
Clearway Swing Check Valve
This allows for the modeling of a clearway swing check valve. The fitting diameter is required as per the dia-
Lift Valve - 1
Lift Valve - 2
as 0 degrees.
as 0 degrees.
Stop-Check Valve - Globe
This allows for the modeling of a globe stop check valve. The fitting diameter is required as per the diagram
Poppet Disc Foot Valve
This allows for the modeling of a poppet disc foot valve. The fitting diameter is required as per the diagram
Hinged Disc Foot Valve
This allows for the modeling of a hinged disc foot valve. The fitting diameter is required as per the diagram
Ball Valves
This allows for the modeling of a ball valve. Both the fitting diameter and fitting angle are required as per the dia-
gram above.
Butterfly Valves
This allows for the modeling of a butterfly valve. The fitting diameter is required as per the diagram above. The
fitting angle is not required for this fitting, and is therefore left as 0 degrees.
Straight-Way Plug Valve
This allows for the modeling of a straight-way plug valve. The fitting diameter is required as per the diagram
Mitre Bend
This allows for the modeling of a mitre bend. The fitting diameter is specified to be the same as the leading pipe
diameter. The mitre bend can model a 0, 15, 30, 45, 60, 75, or 90 degree bend. The fitting angle can be entered
to be any angle, and will be rounded to whichever of these two values it is the closest to.
Pipe Bend
This allows for the modeling of a 90 degree pipe bend. Since the angle is fixed to 90 degrees, this is not required
to be entered. Also, the fitting diameter is the same as the preceding pipe. However, the radius of curvature is
required for the pipe bend. This is entered in the fitting diameter cell where the fitting diameter would normally
be. Only specific radius of curvature to pipe diameter ratios are allowed. These are: 1, 1.5, 2, 3, 4, 6, 8, 10, 12,
14, 16, and 20. If the radius of curvature entered provides a ratio other than this, the radius of curvature will be
rounded such that the nearest ratio will be used.
Return Bend
This allows for the modeling of a return bend. The return bend diameter is set to be the same as the preceding
pipe diameter. Also, since the return bend is a specific fitting, the fitting angle is also not required.
Elbow
This allows for the modeling of an elbow. The fitting diameter is specified to be the same as the leading pipe dia-
meter. The elbow can model a 45 degree or a 90 degree elbow. The fitting angle can be entered to be any
angle, and will be rounded to whichever of these two values it is the closest to.
Pipe Exit
This allows for the modeling of a pipe exit. The pipe exit specifies the K value to be 1. The pipe exit diameter is
set to be the same as the preceding pipe diameter. No fitting angle is required for a pipe exit.
Fitting Diameter
Fitting diameter is the diameter defined for the specified fitting type. This is shown in the fitting diagram if it is
required. If the fitting angle is not required then it cannot be entered. The required fitting angle for each fitting is
detailed in the explanation of each fitting type.
Fitting Angle
Fitting angle is the angle defined for the specified fitting type. This is shown in the fitting diagram if it is required.
If the fitting angle is not required then it cannot be entered. The required fitting angle for each fitting is detailed in
the explanation of each fitting type.
K
K is the K-value calculated from Crane's pipe fitting reference based on the fitting type.
Reference
Crane Co., “Flow of Fluids through Valves, Fittings and Pipe”, Crane Technical Paper No. 410, New York,
1991.
Overall
Total Length
The length of the pipe segment. Calculated from the length of each section if specified per section.
Elevation In
Elevation Out
The elevation at the outlet of the pipe segment. Calculated from the elevation change between the last two sec-
tions if the elevation profile is specified.The overall change in elevation is the difference between Elevation In
and Elevation Out.
Inner Diameter
Outer Diameter
Thickness
Roughness
Specify per Section
Diameter
Select this checkbox to specify different diameters within the pipe. The diameter per section can be specified in
the Geometry view of the Detail table when this checkbox is selected.
Spec
The options to specify the diameter per section, allows the specification of 2 out of the 3 (Inner Diameter, Outer
Diameter, Thickness) profiles.
Roughness
A different roughness can be specified for each segment of the pipe. This is selected here. The roughness per
section can be specified in the Geometry view of the Detail table when this checkbox is selected.
Length As
Option to specify length per section as Section Length or Cumulative Length. This option is available when any
detail is specified: elevation profile, diameter, roughness, or fittings.
Elevation As
Option to specify elevation as change per section (Delta Elevation) or absolute Elevation (y). This option is avail-
able when the Elevation Profile checkbox is selected so the profile is specified.
Settings
Total Length In
Select the scale of units to use for the pipe length: Medium Scale or Long Scale. The actual units from this
choice depend on the active unit set and are shown in parentheses. This setting affects reporting units of Total
Length, Cumulative Length, Section Length, and Distance (x) values.
Fittings Spec
Select to specify fittings, which are used to estimate K values, or to specify K values directly. The latter is equi-
valent to selecting "User Defined" fittings for all sections, and is applicable when a profile is imported with 3D
Bend data (see Import Elevation Profile section for details). This option is available after the option to "Specify
Fittings / K" detail is selected.
View Detail
Elevation Profile
View the elevation profile table and plot. Specify the profile directly if the option to specify elevation profile is
selected. The two columns in the table will match the selections of "Specify Length As" and "Specify Elevation
As".
Fittings and Geometry

View Fittings, Diameter, and Roughness values per section. Fittings values are shown if the option to "Specify
Fittings / K" and "Spec Fittings" are selected.
Specified
Select to view all geometry profiles that are specified. This will include the Elevation profile if the "Specify Elev-
ation Profile" option is selected, the diameter profiles if the "Specify Diameter per Section" option is selected,
and the roughness profile if the "Specify Roughness per Section" option is selected..
Length and Elev

Select to view all length and elevation values per section, whether these are specified or calculated.
Length
Length of each pipe section. If no profiles are specified, the total length is evenly divided between the number of
sections.
Cum. Length
The cumulative length at the end of each section, measured from the pipe inlet. If no profiles are specified, the
total length is evenly divided between the number of sections.
Delta Elev
The elevation change over each section in the pipe. The overall elevation change, calculated from Elevation In
and Elevation Out, is evenly divided between the number of sections when the elevation profile is not specified.
Elevation
The (absolute, y) elevation of the end of each pipe segment. This profile is linear from Elevation In to Elevation
Out if not specified.
Diameter
Select to view all diameter and roughness values per section, whether these are specified or calculated.
Inner Diameter
Inner diameter of each section. All values are the same as the overall Inner Diameter if the "Diameter Per Sec-
tion" option is not selected. Othewise, they are either specified directly in this view or calculated from Outer Dia-
meter and Thickness if the Spec As "OD & Thickness" option is selected.
Outer Diameter
Outer diameter of the pipe wall in each section. All values are the same as the overall Outer Diameter if the "Dia-
meter Per Section" option is not selected. Othewise, they are either specified directly in this view or calculated
from Inner Diameter and Thickness if the Spec As "ID & Thickness" option is selected.
Thickness
Pipe wall thickness in each section. All values are the same as the overall Thickness if the "Diameter Per Sec-
tion" option is not selected. Othewise, they are either specified directly in this view or calculated from Inner Dia-
meter and Outer Diameter if the Spec As "ID & OD" option is selected.
Roughness
Roughness of each section. All values are the same as the overall Roughness if the "Roughness Per Section"
option is not selected.
Profiles (Tab)
General (Tab)
This tab displays profiles of pipe property values from the pipe inlet through each section outlet, in both plot and
tabular form.
Add/Remove
Oil/Water profiles are available when a 2-phase or 3-phase pressure drop correlation is active. Fittings profiles
are available when fittings are active. Detailed heat transfer profiles are available when Detailed heat transfer
calculations are active.
Explanation about some of the variables

Slug Flow Pattern in pipes can be described by the following variables.
Slug Period
The time that a slug unit needs to pass a certain position in the pipe and this is calculated by using[1]:
Variable Definition
g Gravitational constant
d Diameter of Pipe
USL Liquid Superficial Velocity
UM Mixture homogenous velocity
Slug Length
The length of the slug.
Slug Liq Volume

The volume of liquid in the slug.
Plot
X Axis
Y Axis
Y2 Axis
Plot Window
Plot control
Check Boxes
Advanced…
form:
Save As JPG…
Copy
Print…
Table
Velocity (Tab)
This tab shows data that is useful in analysis of the velocity performance of the pipe. This includes a detailed
breakdown of the calculated velocity by phase, as well as velocity limits due to erosion and sonic conditions.
Plot
Table
Process Velocity
Bulk
Velocity of the bulk fluid through the pipe. The maximum value in the pipe is shown along with to the option to
show the profile in the table or plot.
Gas
Velocity of the gas / vapor phase through the pipe. The maximum value in the pipe is shown along with to the
Liquid
Velocity of the bulk liquid phase through the pipe. The maximum value in the pipe is shown along with to the
Gas
table or plot.
Liquid
table or plot.
Speed of Sound
Active
Status
Shows "OK" if the bulk fluid velocity is below the speed of sound through the pipe, otherwise shows "Choked"
warning.
Mach
The maximum Mach No. through the pipe. This indicates the maximum ratio of velocity to speed of sound.
Active
results in the frame (below).
Flow Regime
Select the regime that applies to the pipe in service. This regime determines the erosional velocity constant in
Status
Shows "OK" if the bulk fluid velocity is below the erosional velocity limit through the pipe, otherwise shows "Velo-
city Above Limit" warning.
Other

This tab shows data that is useful in analysis of phase changes along the pipe. This includes hydrate and wax
prediction along with a phase envelope.
Pipeline Path
Select to view active solids formation temperature and the pipe temperature profiles along the pipe path (cumu-
Envelope
ive solids formation lines. This plot also includes the pipe T and P at each section.
Hydrates
Active
frame (below).
Shortcut Hydrate
conditions.
Check
Option of points to check for hydrate formation calculations.
Inlet & Outlet
Calculate hydrate formation at the inlet and outlet of the pipe. This setting provides a rough check of the
All Sections
Calculate hydrate formation at the inlet of the pipe and the outlet of each section.
Status
Shows "OK" if the fluid temperature is above the hydrate formation temperature through the pipe, otherwise
shows "Hydrate Formed" warning.
Min Hyd App T [F]

be negative if hydrates are formed in the pipe, indicating the minimum temperature increase required to prevent
hydrate formation.
Wax
Active
(below).
Check
Inlet & Outlet
Calculate wax appearance at the inlet and outlet of the pipe. This setting provides a rough check of the
All Sections
Calculate wax appearance at the inlet of the pipe and the outlet of each section.
Status
Shows "OK" if the fluid temperature is above the wax appearance temperature through the pipe, otherwise
Min Wax App T [F]

be negative if wax appears in the pipe, indicating the minimum temperature increase required to prevent wax
appearance.
Phase Criteria
ance prediction.

This tab shows component profiles along the pipe path (cumulative length). It is used to track component con-
centration or amount through the pipe.
Basis
(Moles/Mass).
Tracking Profiles
Heat Transfer (Tab)

This tab is visible when heat transfer is calculated, i.e. when Heat Transfer Calc Type is not set to Adiabatic.
The tab contains all variables required to calculate heat transfer in the pipe along with detailed results.
Calc Type
Select the level of detail to be applied in heat loss calculations.
Simple
Calculate heat transfer from a specified U or Duty.
Detailed
Calculate heat transfer from correlations. This setting can take into account the inner heat transfer coefficient,
buried pipe conditions, air or water convection, conduction through pipe wall and additional (ex. insulation) lay-
ers, and radiant heat transfer.
Simple Heat Transfer
Overall
OutQ
U
Outside Data
This drop down allows the external T to be specified locally (Specify) or to be based on the global conditions
defined in the flowsheet (Ambient).
External T
Specify Per Section
Q/U
Select to specify Q or U per section instead of as an overall value for the pipe. A drop down will appear after this
is selected to indicate which of the two properties is specified.
External T
Select to specify External T per section instead of as an overall value for the pipe.
Spec Length As
Option to specify length per section as Section Length or Cumulative Length. This drop down will appear if any
of the above are specified per section, and no profiles in the Pipe Detail tab are specified per section.

This tab shows heat transfer values per section, whether these are calculated or specified per section (as indic-
ated in frame above).
Length / Cum. Length

Length of each pipe section. If Cumulative Length is specified, this column will show Cumulative Length from
the pipe inlet.
Q
The amount of energy transferred from the fluid in the pipe section to the atmosphere. The overall duty is evenly
distributed to all sections when this overall OutQ is specified. Otherwise, the Q per section is specified directly in
this view when "Q Per Section" option is selected, or calculated from U of each section.
U
The overall heat transfer coefficient between the fluid inside the pipe section and the surrounding atmosphere
based on the inner area of the pipe section. All values are the same as the overall U if the "U Per Section" option
is not selected. Othewise, they are specified directly in this view or calculated from Q, the duty of each section.
External T
The temperature of the pipe segment surroundings. All values are the same as the overall External T if the
"External T Per Section" option is not selected. Othewise, they are specified directly in this view.
Process T
Temperature of the process fluid at the inlet of each section.
Plot (Tab)
This tab shows a plot of the Process T, External T, and Q Loss (cumulative energy transferred from the pipe to
the atmosphere) along the pipe (cumulative length).
Detailed Heat Transfer
Overall
OutQ
The energy transferred from the fluid in the pipe to the atmosphere (calculated).
U
Outside Data / Surface Data

This drop down allows the surrounding data such as air/water temperature to be specified locally (Specify) or to
be based on global conditions defined in the flowsheet (Ambient). This applies to Air / Water T and External
Air/Water Velocity (where applicable).
It will be labeled "Surface" Data when the pipe is buried, as it applies to above-ground conditions.
Air / Water T
The temperature of the pipe segment (above-ground) surroundings. It will be labeled Air or Water based on the
selected convection correlation for Outer Heat Transfer.
Air Velocity
The air velocity perpendicular to the pipe's length. Visible when outer heat transfer correlation is set to Forced
Conv. Air.
Water Velocity
The water velocity perpendicular to the pipe's length. Visible when outer heat transfer correlation is set to
Forced Conv. Water.
Buried Pipe
Select to indicate that the pipe is at least partially below ground. A Buried HT Correlation will be used to cal-
culate the outer heat transfer coefficient. Some buried heat transfer correlations will take into account the sur-
face heat transfer coefficient as well.
Burial Depth
The average depth at which the centre of the pipe is buried. If the pipe is partially buried a weighted average of
the exposed and buried heat transfer coefficients is applied.
Ground T
Temperature of the soil around the buried portion of the pipe. This is used to calculate the outer heat transfer
coefficient when the pipe is fully buried and the Buried HT correlation is not set to "Surface-T Based".
Ground Type
Material type around the buried portion of the pipe, used to estimate the conductivity of the ground.
(Ground) Conductivity
The thermal conductivity of the ground material that the pipe is buried in.
Outer Heat Transfer
Buried HT Corr
The correlation used to calculate the outer HTC for the buried fraction of the pipe.
Zakarian
This correlation is recommended for pipes at any depth. It takes into account Ground T if the pipe is fully buried,
as well as heat transfer resistance to the surface (air/water) T. (Oh, D. Park, J.M. Zakarian, E. and Lee, J,
2014)
Surface T-Based
This correlation is recommended for pipes buried close to the surface. It assumes thermal equilibrium between
the ground and the surface regardless of burial depth, so the heat transfer resistance is calculated to surface
(air/water) T. The surface resistance is calculated from the selected Surface Correlation.
In earlier versions of VMGSim this was knows as the "Modified Burial Corr".
Ground T-Based
This correlation can be used for pipes buried deep underground. It assumes heat transfer resistance to Ground
T if the pipe is fully buried. Otherwise surface T dominates.
The equation below is used to calculate the outer heat transfer coefficient for the pipe. (Yong Bai & Qiang Bai,
2005)
This correlation was used in earlier versions of VMGSim when a pipe was buried and not using the "Modified
Burial Corr".
Correlation / Surface Corr

The correlation used to calculate the outer heat transfer coefficient, between the pipe wall and the outside con-
ditions. This is labeled "Surface Corr" if the pipe is buried, and used to calculated the above-ground heat trans-
fer coefficient.
Constant
ted.
Free Conv. Air

This option assumes all heat transfer on the outside of the pipe is caused by natural convection of dry air at 1
atmosphere of pressure. The calculations use the general form of the Nusselt equation with a relation between
the Prandtl and Grashof numbers and the film coefficient dependent on elevation (horizontal, vertical, or
slanted) and outside film condition air properties (Nellis and Klein, 2009) (Holman, 1997).
Free Conv. Water

This option assumes all heat transfer on the outside of the pipe is caused by natural convection of liquid water at
1 atmosphere of pressure. The calculations use the general form of the Nusselt equation with a relation
between the Prandtl and Grashof numbers and the film coefficient dependent on elevation (horizontal, vertical,
or slanted) and outside film condition water properties (Nellis and Klein, 2009) (Holman, 1997). Boiling region
mechanisms for increased heat transfer are not considered within this option.
Forced Conv. Air

variable, is acting on top of the free convection for heat transfer on the outside of the tube. The calculations use
outside film condition air properties and a generalized average heat transfer calculation assuming cross flow to
the cylindrical reactor (Knudsen and Katz, 1958) (Hilpert, 1933).
Forced Conv. Water

This option assumes forced convection associated with a specified water velocity, as provided in the Water
Velocity variable, is acting on top of the free convection for heat transfer on the outside of the tube. The cal-
culations use outside film condition water properties and a generalized average heat transfer calculation assum-
ing cross flow to the cylindrical reactor (Knudsen and Katz, 1958) (Hilpert, 1933).
HTC
HTC Scale
transfer. Only the outer convective heat transfer contribution is affected.
Calc Radiant HT
Checking this option includes radiant heat transfer on the outside of the pipe. The radiant heat transfer is driven
by an equation taking into account the ambient temperature, outside wall temperature, outer process emissiv-
ity, and the wall emissivity.
Radiant HT Method
The method used to calculate the radiant heat transfer on the outside of the pipe.
Grey Body
(Kern, 1950).
ISO Fire Heat

Outside Emissivity

Emissivity of the pipe's outer wall.
Outer Wall Absortivity

Absortivity of the pipe's outer wall. This value is only used if the Radiant HT Method is set to ISO Fire Heat.
Inner Heat Transfer
Correlation
The correlation used to calculate the heat transfer coefficient between the process fluid and the pipe wall.
Constant
ted.
FreeConv
This option assumes all heat transfer on the inside of the pipe is caused by natural or free convection. The cal-
culations use the general form of the Nusselt equation (Perry et al., 1997).
Dittus
HTubeMix
(Holman, 1997).
Rigorous
HTC
HTC Scale
transfer. Only the inner convective heat transfer contribution is affected.
Calc Radiant HT
Checking this option includes radiant heat transfer on the inside of the pipe. The radiant heat transfer is driven
Process Emissivity
The emissivity of the inner process fluid, should be a value between 0 and 1. Estimates of this value can be
determined based on considerations such as fluid composition and average process temperature (Bahadori
and Vuthaluru, 2009).

The emissivity of the pipe inner wall. An example would be an emissivity of 0.79 for an oxidized steel at ~600 C,
or 0.28 for a mild molten steel surface ~1600 C (Hewitt, Shires, and Bott, 1994).
Specify Per Section

Select this checkbox to specify heat loss variables per section.
When not selected, all the heat loss settings are applied to the whole pipe. When selected, the following sets of
variables can be specified per section:
Air / Water T
Select to specify this T per section in the Section Detail tab.
Outlet Heat Transfer

Select to specify the outer heat transfer Correlation / Surface Corr, the Outer HTC Scale and the Outer HTC
(when applicable) per section in the Section Detail tab.
Inner Heat Transfer

Select to specify the inner heat transfer Correlation, the Inner HTC Scale and the Inner HTC (when
applicable) per section in the Section Detail tab.
Wall and Insulation (Tab)

Data for the wall layers of the pipe is provided here. Conductive resistance through each wall layer accounts for
cylinderical geometry through a log mean surface area adjustment.
Pipe Wall
Layer Name
Name for the pipe wall (inner-most) layer. This layer always exists. Its name is only visible if there are more lay-
ers outside the pipe wall.
Material
Material of the pipe wall. Used to load the thermal conductivity of this layer. This setting is visible here if there
are no more layers outside the pipe wall; otherwise, it will be in the Layers frame below.
Thermal Cond.
Thermal conductivity of the wall layer.It is loaded based on the selected wall Material, but it can be edited if the
Material is set to User Specified. Many heat transfer references have good temperature dependent data for dif-
ferent metal thermal conductivities (Kern, 1950) (Holman, 1997) (Peters and Timmerhaus, 1991). This setting
is visible here if there are no more layers outside the pipe wall; otherwise, it will be in the Layers frame below.
Thickness
Thickness of the pipe wall. Also available in the Summary tab and the Pipe Detail tab.
Inner Diameter
Inner Diameter of the pipe wall. Also available in the Summary tab and the Pipe Detail tab.
Outer Diameter
Outer Diameter of the pipe wall. Also available in the Summary tab and the Pipe Detail tab.
Steam/Electric Heat Tracing
Type
Custom – user-defined steam HTC
DLS—double-layer steam tracing
SLS—single-layer steam tracing
BTS—bare-tube steam tracing
HTC—heat transfer compound steam tracing
Electric — electric tracing. This provided a duty specification, rather than a temperature specification
Steam T
Steam temperature
Steam HTC
Heat transferred per length of pipe per delta T
Tracing Duty
Tracing duty per length of pipe
No. of Layers Outside Pipe Wall

The number of layers (for example, for insulation) outside of the pipe wall.
Specify Layers Per Section

The option to specify layers per section is available when the general "Specify Per Section" checkbox in the
Heat Transfer tab is checked. Select this checkbox to specify a different number of layers per section or dif-
ferent layer properties per section.
Layers
This frame contains information for each wall layer when there are layers outside the pipe wall.
The layout changes for multi-section input when the option to specify layers per section is selected.
Name / Layer Name

Name of the layer.
Material
Material of the layer. Used to load the thermal conductivity of the layer.
Thermal Cond. / Cond.

Thermal conductivity of the layer. It is loaded based on the selected layer Material, but it can be edited if the
Material is User Defined.
Thickness
Thickness of the layer. The first layer (in each section, if multi-section) is the pipe wall. The pipe wall thickness is
also available in the Summary tab and the Pipe Detail tab.

This table summarizes Detailed heat transfer results per section.
Results include the outer and inner heat transfer coefficients, the radiant contribution when applicable, the over-
all heat transfer coefficient U, heat flux and duty, process temperature and the temperature at each wall layer
interface.
The table allows input per section when the "Specify Per Section" option is active. A filter appears at the top in
this case to select the set(s) of variables to show on the table.
Air T
Select this option to view the Air / Water T per section. The temperature per section is specified here if the
option to Specify Per Section: Air T is selected. Otherwise, all values are the same as the overall Air/Water T.
Outer HT
Select this option to view the Outer HT results per section (Outer HTC). The outer heat transfer Correlation /
Surface Corr and the Outer HTC Scale are also shown to be specified per section if the option to Specify Per
Section:Outer HT is selected.
Inner HT
Select this option to view the Inner HT results per section (Inner HTC). The inner heat transfer Correlation and
the Inner HTC Scale are also shown to be specified per section if the option to Specify Per Section:Inner HT is
selected.
Pipe T
Select this option to view the process temperature and the temperature at each wall layer interface for each sec-
tion.
Plot (Tab)
The plot shows Detailed heat transfer results along the pipe (cumulative length). These results include the pro-
cess temperature and the temperature at each wall layer interface, the ground and/or ambient temperature
(s) as applicable, and the cumulative duty through the pipe.
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Pigging (Tab)
Pig Geometry
Diam
Specifies the diameter of the pig.
Length
Specifies the length of the pig.
Weight
Specifies the weight of the pig.
Hole Diam.
Specifies the diameter of the hole in the pig. For no hole use 0.
Slack Diam.
Specifies the slack diameter of the pig. This is the diameter of the pig when it is not in the pipe
Wall Fric. dP
This specifies the pressure loss due to friction between the pig and the pipe wall.
Pig Data
This section reports data for the pig in the pipe. If there are multiple pigs in the pipe, it reports data for the
primary pig.
Pig Velocity
The current velocity of the pig.
Pig Location
The current location of the pig, measured from the front of the pipe.
Segment
Which pipe segment currently contains the pig.
Hole Velocity
The fluid velocity through the hole in the pig (if there is a hole).
Delta P
The pressure drop across the pig.
Pigs
This section reports data for all of the pigs in the pipe
Velocity
The current velocity of the pig.
Location
The current location of the pig, measured from the front of the pipe.
Delta P
The pressure drop across the pig.
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type

Notes (Tab)
References
Gregory, G. A. and Scott, D. S. , (1969), “Correlation of liquid slug velocity and frequency in horizontal co-cur-
rent gas-liquid slug flow”, AIChE Journal , Vol. 15, pp. 833-835.
Process Calculator
Process Calculator
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Logical\ProcCalc_Functions.vmp

Flowsheeting Examples\TEGCase_MAKE UP.vmp
General
The process calculator is a flexible and powerful tool that enables the user to interact with live process variables
from the simulation. It can be used to perform custom calculations and export their values back into the model
by providing an interface similar to a spreadsheet which includes a wide set of built-in functions. The process cal-
culator also provides a rich set of visual formatting features, which makes it an ideal tool for creating nice cus-
tomized summaries of the key variables of a model to either "drive" the simulation or create a concise report.
Process Calculator(Tab)
This is the main tab; it is the workspace of the process calculator. Cells can be linked to variables in the sim-
ulation. This can be done using the link button or the right click menu.
Links
Linking to variables in the simulation is simple. Depending on the formula, the process calculator decides if the
link is an import or an export. The user has control over the units of the links (See formatting section for details).
All the linked cells contain a tooltip icon. When the mouse hovers over, it displays the connection and the units of
the cell. The tooltip icon is blue when the cell is linked and the cell does not contain user notes, and purple when
it also contains user notes.
Exports
Cells that contain a formula that starts with an equal sign “=” are taken as exports, these cells cannot be con-
nected to read only variables or calculated variables. The values of these cells are always pushed to the other
unit operations and the color code of these cells is green.
Imports
The cells that do not have a formula that starts with an equal sign ”=“ are taken as imports, and depending on
the status of the variable (i.e. calculated or specified) the values may be modified within the process calculator.
This example shows how an import depending on the status of the variable can still be modified within the pro-
cess calculator.
The figure above shows that all the variables from the Main Data frame where imported into the process cal-
culator. Observe that the formatting of the variables is preserved (Blue background and bold for specs, white
background for calculated).
Although OuQ, DeltaP, H2_QuenchT and CO_QuenchT were imported, they can still be modified in both
places (unit operation and process calculator).
In the figure above observe how the Delta P can be modified in the process calculator.
Now when trying to modify the H2S:SO2_Ratio the cell never goes into edit mode, just as it behaves in the unit
operation form. When a cell cannot be modified the formula bar appears grayed out.
Link Button
This button brings the navigation form in order to select a variable to link to.
Disconnect Button
When a connected cell is selected the link button disappears and this button takes its place. When dis-
connecting an import the value of the variable that was connected is taken as the formula of the cell. In case of
an export the formula remains untouched.
Formatting section
When the expand button is clicked the Formatting section is visible
Unit
For linked cells, the units of the linked cell are shown and can be modified. Note that this unit is the one that was
active at the moment of the connection. They are not affected by changes on the active unit set.
Number Format
Assigns a number format to the selected range. It is used to select the number of decimal places to be dis-
played. Scientific notation is supported.
Connection
Displays the path of the link.
Bold button
Assigns bold face to the selected range.
Italic button
Assigns italic face to the selected range.
Underline button
Underlines the selected range.
Font Name
Assigns a font to the selected range.
Font Size
Assigns a font size to the selected range.
Font Color
Assigns a font color to the selected range.
Cell Color
Assigns a cell color to the selected range.
Notes
Assigns a note to the selected cell.
When a cell contains a note it displays a tooltip icon in red.
Supported Functions and operands

CELLINFO
Returns required information from a linked cell.
This function is very useful when creating a custom interface, it requires 2 parameters: the cell and the required
information.
The required information can be “Units”, “Name”, “InternalName” or ”Path”.
If B2 is linked, and we want to display in the next cell (C2 in this case) the units
of the variable, we can do it by typing the formula “=CELLINFO(B2,”Units”).
In the figure above the cells in column A use the formula CELLINFO to display the paths of the linked cells of
column B. The cells in column C use the formula CELLINFO to display the units of the same cells.
HLOOKUP
Finds a lookup value in the top row of a table and returns the value in the same column and a given row.
HLookup(searchKey, table_array, ret_index, not_exact_match=0)
This function is useful when comparison values are located horizontally, in the same row in the process cal-
culator, and you want to obtain the related value in a different row.
It requires 3 parameters: the lookup value (searchKey), the table to search (table_array), and the relative index
of the row value to return (ret_index). It accepts 1 optional parameter to determine the behaviour of the function
when the lookup value is not found (not_exact_match).
The function will search the first row in table_array for a cell that matches the value of the searchKey para-
meter. If this cell is found, the function will return the value of the cell at that same column and the ret_index row.
A ret_index value of 1 refers to the first row in table_array.
A ret_index value of less than 1 will result in a #VALUE! error, and a ret_index value that is outside of the table_
array range will result in a #REF! error.
not_exact_match is an optional parameter; it determines the behavior of the function when the searchKey value
is not found in the first row of table_array.
If not_exact_match is set to 0 (default), the function will return an #UNKWN! error.
If not_exact_match is set to 1, the function will search the first row in table_array for the cell with the greatest
value that is less than searchKey. If this value is found, the function will return the value of the cell at that same
column and the ret_index row. Otherwise, the function will return an #UNKWN! error.
Special Notes:
- Values in the first row may be unsorted.
- If more than one cell matches the searchKey value, the one with the lowest column index will be used.
- String comparison is case-sensitive.
In the image above HLOOKUP is used to find the CASN value of a component given its formula.
VLOOKUP
Finds a lookup value in the first column of a table and returns the value in the same row and a given column.
VLookup(searchKey, table_array, ret_index, not_exact_match=0)
This function is useful when comparison values are located vertically, in the same column in the process cal-
culator, and you want to obtain the related value in a different column.
of the column value to return (ret_index). It accepts 1 optional parameter to determine the behaviour of the func-
tion when the lookup value is not found (not_exact_match).
The function will search the first column in table_array for a cell that matches the value of the searchKey para-
meter. If this cell is found, the function will return the value of the cell at that same row and the ret_index column.
A ret_index value of 1 refers to the first column in table_array.
is not found in the first column of table_array.
If not_exact_match is set to 1, the function will search the first column in table_array for the cell with the greatest
Special Notes:
- Values in the first column may be unsorted.
- If more than one cell matches the searchKey value, the one with the lowest row index will be used.
In the image above VLOOKUP is used to find the minimum boot diameter given a vessel diameter. Note that
exact values are not relevant here, we are looking for ranges, so not_exact_match is set to 1.
CIRCLE SEGMENT GEOMETRY FUNCTIONS

These functions calculate the area, chord height, or chord length of a circle segment.
Common applications include geometry calculations for vessel sizing and tower tray sizing.
CIRCSEGAREA
Returns the segment area and requires 2 parameters: chord height and radius
CHORDHEIGHT
Returns chord height for the segment and requires 2 parameters: chord length and radius
CHORDLENGTH
Returns chord length for the segment and requires 2 parameters: chord height and radius
Implemented functions
This is the list of supported functions
Func Name Parameters Description

ABS Number Absolute value of a number
ACOS Number Arccosine of a number
ACOSH Number Inverse hyperbolic cosine of a number
ASIN Number Arcsine of a number
ASINH Number Inverse hyperbolic sine of a number
ATAN Number Arctangent of a number
ATANH Number Inverse hyperbolic of a number
CEILING Number Rounds a number up
COS Number Cosine of a number
COSH Number Hyperbolic cosine of a number
DEGREES Radians Radians to degrees
EXP Number Raises a number to the power
FACT Number Factorial of a number
FLOOR Number Round a number down
INT Number Rounds a number down
LN Number Natural logarithm of a number
LOG number, [base] Logarithm of a number to a specified base (10
when no base specified)

LOG10 Number Base 1- logarithm
MOD number, divisor Remainder from division
PI Value of Pi
POWER number, power Number raised to a power
RADIANS Degrees Degrees to radians
RAND Random number between 0 and 1
RANDBETWEEN number1, number2 Random number between two numbers
ROUND number, digits Rounds a number to a specified number of digits
SIGN Number Sign of a number
SIN Number Sine of a number
SINH Number Hyperbolic sine of a number
SQRT Number Square root
SUM numbers or range Adds its arguments
TAN Number Tangent of a number
TANH Number Hyperbolic tangent of a number
TRUNC Number Truncates a number to an integer
AVERAGE Range Average of the range

COUNT Range Counts the items of a range
MAX Range Maximum value in a range
MEDIAN Range Median of a range
MIN Range Minimum value of a range
STDEV Range Standard deviation of a range
LOWER Text Converts to lower case
TRIM Text Removes spaces from text
UPPER Text Converts to upper case
IF Condition, True Value, Evaluates a condition, and returns the value
False Value accordingly to the result
AND Values Returns True if all values evaluate to True; False
otherwise
OR Values Returns True if at least one value evaluates to
True; False otherwise
STR Value Converts the value to string
CELLVALUE Row index, Column Returns the value of the cell at the row and
index column index (start at 1)
ADDOPCTIME OPC time value, number Returns the OPC time equivalent to the given
of seconds OPC time plus the specified number of seconds
ISOPCTIMEEQUAL OPC time value, OPC Returns True if the difference between the OPC
time value, tolerance time values is less than or equal to the specified tol-
erance (in seconds); False otherwise
Implemented Operands
This is the list of supported Operands
Operator Description
^ Exponentiation
** Exponentiation
* Multiplication
/ Division
+ Addition (When used with text, con-
catenates)
- Subtraction
= Equality
== Equality
<> Inequality
!= Inequality
< Less than
> Greater than
>= Greater than or equal to
<= Less than or equal to
Dynamics
Overall, behavior of the process calculator in dynamics is the same as in steady state. The differences are:
l Connections can be made or broken only while the integrator is stopped
l The calculations are not triggered by changes in imported/exported variables. They happen when
l A connection is made/broken
l Once each integrator step
l Like other control type operations, there is no guarantee about sequencing, so signals may be delayed by
one integrator step if the ordering is unfavorable
Settings (Tab)

Whether or not hide the lines in the PFD (Visio)
Rows
Number of rows in the process calculator (Maximum of 5,000)
Columns
Number of columns in the process calculator (Maximum of 700)
The Process calculator uses the Language Recognition tool ANTLR http://www.antlr.org/
Process Calculator Example

In this example the case TEGCase, is used to show how the make up of TEG can be done using the process cal-
culator instead of calculated by the mixer. Also some features of the process calculator are going to be shown.
First remove the MassFlow spect in /M1.Out, and transfer it to the stream Lean_TEG, to do this it is necessary
that the value of StdLiqVolumeFlow recycle is removed, create a signal port of the type MassFlow and set a
value of 80 lb/h
Now add a process calculator to the flowsheet.

Importing the MoleFlow of TRIETHYLENE_GLYCOL from Cooled_SalesGas in B5. To do this go to the form
of Cooled_SalesGas do a right click and do copy connection.
Go to the process calculator and in cell B5 right click and do Paste Connection
Now the cell B5 is importing the value from /Cooled_Sales_Gas
Do the same for /Flash_Gas.In.MoleFlows.TRIETHYLENE_GLYCOL in B6 and /Flash_

Gas.In.MoleFlows.TRIETHYLENE_GLYCOL in B7
Now use the CELLINFO formula to bring labels of paths and units to the process calculator.
In cell A5 edit the formula, write “=CELLINFO(B5,”Path”), in cell C5 write “=CELLINFO(B5,”Units”), Observe
the results.
Double click on the line between A and B to auto size the column
Copy cell A5, select cells A6 and A7, paste. Copy cell C5, select C6 and C7, paste.
We need the sum of the 3 values, to do this in cell B8 add the formula =SUM(B5:B7)
Now import /TEG_Makeup.In.Fraction.TRIETHYLENE GLYCOL to B9, add the CELLINFO formula to A9 and
C9
Now calculate the MoleFlow, in B10 add the formula =B8/B9
Now that we have the mole flow, export it to /TEG_Makeup.In.MoleFlow (Copy Connection/Paste Con-
nection). Copy the CELLINFO formulas to A11 and C11 to bring the labels.
With the information from the export, the model is ready to solve.
Process Calculator Dynamics

Process Calculator - Dynamics
Main Flow sheet
PFD Stencil
Examples ProcCalc_Functions.vmp
TEGCase_MAKE UP.vmp
General
The process calculator is a flexible and powerful tool that enables the user to interact with live process variables
from the simulation. It can be used to perform custom calculations and export their values back into the model
by providing an interface similar to a spreadsheet which includes a wide set of built-in functions. The process cal-
culator also provides a rich set of visual formatting features, which makes it an ideal tool for creating nice cus-
tomized summaries of the key variables of a model to either "drive" the simulation or create a concise report.
Dynamics
Overall, the behavior of the process calculator in dynamics is the same as in steady state. The differences are:
l Connections can be made or broken only while the integrator is stopped
l The calculations are not triggered by changes in imported/exported variables. They happen when:
l A connection is made/broken
l Once each integrator step
l Like other control type operations, there is no guarantee about sequencing, so signals may be delayed by one
integrator step if the ordering is unfavorable
Process Calculator(Tab)
This is the main tab; it is the workspace of the process calculator. Cells can be linked to variables in the sim-
ulation. This can be done using the link button or the right click menu.
Links
Linking to variables in the simulation is simple. Depending on the formula, the process calculator decides if the
link is an import or an export. The user has control over the units of the links (See formatting section for details).
All the linked cells contain a tooltip icon. When the mouse hovers over, it displays the connection and the units of
the cell. The tooltip icon is blue when the cell is linked and the cell does not contain user notes, and purple when
it also contains user notes.
Exports
Cells that contain a formula that starts with an equal sign “=” are taken as exports, these cells cannot be con-
nected to read only variables or calculated variables. The values of these cells are always pushed to the other
unit operations and the color code of these cells is green.
Imports
The cells that do not have a formula that starts with an equal sign ”=“ are taken as imports, and depending on
the status of the variable (i.e. calculated or specified) the values may be modified within the process calculator.
This example shows how an import depending on the status of the variable can still be modified within the pro-
cess calculator.
The figure above shows that all the variables from the Main Data frame where imported into the process cal-
culator. Observe that the formatting of the variables is preserved (Blue background and bold for specs, white
background for calculated).
Although OuQ, DeltaP, H2_QuenchT and CO_QuenchT were imported, they can still be modified in both
places (unit operation and process calculator).
In the figure above observe how the Delta P can be modified in the process calculator.
Now when trying to modify the H2S:SO2_Ratio the cell never goes into edit mode, just as it behaves in the unit
operation form. When a cell cannot be modified the formula bar appears grayed out.
Link Button
This button brings the navigation form in order to select a variable to link to.
Disconnect Button
When a connected cell is selected the link button disappears and this button takes its place. When dis-
connecting an import the value of the variable that was connected is taken as the formula of the cell. In case of
an export the formula remains untouched.
Formatting section
When the expand button is clicked the Formatting section is visible
Unit
For linked cells, the units of the linked cell are shown and can be modified. Note that this unit is the one that was
active at the moment of the connection. They are not affected by changes on the active unit set.
Number Format
Assigns a number format to the selected range. It is used to select the number of decimal places to be dis-
played. Scientific notation is supported.
Connection
Displays the path of the link.
Bold button
Assigns bold face to the selected range.
Italic button
Assigns italic face to the selected range.
Underline button
Underlines the selected range.
Font Name
Assigns a font to the selected range.
Font Size
Assigns a font size to the selected range.
Font Color
Assigns a font color to the selected range.
Cell Color
Assigns a cell color to the selected range.
Notes
Assigns a note to the selected cell.
When a cell contains a note it displays a tooltip icon in red.
Supported Functions and operands

CELLINFO
Returns required information form a linked cell.
This function is very useful when creating a custom interface, it requires 2 parameters: the cell and the required
information.
The required information can be “Units”, “Name”, “InternalName” or ”Path”.
If B2 is linked, and we want to display in the next cell (C2 in this case) the units of the variable, we can do it by
typing the formula “=CELLINFO(B2,”Units”).
In the figure above the cells in column A use the formula CELLINFO to display the paths of the linked cells of
column B. The cells in column C use the formula CELLINFO to display the units of the same cells.
HLOOKUP
Finds a lookup value in the top row of a table and returns the value in the same column and a given row.
HLookup(searchKey, table_array, ret_index, not_exact_match=0)
This function is useful when comparison values are located horizontally, in the same row in the process cal-
culator, and you want to obtain the related value in a different row.
of the row value to return (ret_index). It accepts 1 optional parameter to determine the behaviour of the function
when the lookup value is not found (not_exact_match).
The function will search the first row in table_array for a cell that matches the value of the searchKey para-
meter. If this cell is found, the function will return the value of the cell at that same column and the ret_index row.
A ret_index value of 1 refers to the first row in table_array.
is not found in the first row of table_array.
If not_exact_match is set to 1, the function will search the first row in table_array for the cell with the greatest
Special Notes:
- Values in the first row may be unsorted.
- If more than one cell matches the searchKey value, the one with the lowest column index will be used.
In the image above HLOOKUP is used to find the CASN value of a component given its formula.
VLOOKUP
Finds a lookup value in the first column of a table and returns the value in the same row and a given column.
VLookup(searchKey, table_array, ret_index, not_exact_match=0)
This function is useful when comparison values are located vertically, in the same column in the process cal-
culator, and you want to obtain the related value in a different column.
of the column value to return (ret_index). It accepts 1 optional parameter to determine the behaviour of the func-
tion when the lookup value is not found (not_exact_match).
The function will search the first column in table_array for a cell that matches the value of the searchKey para-
meter. If this cell is found, the function will return the value of the cell at that same row and the ret_index column.
A ret_index value of 1 refers to the first column in table_array.
is not found in the first column of table_array.
If not_exact_match is set to 1, the function will search the first column in table_array for the cell with the greatest
Special Notes:
- Values in the first column may be unsorted.
- If more than one cell matches the searchKey value, the one with the lowest row index will be used.
In the image above VLOOKUP is used to find the minimum boot diameter given a vessel diameter. Note that
exact values are not relevant here, we are looking for ranges, so not_exact_match is set to 1.
CIRCLE SEGMENT GEOMETRY FUNCTIONS

These functions calculate the area, chord height, or chord length of a circle segment.
Common applications include geometry calculations for vessel sizing and tower tray sizing.
CIRCSEGAREA
Returns the segment area and requires 2 parameters: chord height and radius
CHORDHEIGHT
Returns chord height for the segment and requires 2 parameters: chord length and radius
CHORDLENGTH
Returns chord length for the segment and requires 2 parameters: chord height and radius
Implemented functions
This is the list of supported functions
Func Name Parameters Description

ABS Number Absolute value of a number
ACOS Number Arccosine of a number

ACOSH Number Inverse hyperbolic cosine of a num-
ber
ASIN Number Arcsine of a number
ASINH Number Inverse hyperbolic sine of a number
ATAN Number Arctangent of a number
ATANH Number Inverse hyperbolic of a number
CEILING Number Rounds a number up
COS Number Cosine of a number
COSH Number Hyperbolic cosine of a number
DEGREES Radians Radians to degrees
EXP Number Raises a number to the power
FACT Number Factorial of a number
FLOOR Number Round a number down
INT Number Rounds a number down
LN Number Natural logarithm of a number
LOG number, [base] Logarithm of a number to a spe-
cified base (10 when no base spe-
cified)
LOG10 Number Base 1- logarithm
MOD number, divisor Remainder from division
PI Value of Pi
POWER number, power Number raised to a power
RADIANS Degrees Degrees to radians
RAND Random number between 0 and 1
RANDBETWEEN number1, num- Random number between two num-
ber2 bers
ROUND number, digits Rounds a number to a specified
number of digits
SIGN Number Sign of a number
SIN Number Sine of a number
SINH Number Hyperbolic sine of a number
SQRT Number Square root
SUM numbers or range Adds its arguments
TAN Number Tangent of a number
TANH Number Hyperbolic tangent of a number
TRUNC Number Truncates a number to an integer
AVERAGE Range Average of the range

COUNT Range Counts the items of a range
MAX Range Maximum value in a range
MEDIAN Range Median of a range
MIN Range Minimum value of a range
STDEV Range Standard deviation of a range
LOWER Text Converts to lower case
TRIM Text Removes spaces from text
UPPER Text Converts to upper case

IF Condition, True Evaluates a condition, and returns
Value, False the value accordingly to the result
Value
AND Values Returns True if all values evaluate
to True; False otherwise
OR Values Returns True if at least one value
evaluates to True; False otherwise
STR Value Converts to string
CELLVALUE Row index, Returns the value of the cell at the
Column index row and column index (start at 1)
ADDOPCTIME OPC time value, Returns the OPC time equivalent to
number of the given OPC time plus the spe-
seconds cified number of seconds
ISOPCTIMEEQUAL OPC time value, Returns True if the difference
OPC time value, between the OPC time values is
tolerance less than or equal to the specified tol-
erance (in seconds); False oth-
erwise
Implemented Operands
This is the list of supported Operands
Operator Description
^ Exponentiation
** Exponentiation
* Multiplication
/ Division
+ Addition (When used with text, con-
catenates)
- Subtraction
= Equality
== Equality
<> Inequality
!= Inequality
< Less than
> Greater than
>= Greater than or equal to
<= Less than or equal to
Settings (Tab)

Whether or not hide the lines in the PFD (Visio)
Rows
Number of rows in the process calculator (Maximum of 5,000)
Columns
Number of columns in the process calculator (Maximum of 700)
Property Table
Property Table
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Information Operations\PropertyTable.vmp
General
The Property Table unit operation will generate physical property data sets for a given material port by manip-
ulating two independent intensive physical properties over a user defined range. For example, the Property
Table could be used to generate a data set of density and viscosity values of a material stream for a range of
user specified temperature and pressures. The values of the In or Out material port will not be changed by the
property table operation, it only uses the available information to calculate the desired property table and then
propagates the information to the appropriate port.
Summary(Tab)
Material
Variables(Tab)
The Variables tab is where the property table unit operation is configured.
Independent Variables
The X and Y variable pull down menus allows the two desired independent intensive variables to be selected
and configured. The following combinations of variables are available:
Pressure Vapour Frac- Enthalpy (H) Entropy (S)

tion (VF)
Temperature Yes Yes Yes Yes
Pressure Yes Yes Yes
Vapour Frac- Yes Yes
tion (VF)
Enthalpy (H) Yes
Once an X or Y variable is chosen, three cells will be added below the respective variable. These allow the
range and number of points of the variable being examined to be configured.
Dependent Variables
The following dependent properties are available:
Physical Property Token Meaning

TEMPERATURE Temperature in K
PRESSURE Pressure in kPa
VF Vapour fraction
MOLECULARWEIGHT Molecular weight, g/gmol
ZFACTOR Compressibility factor
VOLUME Molar volume, m3/kmol
MASSDENSITY Mass density, kg/m3
ENTHALPY Molar enthalpy, kJ/kmol
ENTROPY Molar entropy, kJ/kmol.K
CP Molar isobaric heat capacity, kJ/kmol.K
CV Molar isochoric heat capacity, kJ/kmol.K
IGENTHALPY Ideal gas heat capacity, kJ/kmol
IGENTROPY Ideal gas entropy, kJ/kmol.K
IGCP Ideal gas isobaric heat capacity, kJ/kmol.K
RESIDUALENTHALPY Residual molar enthalpy, kJ/kmol
RESIDUALENTROPY Residual molar entropy, kJ/kmol.K
RESIDUALCP Residual isobaric heat capacity, kJ/kmol.K
RESIDUALCV Residual isochoric heat capacity, kJ/kmol.K
VISCOSITY Dynamic viscosity, Pa.s
THERMALCONDUCTIVITY Thermal conductivity, W/m.K
SURFACETENSION Surface tension, M/m
SPEEDOFSOUND Speed of sound, m/s
ISOCOMPRESSIBILITY Isothermal compressibility, 1/kPa
DPDVT
IGFORMATION Ideal gas enthalpy of formation, kJ/kmol

IGGIBBS Ideal gas Gibbs free energy of formation, kJ/kmol
MECHANICALZ Mechanical critical compressibility factor.
DVDTP Coefficient of thermal expansion,
1/K
PH pH
STDLIQDENSITY Standard liquid density, kg/m3

STDLIQVOLUME Standard molar volume, m3/kmol
KINEMATICVISCOSITY Kinematic Viscosity, M2/s
Phase
Pull down menu that sets which phase the dependent variables are recorded for.
Z-Variable
Shows the list of added dependent variables. Click the Add/Remove button to bring up the following form.
The > and < buttons add or remove the selected properties and the >> and << button will add or remove all of
the available properties.
Plot(Tab)
Shows a plot of the physical property data.
Table(Tab)
Tabular form of results shown in Plot.
Property Table Example

In this example, the property table will be used to investigate the effect temperature and pressure have on sev-
eral dependent properties of a equimolar nitrogen and carbon dioxide mixture. Start a new VMGSim case and
select an Advanced_Peng-Robinson property package with nitrogen and carbon dioxide as components.
Create a PropertyTable unit operation, change the unit set to Field units and specify the In port as shown
below.
Click on the Variables tab and select Temperature as the X-Variable, and select Pressure as the Y-Variable.
Set the temperature to range from 32 to 212 °F with 20 points and set the pressure to range from 14.7 to 1000
psia with 5 points.
Now add the thermal conductivity and mass density for the vapour phase to the dependent property list. Select
VAPOR r from the phase pull down menu and Click the Add/Remove button to select
THERMALCONDUCTIVITY and MASSDENSITY from the available properties list clicking the > button to
added them to the show properties list.
The Variables Tab will appear as below:
Now click on the Plot tab to see the results of the calculations.
You can also see the results by clicking on the Table tab.
Pyschrometric
Psychrometric
Main Flowsheet
PFD Stencil
Examples Flowsheet Tools\Information Operations\Psychrometric.vmp
General
The psychrometric operation provides a convenient means to saturate a dry process stream to the desired rel-
ative humidity, humidity ratio, or water content. It will also calculate a fully saturated stream and its humidity ratio
and water content. Alternatively, the psychrometric operation will calculate the relative humidity, humidity ratio,
and water content of a fully defined partially saturated process stream.
By clicking the Schematic / Connection Node you can view a schematic diagram and connections/
Summary(Tab)
Main Data
Contains calculated and specified values pertinent to the Psychrometric operation as shown discussed below:
Process Relative Humidity

The calculated or desired ProcessAir relative humidity (fraction of saturated water content) defined as the par-
tial pressure of water at ProcessAir conditions divided by the vapor pressure of water at the system tem-
perature. This value is estimated by dividing the partial pressure of water at ProcessAir conditions by the partial
pressure of water at Saturated conditions. This assumption implies that the vapor pressure of water can be
estimated by Raoult’s law and that water is the only condensable component in the system.
Process Humidity Ratio

The calculated or desired ProcessAir humidity ratio (mass water/mass of bone dry air).
Process Water Content

The calculated or desired ProcessAir water content (mass water/total StdGasVol)
Saturated Humidity Ratio

Calculated SaturatedAir humidity ratio (mass water/mass of bone dry air).
Saturated Water Content

Calculated SaturatedAir water content (mass water/total StdGasVol)
Material
Note: That although the material port names refer to Air and Water, the psychrometric operation will also work
with other gas/liquids systems.
DryAir
The Material Port information for the dry air to be saturated. If you wish to calculate the ProcessAir and Sat-
uratedAir Ports, the DryAir stream must be fully defined and free of the compound it is to be saturated with.
Either the ProcessRelativeHumidity or ProcessHumidityRatio should be specified. With this set of inputs, the
specified temperature and pressure of the DryAir Port will be applied to the ProcessAir and SaturatedAir Ports.
Water
The Material port information for the liquid feed that is to be used to saturate the DryAir port. Only a composition
is required.
ProcessAir
The Material Port information for the partially saturated DryAir Port. If it is desired to have the psychrometric
operation calculate the ProcessRelativeHumidity and the ProcessHumidityRatio based on the ProcessAir con-
ditions, it must be fully specified and the saturation compound must be specified in the Water Port by setting the
fractional composition at “1”.
SaturatedAir
The Material Port information for the fully saturated DryAir Port.
Equilibrium Results
View the equilibrium phase results for the port selected in the pull down menu.
Psychrometric Example
The following example illustrates how the Psychrometric unit operation can be used to partially saturate a dry
process stream and to determine the relative humidity of a partially saturated process stream.
Start a new VMGSim project and using the Advanced_Peng_Robinson property package add the following
compounds: Oxygen, Nitrogen and Water. Switch the unit set to Field, by clicking the unit set dropdown which
is located near the top, right corner of the VMGSim program view. . Create two streams and specify them as
shown in the table below.
Name Dry Air Process Air

Oxygen mole fraction 0.21 .20448
Nitrogen mole fraction 0.79 0.76924
Add two psychrometric operations, connect the Dry Air steam to the DryAir port of one and connect the Pro-
cess Air stream to the ProcessAir port of the other as shown below.
Open PSY1 and specify it as shown below to determine the water content of the Dry Air stream given a input rel-
ative humidity of 0.5 (50%).
Now open PSY2 and specify it as shown below to determine the humidity ratio and relative humidity of the Pro-
cess Air stream.
Pump
Pump
Main Flow sheet
PFD Stencil
Examples Rotating Equipment\Pump.vmp
General
The pump unit operation models real pump behaviour by allowing either a fixed efficiency to be set or by using a
set of user defined performance curves.
Summary (Tab)
Design
Machine Type
Select Generic or Reciprocating model. The reciprocating pump model simulates performance based on recip-
rocating pump geometry.
Main Data
cified of calculated.
InQ
The energy stream into the pump
DeltaP
The pressure rise over the pump.
Efficiency
The efficiency of the pump.
Speed
The rotation speed of the pump.
Head
The head provided by the pump.
Reciprocating Data
The Reciprocating Data frame is available when the Reciprocating model is selected. Pump geometry must be
fully specified.
Cylinder Bore
Cylinder Stroke
Displacement
Cylinder Clearance
Design Speed
Unloader Clearance
Stroke Efficiency
Material
nected Stream/UnitOp displays the streams or units attached to the inlet and outlet of the pump.
Curves (Tab)
Pump curves characterize the pump performance (head vs. flow and efficiency vs. flow) at different speeds.
User defined pump performance curves are managed here, as shown below. This tab is only available when
the Generic pump Machine Type is selected.
Settings
Flow Basis
Calc Type
tropic.
Use Flow Curves


Curves
speed.
Add
Delete
Speed
The pump's rotational speed during the collection of performance data.
Edit
modifying the data.
Plot (Tab)
The Plot Tab allows the user to view the performance curve for a given speed selected from the Curves Tab, as
shown below.
Plot Window
window occupy the entire Plot tab and cause the plot controls to disappear. To make the plot control reappear,
right click on the Plot window. To zoom into section of the plot, click the Plot window and hold the left mouse but-
ton down while dragging the mouse to form a zoom window. Press the Esc key to unzoom.
Plot Control
Check Boxes
Allows several basic plot window configuration items to be toggled. For example, the user can switch between
a Black & White or Color plot or switch the y axis between a linear or logarithmic scale by selecting/unselecting
the appropriate check boxes.
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Settings (Tab)
Settings for the pump can be specified within this tab.
Do Isentropic Calcs
Enables isentropic calculations in the pump. This setting is recommended when dealing with supercritical liquid-
like fluids and the density change is greater than 10%.
Ignore Warnings
Set to ignore the pump's warning messages. Any warning message text will still be displayed in the status bar,
but the unit operation will not be highlighted as having a warning.
Pump Example
In this example the Pump unit operation will be used to increase the pressure of a water stream at atmospheric
conditions to 500 kPa. Create a new VMGSim project and select the Advanced_Peng-Robinson property pack-
age and add water as a component. Switch the unit set to SI. Create a Pump and specify the In port as shown
below.
Specify the efficiency of the pump at 75% and an Out port pressure of 500 kPa.
With the efficiency and outlet pressure the pump can solve.
Pump Dynamics
Pump - Dynamics
Main Flow sheet
PFD Stencil
General
Pumps require three specification to determine performance. These are typically speed/power/torque, head
and efficiency. The recommended combination is "Use Simple Curve" (which counts as two specs) and either
Speed or Torque In (specify on Shaft tab).
Summary(Tab) – Centrifugal / Axial

Design
Machine Type
Select Centrifugal or Axial.
Use Simple Curve

Enables the design point /simple curve calculations. See the curves section below for more details.
Main Data
Switch
Switch the pump on or off. This should be used only if there is no driver (i.e. motor or turbine) connected to the
pump. You should also specify one of [InQ, Speed, Torque In].
InQ
Delta P
Pressure Ratio
Efficiency
The ratio of the isentropic work required to pump the fluid to the actual work done on the fluid.
Speed
Head
The ideal (isentropic) pumping work per unit mass of fluid. Normally expressed as (ft-lbf)/lb (ft) or (m-kgf)/kg
(m).
Use Ref. Phase Dens

Select which density to use for calculating delta P from head. A pump may become “vapor locked”, and not be
able to generate enough delta P to establish flow. Selecting “Liquid” (the default), will prevent this problem, but
will overestimate the delta P if vapor is present in the fluid. Selecting “All” will give the correct conversion even
when there is vapor present in the pump suction.
Max Temp Out

Advanced
In Case of viscous fluids, corrections for pump performance in terms of head correction factor and efficiency cor-
rection factor can be specified here. These values can be found in "ANSI HI 9.6.7-2004, “Effects of Liquid Vis-
cosity on Rotodynamic (Centrifugal and Vertical) Pump Performance”
Curves Visc. Correction

Correction to head and efficiency curves for fluid viscosity.
Head Visc. Correction

Correction to head to account for fluid viscosity losses.
Eff Visc. Correction

Correction to efficiency to account for fluid viscosity losses.
Max Temp Out

instead.
Design Speed
Design Head
Design Flow
Design Efficiency
Design Power
Design Torque
Material Summary

Design
A reciprocating pump is a positive displacement device. Each rotation on the shaft causes the piston chamber
to fill with fluid from the inlet and then discharge to the outlet. This is a rating model, and the cylinder geometry is
required information.
Machine Type
Select Reciprocating.
Use Simple Curve

Compressor curves cannot be used with a reciprocating model.

InQ
Delta P
Pressure Ratio
Efficiency (Calculated)
The ratio of the isentropic work required to pump the fluid to the actual work done on the fluid. This is calculated
from the stroke efficiency and the clearances.
Speed
Head
(m).
Use Ref. Phase Dens

Reciprocating Data
Cylinder Bore
Cylinder Stroke
Displacement
Area * Cylinder Stroke * cycles/time).
Specify two out of (Cylinder Bore, Cylinder Stroke, Displacement).
Cylinder Clearance
Design Speed
Unloader Clearance
Stroke Efficiency
clearance and unloader clearance. The calculated overall efficiency is reported in the advanced section.

Multiple Stages
Multiple stages can be modeled using separate pump stages, and then connecting them on the same shaft (see
Shaft tab below). Similarly, for higher fidelity, Head End and Crank End cylinders can be modeled separately.
Intercoolers can be modeled using a cooler or heat exchange unit operation.
Summary(Tab) – Screw
Design
A screw pump is a positive displacement device. Each rotation of the screw(s), displaces a constant amount of
fluid from the suction to the discharge. Because of the pressure gradient, there is a small amount of leakage
past the clearances which reduces efficiency.
Machine Type
Select Screw. Data for pump curves is not used for screw pumps.
Use Simple Curve

Simple curves are not used with Screw Pumps.
Main Data
InQ
Delta P
Pressure Ratio
Efficiency
The ratio of the isentropic work required to pump the fluid to the actual work done on the fluid.
Speed
Head
(m).
Use Ref. Phase Dens

Screw Pump Data
A screw pump is a positive displacement machine. The flow through the machine is primarily a function of the
machine size and the speed. The flow is reduced by the slip flow, a backward flow because of clearances. The
formula for flow is
The power is the power to pump the design flow to the discharge pressure (including slip flow) plus the power
dissipation because of fluid shear:
Design Speed
Design Flow
Design Delta P
The pressure rise at the normal operating point.
Design Slip Flow

The slip or leakage flow. Default is 5% of design flow.
Reference Viscosity / Ref Viscosity (SSU)

The reference viscosity used for calculating the slip flow and the shear work. You can enter either value and the
other will be back-calculated.
Slip dP Exponent
The exponent for the pressure ratio term in the slip flow. Default is 0.5.
Slip Visc Exponent

The exponent for the viscosity ratio term in the slip flow. Default is -0.5.
Design Shear Power

The shear power at design conditions. If this value is not specified, it is back-calculated from the design effi-
ciency.
Shear Power Speed Exp

The exponent for the pressure ratio term is the slip flow. Default is 2.5.
Shear Power Visc Exp

The exponent for the pressure ratio term is the slip flow. Default is 0.17.
Design Efficiency
The ratio of ideal compression work to total work at the design point.
Design Power
The total compression power at the design point.
Material Summary
Material (Tab)
Curves (Tab)
Detailed Curves
Pump curves characterize the pump performance (head vs. flow and efficiency vs. flow) at different speeds.
Curve Flow Basis

Select between volume flow and mass flow as the flow basis for the curves
Calc Type
This specifies whether the head and efficiency curves are adiabatic or polytropic.
Use Flow Curves
Use the supplied curve(s) to calculate pump performance. More than one kind of curve can be entered, but only
one kind can be active at any time.

Efficiency curves are specified together with head curves. The user can also opt not to use efficiency curves,
and simply specify a constant efficiency instead. This is done by unchecking the Use Efficiency box.
Note that the efficiency at zero flow must be zero. If a zero point is not specified, the simulator will internally add
a zero point to the efficiency curve.
Active
to run.
Plot (Tab)
Curve Type
User Input
Curve Sets
Curves
Show Current
Regressed
Map
sistency.

Design Speed
Design Head
Design Flow
Plot Window
Plot control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Shaft (Tab)
A pump can be simulated using either a fixed or variable speed. Also, one can link multiple pump stages on the
same shaft, together possibly also with an expander, steam turbine or electric motor. Typically, in these cases,
one will also specify the rotational inertia, so that the speed dynamics can be modeled.
Inertia
Inertial Mass
Radius of Gyration
Inertia
Shaft
on a single shaft.
Upstream Unit Op
Gearbox Ratio
InQ
Work applied directly to this stage.
Shaft Power In
Power To Fluid
Shaft Power Out

Mechanical Loss
Torque To Fluid
Shaft Torque In
Shaft Torque Out

Friction


Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Level
Efficiency
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type

e.g. a separator
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Reactors
Continuous Catalytic Reformer (CCR)
Continuous Catalytic Reformer (CCR)
Main Flowsheet
PFD Stencil
Examples Reactors\CCR(PIONA).vmp
Reactors\CCR-Platforming(Pure Components).vmp
General
The continuously catalytic reformer (CCR) allows predictive trending of a matched moving or fixed bed catalytic
aromatic reformer. This reactor unit is not considered part of the generally supported operations within
VMGSim and requires a special license option. CCR is one of the key processes in oil refineries for octane
improvement and production of aromatic feedstock for petrochemical industries by converting naphthas into
high-octane liquid products called reformate. These products are premium blending stocks for high-octane gas-
oline. The desired reforming reactions are isomerization to convert n- paraffins to iso- paraffins, dehyd-
rogenation to convert naphthenes and dehydrogenation/cyclization to convert n-paraffin to aromatics.The CCR
reactor contains three or four bed stages, where endothermic reforming reactions occur. The furnace with inter-
mediate heaters provide required heat. The overall model involves both furnace preheating coil sections and
catalyst bed vessel calculations for multi-stage units including optional ranges of kinetic based reaction slates.
Catalyst deactivation is also tracked in this unit allowing for service time run predictions and optimal operational
conditions to be studies. The complete summary form is shown below.
Note: Furnace side material should be combusted flue gas entering at flame conditions.
Schematic
The schematic frame at the top of the summary form shows the possible inlet and outlet material ports available
for the operation.
Summary
Summary tab contains Main Data, Catalyst Properties, Results and Material ports frames. In this tab, main
CCR unit specifications need to be entered and general results are provided.
Main Data
The main data frame represents general information of the CCR layout geometry and process side reaction
model. The signal inputs are listed below.
Reaction Model
This parameter specifies how heavy the hydrocarbon species are in kinetic reactions taking place within the unit
operation’s internal calculations.
The PIONA based reaction models "Naphtha (< C20)", "Light Gas Oil (< C36)", and "Middle Distillate (< C50)"
should be selected in typical situations where feeds such as naphtha or gas oil are encountered. In all situations
a generic internal kinetic scheme is used and based off component atomic numbers and their chemical families
selected in the flowsheet. General kinetic pathways are generated for the internal kinetic pathways and follow a
grid configuration based on carbon number and molecular structures as shows below.
The (< C#) after each of the heavier feed reaction model names represents the heaviest carbon number spe-
cies it will consider within its kinetic pathways reactions. Due to propagation reactions that occur within unit the
feed's heaviest carbon number component should be slightly less than the maximum reaction carbon number
being considered.
RON Filter
This variable determines the lowest carbon number based on which Research Octane Number (RON) is cal-
culated and carbon numbers lower than that one are not considered in RON calculation.
Bed Type
Either a fixed or moving catalyst bed can be selected here while radial flow option is available for both bed
types. This selection will affect internal unit calculations such as deactivation profiles and pressure drop. When
the fixed option is selected the Service Time variable will also be available to give the current service time of the
unit for catalyst deactivation considerations.
If either a fixed or moving radial bed is selected, Pipe Diameter will be added to vessel geometry input in Stage
Vessel Detail frame in Stage Detail tab.
In fixed catalyst bed mode, the flow rate input for the catalyst material port will not affect results as with the mov-
ing catalyst bed option. For moving beds, the catalystIn port flow rate will set the internal circulation rate.
Service Time
This variable is only exposed and used for the Fixed Catalyst Bed Type option. The current service time of the
unit for when calculation are desired should be entered here. For a fresh catalyst bed the service time should be
set to zero.
Unit Stages
This signal port gives the total number of stages in the CCR unit. An extra stage should be added whenever
there is any change in catalyst bed diameters or a preheating section is introduced. This input value will determ-
ine the number of stage input columns available in the Stage Detail tab.
Vessel Material
Different material for the catalyst bed vessel walls can be input in this parameter. Thermal conductivity
provided by literature for the chosen material will be taken into account for internal heat transfer calculations
(Kern, 1950) (Faghri, 1995).
Roughness Factor
The roughness factor inside the catalyst bed can be entered in this signal port. This entry can be used to match
pressure drops across the process side.
Furnace Data
The furnace data required for the simplified preheat option within the CCR is meant to allow the model to focus
on the catalyst bed sections. At the same time some basic inputs are still required for maintaining energy,
momentum and mass balances for resulting process condition calculations.
Furnace DP
This value is taken as the pressure drop across the FurnaceIn to FurnaceOut material ports in the CCR unit.
Preheat Length
This value will set the length of the simplified preheat sections in the profile results for the CCR based on the
height of the catalyst beds. A value below 1% of the catalyst bed heights is not allowed and this value should not
affect final process results of the units catalyst beds.
Ambient Data
The ambient heat transfer of the overall CCR unit requires information about the surrounding environment. The
following variables allow the ambient heat flux to be calculated and applied to the catalyst beds. No ambient
heat loss is assumed in the preheat furnace section and any considerations of this should be completed in the
flowsheet level.
Ambient Temp
The average outer temperature that the catalyst bed vessel walls are exposed to should be input here. There
are no limitations to whether the ambient temperature input causes energy to be added or lost to the overall
unit.
Wind Speed
Increased outer ambient heat transfer will occur with forced convection versus natural convection. These situ-
ations can be modeled by entering a value above zero here.
Vessel Emissivity
The ambient heat transfer caused by radiant heat flux is calculated with the emissivity of the catalyst bed ves-
sels being given here. Values for different metals and temperatures can be found through many sources (Kern,
1950).
Catalyst Properties
This frame's variables are related to the catalyst data in the CCR unit's catalyst beds. These inputs affect the
process performance of the unit and the available variables to customize the unit to best match plant conditions
such as catalyst properties, multipliers controlling catalyst deactivation and kinetics tuning variables controlling
reactions that happen on the catalyst
Catalyst Shape
Packing
The XXX Loose and XXX Tight are two extreme packing option available in order to adjust the pressure drop of
catalyst packed bed.
Diameter
Aspect Ratio
End Temperature
The end of run temperatures given for the CCR catalyst being used should be input here. These values will help
determine the sintering deactivation rates of the catalyst.
Catalyst Density
The catalyst density should be input here and will be used along with process conditions to calculate the overall
Bed Density. The actual density of the catalyst input material port will not be used and instead this value should
be input to match catalyst data. The Catalyst density is calculated by dividing the reactor bulk density by bed
void fraction.
Catalyst Metal
The type of catalyst selected has impact on catalyst deactivation and consequently it will alter performance of
the overall CCR unit. The catalyst type is broken into both metal type and support type and is considered bi-
functional. Among all reforming reactions, dehydrogenation, hydrogenolysis happen on the metal sites and
cracking, isomerization and cyclization happen on the acid sites of the catalyst. The catalyst metal types avail-
able include combinations of Pt, Re, Ge, Sn, Ir.
Catalyst Support
The catalyst support types include Al2O3, MgO, and SiO2.
Catalyst Content
Catalyst metal composition content (Pt, Re, Ge, Sn, Ir) wt% is generally predicted by the catalyst type chosen
and internal values are shown in these variables.
Results
Overall results from the furnace cracking reactor are provided within this area. All results are provided in signal
ports that can be connected to other flow sheet operations, including Controller unit operations.
Ambient Heat Loss

Energy loss to the environment from the CCR catalyst bed vessels is shown here. This value represents the
total energy lost across all stages.
Initial Activity
This value shows the activity of the catalyst at early stages. This value is a combination of three types of deac-
tivations: coking, sintering and poisoning on both metal and acid sites. For moving catalyst bed type this value is
that of the catalyst entering that first stage. For fixed catalyst bed type this value is the average activity of the
catalyst within all bed locations at the beginning of service time.
Final Activity
This value shows the activity of the catalyst based on deactivation rates and the initial activity. This value is a
combination of three types of deactivations: coking, sintering and poisoning on both metal and acid sites. For
moving ccatalyst bed type this value is that of the catalyst leaving that last stage. For fixed catalyst bed type this
value is the average activity of the catalyst within all bed locations at the end of service time.
Feed RON
The Octane number represents the ability of gasoline to resist detonation or knocking during the combustion of
compressed air/gasoline mixture. Research Octane Number (RON) specifically represents the engine per-
formance at low speed volume and shows the percentage of iso-octane in blending with n-heptane that equals
the knocking performance of the gasoline being tested. RON is increased markedly with the degree of branch-
ing. Highly branched paraffin and olefin and aromatic result in octane number enhancement. This result vari-
able gives the RON value of the feed entering the CCR unit in the FeedIn material port.
Product RON
This result variable give the RON value of the product entering the CCR unit in the ProductOut material port.
Spec Product RON

When you select this option, the Product RON variable can be specified and the unit will adjust inner stage heat-
ing temperatures to match the given value. Caution should be taken that some RON values cannot be achieved
depending on the quality of feedstock. Any offset in an inner stage temperature will be maintained while the unit
solves with this option.
Product BTEX wt
The product's C6 to C8 aromatic content mass percent of dry basis product leaving the last stage of the CCR
unit is provided here.
Product H2 wt
The product's hydrogen content mass percent of dry basis product leaving the last stage of the CCR unit is
provided here.
WAIT
Weight average inlet temperature is the summation of the product of the fraction of catalyst in each reactor
stage multiplied by the inlet temperature of that stage.
Bed Void
O'Neill, 2005).
Catalyst Weight
The weight of the catalyst as determined through the Catalyst Density, Reactor Volume, and Bed Void fraction
is given here. If a catalyst weight is known usually the Packing specified or other catalyst geometries can be
altered to give a Bed Void fraction that will match catalyst weight. This is the suggested method of tuning as usu-
ally in these cases the reactor volume and catalyst density values are better known.
Material Ports
FeedIn
This material inlet represents the feed of hydrocarbon material entering the first stage of the CCR unit.
CatalystIn
This material inlet represents the catalyst flow rates entering the inlet of the CCR unit when Moving catalyst
Bed Type is selected.
ProductOut
This material outlet port contains the process material leaving the CCR unit. Any material deposited on the cata-
lyst will not be included in this outlet port.
CatalystOut
This material outlet port has the catalyst material leaving the CCR unit. This material will also include any coke,
sulfur, or metal accumulation on the catalyst that will not leave in the product.
FurnaceIn
Hot flue gas combusted within a burner to heat the preheat tubes should be entered here. No further reactions
will be calculated for the flue gas furnace side within the CCR operation.
FurnaceOut
Cooled flue gas already passed over the preheat tube sections will exit from this material port. Care should be
taken that this material’s temperature does not drop too greatly from the resulting overall CCR’s heat transfer.
Stage Detail
The details of any stages within the CCR unit can be specified here. These inputs include both preheat and cata-
lyst bed geometry sections. An additional input column will be automatically created for each stage input
through the Unit Stages input variable. The ordering of the stages goes from the feed entering stage 1 first and
exiting the highest stage last.
Stage Preheat Detail

Include Preheat
This check box option allows preheat sections to be removed from the CCR unit. For special preheat situations
prior to entering this unit the first Include preheat should be deactivated and the preheat section can be
modeled separately in the flowsheet.
Preheat Outlet T
This value will be the set point temperature for the material entering the catalyst bed for the stage from the pre-
heat section. For the simplified preheat option the heat flux through the tube length will be adjusted to best
match this outlet set point temperature.
Preheat DP
The pressure drop excepted across each stage's preheat tube coil should be input here. The pressure drop
across the tube length will be assumed linear.
Stage Vessel Detail

Height
The height of each catalyst bed in the CCR unit is input here.
Pipe Diameter
In case that Radial Fixed or Moving bed is selected, pipe diameter should be entered. This variable is the dia-
meter of centeral inner pipe inside the catalyst bed in the CCR unit.
Inside Diameter
This variable is the inner diameter of each catalyst bed in the CCR unit.
Outer Diameter
This variable is the outer diameter of each catalyst bed in the CCR unit. Heat flux calculations for ambient heat
loss calculations will be based off the thickness and material type selected for the vessel walls.
Stage Results Detail

Ambient Q
These values are the total ambient energy exchanged in the catalyst bed sections of each stage. Negative val-
ues are defined as heat lost from the unit.
Preheat Q
These values are the total furnace energy exchanged in the preheat furnace sections of each stage. Positive val-
ues are defined as heat gained to the process side.
Conversion
The conversion achieved in each stage is reported here. This value is calculated as the conversion of any mater-
ial flow rates into the stage as compared with material flow rates exite of the stage.
Process Outlet T
The exiting temperature of the process material from each of the catalyst bed stages is given here.
Catalyst Outlet T
The exiting temperature of the catalyst material from each of the catalyst bed stages is given here.
Outlet P
This value is the pressure at the outlet of each stage's catalyst bed.
Vessel DP
This value gives the pressure drop calculated across each of the catalyst bed stages. The pressure drop cor-
relation used for the catalyst bed sections is the standard Ergun equation (Ergun, 1952).
Vessel Volume
This value is the volume of each stage's catalyst bed volume and is calculated using the inner diameter and bed
height specified for each stage in the CCR.
Catalyst Weight
Similar to the total catalyst weight this stage weight of catalyst is determined through the Catalyst Density,
Reactor Volume, and Bed Void fraction for each stage.
Catalyst Activity
This value shows the activity of the catalyst based on deactivation rates and the initial activity. For Moving Cata-
lyst Bed Type this value is that of the catalyst leaving each stage. For Fixed Catalyst Bed Type this value is the
average activity of the catalyst within the single stage.
WHSV
Weight hourly space velocity is total mass feed flow rate to total catalyst weight ratio per bed.
LHSV
Liquid hourly space velocity is total volumetric feed flow rate to total catalyst volume ratio per bed.
Catalyst Detail
This tab contains all parameters related to CCR's catalyst, which control CCR performance such as catalyst
properties, multipliers controlling catalyst deactivation and kinetics tuning variables controlling reactions that
happen on the catalyst.
Catalyst Properties
See the Summary section, Catalyst Properties.
Deactivation Data
Deactivation of catalytic reforming catalyst can happen through three different mechanisms: poisoning, sin-
tering and coking. The feedstock impurities such as nitrogen and sulfur compounds and heavy metals like As,
Pb cause catalyst poisoning. Chemisorption of poisonous species on catalyst sites lead to blocking of sites for
catalytic reactions. The loss of activity in acid side occurs by coking and the loss of activity in metal side is
caused by coking and sintering. Coking is the loss of active surface area of catalyst due to blockage of sites with
coke, which is produced by decomposition or condensation of hydrocarbons on catalyst surfaces and typically
consists of polymerized heavy hydrocarbons. Sintering is the loss of catalyst active surface due to crystallite
growth (sintering of metal) and due to pore collapse(sintering of support) Sintering processes generally take
place at high reaction temperatures (T>500◦C) and are generally accelerated by the presence of water vapor.
End temperature affects sintering deactivation and typically is less than the entering temperature to the stages.
(B. Viswanathan et. al. 2002 and C. H. Bartholomew 2001)
Mult Poison Deact

This value is a multiplier to adjust catalyst poisoning deactivation.
Mult Sinter Deact

This value is a multiplier to adjust catalyst sintering deactivation.
Mult Coke Deact

This value is a multiplier to adjust catalyst coking deactivation.
Initial Metal/Acid Poisoning Act

This value shows fresh metal/acid site activity due to poisoning.
Initial Metal/Acid Sintering Act

This value shows fresh metal/acid site activity due to sintering.
Initial Metal/Acid Coking Act

This value shows fresh metal/acid site activity due to coking.
Deactivation Results
Catalyst Cl wt
This value shows the amount of chlorine added catalyst to reduce coke formation.
Initial Activity
tivations: coking, sintering and poisoning on both metal and acid sites. For moving catalyst bed Type this value
is that of the catalyst entering that first stage. For fixed catalyst bed Type this value is the average activity of the
Final Activity
moving catalyst bed Type this value is that of the catalyst leaving that last stage. For fixed catalyst bed Type this
Final Metal/Acid Poisoning Act

This value shows final metal/acid site activity due to poisoning.
Final Metal/Acid Sintering Act

These values show final metal/acid site activity due to sintering.
Final Metal/Acid Coking Act

These values show final metal/acid site activity due to coking.
Catalyst Fwd/Back Kinetics

The ability to tune the reaction rates of different pathways can be achieved here through these variables.
Please see "PIONA Reaction Kinetics Pathways" section of manual for details about Catalyst Fwd/Back
Kinetics and related Catalytic tuning variables.
Catalyst General Kinetics

Adsorb Acid = "Adsorption rates onto acid catalyst sites and associated reactions”. Changing this variable
can control Cracking/Isomerization reactions.
Adsorb Metal = "Adsorption rates onto metal catalyst sites and associated reactions”. Changing this variable
can control Hydrogenation/Dehydrogenation reactions.
Kinetic App T = "Approach temperature for internal reaction kinetics”. Negative reduction of this variable can
supress cracking reactions
Light Crack Distribution = “Forward cracking distribution spread coefficient of larger chain”. This variable
has impact on light species creation"
H2Order = "Reaction order multiplier of hydrogen for shift and cracking reactions"
Carbon Formation= “Carbon formation rate due to all species with different structure”. This variable can con-
trol coking deactivation.
Light Ends
Weighting factors for C1-C4 PION structure group component product yields, while maintaining the light end's
overall mass yield.
Naphtha
Detailed group distribution tuning for higher and lower branched isoparaffin and aromatic components within
the same carbon number group.
Note: To adjust reactor performance and results with industrial plant data, Model Regression in the View drop
down menu needs to be used. To use Model Regression, known plant data like component yields, Tout and
other performance results should be entered as experimental variables in the Model Regression and kinetic tun-
ing variables and other multiplier like deactivation multipliers have to be entered as regressed variables. For
more detail about Model regression please see Model Regression section in the manual. Among all available
kinetic tuning variables, most common ones used in regression studies with plant data for CCR are PIONA
Cracking, PIONA Propagarion, I Cracking, P->I, P->O, O->N, N->A, Adsorb Acid, Adsorb Metal and Kinetic
App T.
Yields/Settings
This tab includes parameters controlling numerical settings, speed up mode and parameters controlling per-
formance of the CCR unit (thermal reaction pathways and yields) such as PIONA kinetics tuning variables.
PIONA Structure groups and Heteroatomic species considered in the reaction pathways applied can also be
customized here.
General Settings
Reaction Version
Default reaction kinetics are always being improved upon as new plant data becomes available. This option
allows either the latest kinetics to be used, or for older default values to be kept in situations where kinetic tuning
has been completed for built simulation models and default kinetics want to be maintained.
For heavier feed situations with PIONA based reaction kinetics the + sign after the reaction model version
determines whether detailed group distributions apply to the reactions. Detailed group distributions will use
refractive index of components to determine further branched versus cyclic structures within the same carbon
number and structure group (e.g. Allows specific reaction yield calculations for 1-Butene versus 2-Butene).
Profile Segments
Stiff Tolerance
This tolerance is used in the default stiff integrator used for any generic heavy feed reaction models.
Conv HTC Amb/Cat

These values can be adjusted for tuning of the convective heat transfer terms calculated internally within the
unit. The "Vap" and "Liq" values are multiplied by the inner side convective terms for the liquid and vapor phase
regions respectively. The "Out" value is multiplied by the outer side convective term to ambient conditions.
These terms do not effect radiant heat transfer contributions directly within the heat transfer calculations.
All Vapor Phase

solution times.
PIONA Inclusion
Disable Heavy Reactions(Rxns)
This check box will disable any generic heavy feed reaction models being used in the unit. This is generally used
for non-reactive situations like lower temperature feeds, or non-hydrocarbon feed inputs.
PIONA Lumping
None(spd) lumping options are major ways to speed up PIONA reactors. "(spd)" options are a potential feature
to speed up PIONA reactors. The methods with "(spd)" suffixed use an explicit style solver with automated alter-
ations to the estimated equation derivatives to prevent errors in bounded results. Lumped options are used to
“lump” PIONA carbon number groups together in the solver matrix therefore reducing size for solution. This
option can introduce some error (usually around 2-4%) so results should be confirmed when activated and
potentially re-tuned with the available rector parameters for better accuracy. Speedup opinions have built-in
minimum segment checks to help guide users. Best speedup results are found in large component list Flow-
sheets combined with the heavy reaction model options. The way None, Light, Medium, Heavy lumping are
defined is shown below.
P/I/O/N/A
These check boxes determine the structural resolution for the internal kinetic reactions. Usually these options
should mimic the selections made in the PIONA thermo environment basis when the Flowsheet's component
slate is created. For any structural options removed the components will be lumped into the closest available
structure (e.g. The removal of the "I" option will result in all iso-Paraffin components being labeled as Paraffin
components).
Atomic Inclusion
O/S/N/V/Fe/Ni
These check boxes determine the hetroatomic species to be considered within the general PIONA reaction kin-
etic pathways. The "O" check box requires the inclusion of CO and CO2 to the component list. All other check
boxes should only be selected when PIONA slate components have these family type included. These other
atomic inclusion check boxes will also require specific components be available (e.g. S requires H2S, N
requires NH3, V/Fe/Ni requires the solid V/Fe/Ni components).
PIONA Kinetics
The ability to tune the reaction rates of different pathways can be achieved here through these variables. The
fractional multipliers "A" and activation energy multipliers "E" variables visible can be toggled through use of the
"Display E Inputs" check box.
Please see "PIONA Reaction Kinetics Pathways" section of manual for details about PIONA Fwd/Back
Kinetics and related Thermal tuning variables.
CCR Example 1 PIONA

Overview
This example models catalytic naphtha reformer. The flow sheet example as shown below follows that
described in the paper by Gyngazova et al(2011).
Property Package and Component Selection

Select the Refinery APR (Advanced Peng-Robinson) property package and add components as shown in the
image below. These components are necessary to model the “Flue Gas” and reformer calculations
Components
WATER, HYDROGEN, OXYGEN, NITROGEN, HYDROGEN SULFIDE, SULFUR, CARBON, CARBON
MONOXIDE, CARBON DIOXIDE, METHANE, ETHANE, PROPANE, n-BUTANE, n-PENTANE, iso-
BUTANE,- iso-PENTANE, ETHYLENE, PROPYLENE, iso-BUTENE, 1-BUTTENE, trans-2-BUTTENE, cis-
2-BUTTENE, 1-PENTENE - ACETYLENE, 1,3-BUTADIENE, CYCLOPENTANE, 1-BUTENE, BENZENE,
TOLUENE
PIONA Slate
The PIONA Slate characterization can be accessed via PIONA Slate from the Thermo Model form. This hydro-
carbon pseudo component characterization technique based on molecular structures of component groups
chosen from the PIONA classification. To create the PIONA pseudo components, the range of carbon numbers
required initial boiling point (IBP) and end boiling point (EBP) from distillation curve data can be entered as
below. PIONA Inclusion check boxes determine the structural resolution for the internal kinetic reactions.
Flow Sheet Setup

The property package can be accepted and the flow sheet environment entered once the components have all
been added. The unit set at this point should be changed to SI if not already so for this example.
A Claus Direct Fired Reheater can be selected and named “Burner” in order to properly model the flue gas for
the pre-heaters. The fuel gas composition entering the burner is as below
Fuel gas composition: Methane = 50 mol%, Hydrogen = 40 mol%, Ethane = 5 mol%, Propane = 3 mol%, iso-
Butane = 1 mol% and n-Butane = 1mol%
and the Oxidant composition is as
Oxygen = 21vol%, Nitrogen = 79vol%
In summary tab of the Burner, the Fuel Gas stream and Oxidant can be selected for Fuel and Air material
streams. For Process stream, water with zero flow rate can be selected. In Main Data, Out Q, Delta P and
Excess O2 should be specified.
To create a material stream, called “Fresh Feed”, an Oil Source is selected. Then Distillation fraction and flow
rate information can be entered from below table of the paper. The density of 723 kg/m3 and H/C mass ratioof
0.16 in summary tab are guess.
This stream is mixed with Recycle Gas, which contains mainly Hydrogen and light hydrocarbon like Methane,
Ethane and Propane.
The mixture, called “Cold Feed”, after passing through an Economizer enters to the reactor which is called ”Hot
Feed”.
A material Stream, called “Catalyst”, can be created with composition of Intersolid = 100mol% and its operating
condition can be entered as below
In Summary tab, Main Data are entered according to feed type, bed type and number of reactors, which are
given in the reference paper. For Catalyst properties, information given in table 4 of the paper are used.
In Stage Detail tab, Preheat Outlet T or stage inlet T is obtained by Fig.11 of the paper.
Stages Vessel Detail are given in Table 4 of the paper. The height of each stage is adjusted in a way that the
given catalyst weight load given in this table can be achieved. The catalyst weight load are brought in the Stage
Results Detail.
Results
Overall reactor performance can now be compared to that of the values provided in the reference paper. Below
is a summary table of the key reactor results. By adjusting tuning parameters in the Settings tab these results
can be matched more directly to the paper's values if desired.
The profiles within the catalytic reformer CCR can also be observed in the Profiles or Plot tabs available in
CCR. Below are the images of the temperature profile for the VMGSim CCR reactor and for the reference
paper.
In the following images, coking activity is compared for the VMGSim CCR reactor and the reference paper.
Reference
Reactor modeling and simulation of moving-bed catalytic reforming process, Maria S. Gyngazova, Anatoliy V.
Kravtsov, Emilia D. Ivanchina, Mikhail V. Korolenko, Nikita V. Chekantsev, Chemical Engineering Journal 176–
177 (2011) 134– 143
CCR Example 2 Pure Components
For the first example, PIONA slate characterization via PIONA Slate from the Thermo Model form is used to cre-
ate the component list, while for the second example, pure components are added from the Thermo Model form
as shown below. The CCR reactor's PIONA kinetics will automatically work with either PIONA hypothetical
components or pure components depending on the model's setup
Full explanation has not been provided for this example.
Conversion Reactor
Conversion Reactor
Main Flow sheet
PFD Stencil
Examples Reactors\ConversionReactor.vmp
General
Conversion reactors are used to provide shortcut material and energy balance models for actual reactors. In a
conversion reactor a series of chemical reactions are specified together with the desired conversion for each
reaction, as well as the order in which the chemical reactions are supposed to happen (if desired). Conversion
reactors can be used to model adiabatic, specified pressure drop or outflow temperature operations.
Note that Conversion Reactors DO NOT check the specified conversion against true thermodynamic equi-
librium and therefore impossible chemical reactions can be specified.
Simultaneous Reactions
The conversion reactor uses a reaction order algorithm as the default setting. This solves the chemical reaction
system in the order that is specified, discussed later. If the Simultaneous Reactions box is checked, this
changes the algorithm to simultaneous reactions. This option tells the conversion reactor algorithm to try to
solve all chemical reactions simultaneously. When you have competing chemical reactions this option will limit
the specified conversion depending on the availability of reactants, without placing any special preference on
any reaction.
Summary(Tab)
Main Data and Configuration
cified or calculated. The configuration tab contains the Split Phases check box. If checked, two outputs will be
seen in the schematic of the conversion reactor, each one containing a different phase of the product. If
unchecked, only one outlet product containing all the phases will come out of the reactor.
Out Q
The energy removed from the reactor.
Delta P
The pressure drop over the reactor.
Material
Shows the connected streams/Unit Ops and the In_Material and Out_Material port information.
Reactions
The Reactions tab is where reactions are added and configured. The reactions tab will initially display an
Add/Edit button and a Copy From... button.
Add/Edit…
Clicking the Add/Edit... button will bring up the following form where reactions can be added or edited.
Adding a Reaction
Type a name in the <New> box to add a reaction, then enter the appropriate stoichiometric coefficients for each
compound in the reaction. Note that VMGSim convention is that Reactants are negative values, products are
positive values and a value can be left blank for any compound that does not take part in a particular reaction.
BaseComp
The compound involved in a particular reaction that will be used as the base for all conversion calculations.
Conversion
The percent conversion of the base component. Note that in the case of multiple reaction the specified con-
version may not be achieved due to competing reactions.
Solution Order
Sets the order in which the reactions are solved (when the Use Reaction Order radio button is selected). The
Solution Order is input as integers starting from 0, where reactions with lower integer numbers have a higher
solution priority. A reaction with a solution order of 0 will have the highest solution priority.
Editing a Reaction
To edit a reaction setting click on the desired parameter and type in a new value. Note that the message box
near the bottom of the form will indicate which reaction is selected.
Result of Adding a Reaction

Once the reactions have been added, pressing OK will take you back to the reactions tab, displaying a stoi-
chiometric coefficient matrix for the reactions as well as the respective abase compound, conversion and solu-
tion order for each reaction.
Copy From…
Click the Copy From... button to bring up the following form, where new reactions can be added by copying
reaction data from other reactors.
Use the first pull down menu to select the reactor that holds the original reaction data. The second pull down
menu can be used to select the specific reaction to copy data from. After you click OK, a new reaction will be
added with the stoichiometric data of the selected reaction. If <Select All> is selected, stoichiometric data for all
of the reactions in the selected reactor will be copied to new reactions in the conversion reactor.
Settings
Another place to choose whether or not the simultaneous reactions algorithm should be used.
Q Exothermic Is Positive
Boolean parameter that sets whether OutQ is positive(checked) or negative(unchecked) for exothermic heat of
reaction.
Phase Settings
Liquid Ports is the number of liquid outlet ports. A solid outlet port maybe added by checking the Add Solid Port
box.
Conversion Reactor Example

In this example we will model the incomplete combustion of n-Octane using the following reactions:
Start a new VMGSim case. Add an Advanced_Peng_Robinson property package with n-Octane, Oxygen,
Nitrogen, Carbon Dioxide, Carbon Monoxide and Water as components. Switch the unit set to SI. Create two
material streams, Reactants and Products, and specify Reactants as shown below.
Create a Conversion Reactor and attach the streams as shown below.
Click on the Reactions tab and specify the complete and incomplete combustion reactions by clicking the
Add/Edit button and configuring the Reaction data form as shown below.
Now click on the Summary tab and specify the pressure drop to be 5 kPa and the OutQ port value to zero to rep-
resent adiabatic operation. The Conversion Reactor should now have enough information to solve completely
CSTR
CSTR
Main Flow sheet
PFD Stencil
Examples Reactors\CSTR1.vmp (simple kinetics)

Reactors\CSTR2.vmp (complex kinetics)
General
The CSTR unit operation models a Continuously Stirred Tank Reactor (CSTR). The VMGSim CSTR model
can accommodate simple or complex kinetics with or without energy transfer.
User Variables
Allows the user to add and configure a specific conversion, selectivity or yield to the CSTR.
Where:
Conversion: Net conversion of the selected reactant in the reactor.

Selectivity: Molar flow rate of the desired compound leaving the reactor over the molar flow rate of the
undesired compound leaving the reactor.
Yield: Molar flow rate of the desired compound over the amount of the base compound produced/consumed in
the reactor.
Click the User Variables button to bring up the following form where these variables can be configured.
The number and type of pull down menus will change according to the type of variable selected in the pull down
menu. Once the name and configuration information has been entered into the form, click OK and the user vari-
able will be entered into the list of reactor signal ports. Note that the reactor must be resolved after the user vari-
ables are added in order to calculate the values of each variable.
To edit an existing user variable, click on the User Variable button to bring up the form. The New Variable
check box should be enabled. Uncheck this check box and the form will now include a pull down menu which
allows you to select an existing user variable to edit or delete.
Summary (Tab)
Main Data/CSTR Configuration
This area contains information about the configuration of the CSTR.
OutQ
The energy stream out of/into the CSTR. Energy out will be a positive value and energy in will be a negative
value.
Delta P
The pressure drop over the CSTR.
Volume
The volume of the CSTR.
Percent Level Liq 0 [%]

The percent level of the light liquid in the reactor. Default is 50%.
Split Phases
If the box under Split Phases is checked, the product of the reactor will be split up based on phase. If
unchecked, the outlet will not be split.
Use Level
If the Use Level box is checked, the liquid level will be taken into account when calculating the kinetics.
Reaction Phase
This gives you the choice of in which phase the reaction occurs, liquid, vapour or the overall phase.
Material
This area shows the connected objects and the In_Material and Out_Material port information.
Reactions (Tab)
The Reactions tab is where reactions are added and configured. The reactions tab will display the stoi-
chiometric coefficient matrix for the reactions as soon as they are configured.
Add/Edit…
Click the Add/Edit... button to bring up the following form where reactions can be added or edited.
To add a reaction, type a name in the <New> box then enter the appropriate stoichiometric coefficients for each
compound in the reaction. Note that VMGSim convention is that reactants are negative values, products are
To edit a stoichiometric coefficient, click on the desired parameter and type in a new value. Note that the mes-
sage box near the bottom of the form will indicate which reaction is selected.
Copy From…
added with the stoichiometric data of the selected reaction. If the selected reactor is a CSTR or a PFR, kinetic
data of the selected reaction will also be copied to the new reaction. If <Select All> is selected, relevant data for
all of the reactions in the selected reactor will be copied to new reactions in the CSTR.
Kinetics (Tab)
The Kinetics tab contains all the necessary convergence controls for the CSTR reactor and is where the reac-
tion kinetics are added and/or edited.
Reaction
Use the pull down menu to select the reaction whose kinetics are to be edited.
Calculation Basis
The basis that is used when calculating equilibrium or kinetic expressions. The default setting is to base the cal-
culations on molar concentration.
Basis Units
The units of active basis when calculating the rate of reaction. The default depends on the unit set that you are
using.
Reaction Rate Units

The units of the reaction rate. Default depends on the unit set that is being used.
Forward/Reverse Windows
The forward/reverse sections of the Kinetics tab contain the Arrhenius equation parameters. Forward and
reverse reaction kinetics are supported, depending on which window is edited. The reaction order of each com-
pound can also be adjusted for both the forward and reverse reactions. The default reaction order for the com-
pounds is zero.
Using Advanced Kinetics

If the Advanced Kinetics box is maximized, by clicking on the plus sign located to the left of the Advanced Kinet-
ics title, the Advanced Kinetics check box can be accessed.
The check box enables the use of advanced kinetics, which allows the user to input a custom set of reaction kin-
etics. When Advanced Kinetics is checked, the Arrheninus equation parameters will be printed in the Advanced
Kinetics input textbox and can be used as a syntax template for inputting custom reaction kinetics. When the
Advanced Kinetics box is checked, an Edit… button appears, which can be clicked to bring up a window in
which custom kinetic expressions can be edited.
The Arrhenius parameters A and E should still be input directly in the grid but the reaction order cannot be
edited in the grid. It is important to note that the A and E parameters are always available to the kinetic expres-
sion and they can also be modified in the “Kinetic Variables” tab.
Note that all values used (T, P, etc.) or calculated output values (r) in the Advanced Kinetics textbox will be in
the unit set selected from the pull down menu.
Reaction Notes
Textbox where notes on the selected reaction and corresponding kinetics can be stored.
Kinetic Variables (Tab)

This tab contains the main variables of the Arrhenius equation for each reaction, listed under their perspective
tabs. “A Forward” and “A Reverse” represent the A, each for the forward and reverse reactions. Similar defin-
itions are used for “E Forward” and “E Reverse”. The purpose of this tab is to provide users with a convenient
way to modify the kinetic expressions either by changing the variables directly or by connecting them through
signal ports; it is even possible to run case studies on them.
Rxn0_A/Ar/E/Er
Represents the specific variable, A/E for forward, and Ar/Er for reverse, for Rxn0. If other reactions are added,
Rxn1, and so on, will be added in their appropriate locations.
Settings (Tab)
The setting tabs contain parameters that can be changed in the reactor.
Numerical Settings
Custom Eq Unit Set
Set the system of units to be used in the evaluation of the kinetic expression. You can change the system of
units any time, as shown below.
Minimize Error
equations are assumed to be converged. When the Minimize Error box is checked, it attempts to always reduce
the maximum error from iteration to iteration (i.e. it does not allow the solution to diverge). If unchecked, then it
blindly takes the values from the numerical algorithm from iteration to iteration. The default setting for minimize
error is checked.
Damping Factor
A damping factor lower than one results in smaller step changes in the iteration variables than those obtained
Freq Jacobian Msg

The number of internal perturbations the solver makes to the Jacobian before a status message is shown. The
default is 10.
Max Error
This is the maximum accepted tolerance for a converged solution. MaxError is defined as the largest scaled
“error” of the set of equations being solved. Where “error” is related to “how far” the equations are from a con-
verged solution.
Max Num Iterations

Maximum number of solver iterations allowed for the CSTR to converge. The default is 20.
Monitor Convergence
When the Monitor Convergence box is checked, it automatically checks if the algorithm is far from the solution
and if it does not seem to be converging, which results in a premature break in the calculations. When
unchecked, it allows the solver to keep on iterating until it reaches Max Iterations. The default setting is
unchecked.
Solution Method
Pull down menu that selects the numerical method used to solve the CSTR. The default is the NewtonRaphson
method, the Secant and Broyden methods are also available.
Try Last Converged

When the Try Last Converged box is checked, the solver attempts to use the last converged solution as the ini-
tial values for finding a new solution. Note that Try Last Converged still checks if the initialization algorithm
provides better initial values than the last converged solution. It is also important to point out that the CSTR will
still remember the last converged solution, even if it becomes unconverged. The default setting for the Try Last
Converged is a checked box.
Try To Restart
When the Try To Restart box is checked, the solver uses the last iteration values (converged or not) as the initial
values for finding a solution. This parameter overwrites Try Last Converged. This parameter is useful when it is
thought that an equilibrium reactor only needed few more iterations in order to obtain a solution. The default set-
ting for the Try To Restart box is unchecked.
Phase Settings
Liquid Ports
The number of liquid outlet ports the reactor has. The default choice is 1.
Add Solid Port

The default setting is to not add a solid outlet port, or unchecked. If checked, the reactor will have an outlet port
for solids.
CSTR Example 1 Simple Kinetics

The production of maleic anhydride by benzene oxidation using air will be modeled in this example.
For this example, it is assumed that each reaction is first order and follows the Arrhenius equations.
Start a New VMGSim case and add the Margules property package, with maleic anhydride, oxygen, benzene,
water and carbon dioxide as the components. Switch the unit set to VMG and specify the reactor inlet as shown
below.
Specify a reactor volume of 0.65 m3 and a pressure drop of 15 kPa. Note that the default Percent Level of light
liquid is 50%.
Now specify the reactions occurring in the CSTR. Click on the Reactions tab, click on the Add/Edit Button and
then enter the stoichiometric coefficient matrix as shown below.
Click OK. Now specify the kinetics expressions for the reactions. Click on the Settings tab and switch the Cus-
tom Eq Unit Set to VMG.
Click on the Kinetics tab to edit the reaction kinetics.Enter the Arrhenius Equation Parameters for each reaction
as shown below.
For reaction “Main”,
Change the reaction by bringing up the drop down menu beside Reaction in the Kinetics tab. For reaction “Side
1”,
For reaction “Side 2”,
Finally specify the duty to be zero for adiabatic operation.The CSTR should solve and will appear as shown
below.
CSTR Example 2 Complex Kinetics

This example will detail how to set up custom kinetics for the esterification of butanol to butyl acetate.
Start a New VMGSim Case. Add an Advanced_Peng_Robinson property package with the following com-
pounds: acetic acid, n-butanol, n-butyl acetate, and water. Switch the unit set to Field.
Create a CSTR unit operation and specify the inlet, delta P and volume as shown below. Note that the default
percent level is 50%.
Now click on the Reactions tab and specify the esterification reaction by pressing the Add/Edit.. button.
Now Click on the Kinetics tab, expand the Advanced Kinetics menu and click on the Advanced Kinetics check-
box, and click on the Edit button.
A custom kinetic expression can now be entered. Note that auxiliary variables can be defined, such as the k
term, as shown below.
Click OK. Now click on the Summary tab and set the OutQ = 0.0 Btu/hr. The CSTR should have enough inform-
ation to solve and will appear as below.
Equilibrium Reactor
Equilibrium Reactor
Main Flow sheet
PFD Stencil
Examples Reactors\eqReactor.vmp
General
Equilibrium reactors are used to model chemical reactors where the reactions are controlled by thermodynamic
equilibrium.
Reactor Type
Equilibrium Reactor
Use the drop down menu to specify an equilibrium reactor. The user must specify the stoichiometry for all the
reactions involved and then define the equilibrium constants in the “Reaction Constants” tab.
Gibbs Reactor
Use the drop down menu to specify a Gibbs Reactor. The user cannot specify the reactions. Instead, the sys-
tem is solved with a Gibbs minimization calculation based on atom balances as constraints. Non-reactive com-
pounds can be defined in the “Reaction Settings” tab.
Ports
Main Data
This area contains information about the configuration of the Equilibrium Reactor.
OutQ
The energy lost from the Equilibrium Reactor. By default, this value is positive for exothermic reactions. This
convention may be modified in the Settings tab.
Delta P
The pressure drop over the Equilibrium Reactor.
Material
Reactions
The Reactions tab is where reactions are added and configured. The stoichiometric coefficient matrix for the
reactions will be displayed here as soon as they are configured.
Add/Edit…
Adding a Reaction
compound in the reaction. Note that VMGSim convention is negative values for reactants and positive values
for products, and a value can be left blank for any compound that does not take part in a particular reaction.
Editing a Reaction
To edit a stoichiometric coefficient, click on the desired parameter and enter a new value. Note that the mes-
Copy From…
added with the stoichiometric data of the selected reaction. If the selected reactor is an equilibrium reactor, equi-
librium constants of the selected reaction will also be copied to the new reaction. If <Select All> is selected,
relevant data for all of the reactions in the selected reactor will be copied to new reactions in the equilibrium
reactor.
Reaction Constants
The Reaction Constants tab contains all the necessary configuration tools for the equilibrium reactor and is
where the reaction equilibrium parameters are managed.
Equilibrium Constant
Drop down menu that allows the user to select the type of equilibrium data used to solve the reactor.
K-T Table
Equilibrium and temperature data for the equilibrium reactor can be entered here. This data will then be
regressed and used to determine the parameters of the equilibrium expression used in the solution of the
reactor. The equation shape is the following,
K_cal = Exp(A + B/T + C * log(T) +DT)
where “log” is the natural logarithm.

The user is also offered the option to not regress the data and use the data directly from the table along with a
linear interpolation in between the data points, as required. Uncheck the option “Regress K-T Table” to activate
this mode of operation.
Plot
If the K-T Table Equilibrium Constant method is chosen, a Plot button will appear on the bottom right hand
corner of the Reactions Constants tab. This will allow the user to plot equilibrium data as well as the equilibrium
expression fit to the data.
Gibbs Free Energy

The equilibrium constant will be calculated using the ideal gas Gibbs free energy for each of the compounds
present in the reaction.
For every reaction,
= Stoichiometric coefficient of component i
= Gibbs free energy of component i at a reference state, evaluated at Compound Ti (same as T when no
approach temperature is defined)
R = Gas constant
T = Reaction temperature
Keq = Equilibrium constant
N = Number of compounds
K Specified
Allows a constant equilibrium constant to be specified.
A,B,C and D Specified

Allows the A, B, C and D parameters in the equilibrium expression to be specified for the equation shape,
where “log” is the natural logarithm. Note that T values used for this equation are always in Kelvin.
Calculation Basis
Pull down menu to select the basis for the equilibrium calculation.
Edit
The Edit button in the lower right hand corner of the Reactions Constants tab allows the equilibrium data to be
edited.
App To Eq.
This tab is used to model deviation from equilibrium in the calculations. The default view for an equilibrium
reactor with two reactions is shown below,
The variables that end with “_AppT” specify an approach temperature for the reaction. This means that the
reactor is solved using the equilibrium constant calculated at a temperature defined as,
Reaction T = Reactor T – App T.
In other words, if the outlet temperature of the reactor is 100 C and an approach temperature for the first reac-
tion (Rxn0_AppT) is defined as 10 C. Then the equilibrium constant of the first reaction will be calculated at 90
C.
The variables that end with “_AppToEq” specify the approach to equilibrium in a percent basis and is defined
as,
where ,
= Extent of reaction used in calculations.
= Extent of reaction in equilibrium.
Approach Temperature and Approach to Equilibrium can be used in combination.
Approach T / Component
Use this option to define an approach temperature per component. When this option is checked, the following
grid becomes visible,
These variables specify an approach temperature per component when requesting the Gibbs free energy.
These variables are only used when the type of reactor is “Gibbs Reactor” or when the calculation basis of the
reactor is “Gibbs Free Energy”
The approach temperature is defined as:
App Ti = Reactor T – Compound Ti
where i = compound index

In other words, the standard Gibbs free energy of component i is evaluated at a temperature different than the
reactor temperature.
The base equations of an Equilibrium Reactor with “Calculation Basis = Gibbs Free Energy” can illustrate how
the results are affected:
From definition, for any reaction
Rearranged,
= Gibbs free energy of component i at a reference state evaluated at Compound Ti.

R = Gas constant
= Standard free energy change

The approach temperature term affects the temperature at which is calculated, thus affecting the equi-
librium constant.
Settings
Regress K-T Table
Duty Last Converged

Boolean parameter that defines if the unit operation should try the last converged solution (temperature) when
solving for a duty specification.
Duty Max Iter

Maximum number of iterations on the outer loop that solves for a duty specification.
Duty Damping
Damping factor used on the outer loop that solved for a duty specification. A damping factor lower than 1.0 is
used to reduce the step predicted by the numerical method from iteration to iteration.
Duty Max Error

Scaled tolerance on the outlet temperature when solving for a duty specification. The default scaling factor for
Temperature is 100 C and can be modified globally in the “Basic Properties” menu entry in VMGSim.
Duty Max Step

Scaled maximum step that can be taken in Temperature when solving for a duty specification. The default scal-
ing factor for Temperature is 100 C and can be modified globally in the “Basic Properties” menu entry in
VMGSim.
Rxn Extent Last Converged

Boolean parameter that defines if the unit operation should try the last converged reaction extents when solving
the equilibrium equations.
Rxn Extent Max Iter

Maximum number of iterations when solving for the reaction extents that satisfy the equilibrium equations.
Rxn Extent Damping

Damping factor used when solving for the reaction extents. A damping factor lower than 1.0 is used to reduce
the step predicted by the numerical method from iteration to iteration.
Rxn Extent Max Error

Scaled tolerance on the outlet temperature when solving for a duty specification. The default scaling factor for
Temperature is 100 C and can be modified globally in the “Basic Properties” menu entry in VMGSim.
Rxn Extent Max Step

Scaled maximum step that can be taken in Temperature when solving for a duty specification. The default scal-
ing factor for Temperature is 100 C and can be modified globally in the “Basic Properties” menu entry in
VMGSim.
Rxn Extent Minimize Error

Numerical setting that prevents the numerical method from accepting a step unless the error is being reduced
from iteration to iteration.
Boolean Parameter which sets whether OutQ is positive (set to 1) or negative (set to 0) for exothermic heat of
reaction.
Phase Settings
Liquid Ports
Add Solid Port
Reaction Settings
This tab is visible only when using a Gibbs Reactor. It is used to define the components that are non-reactive
when performing the Gibbs free energy minimization.
Reference: “Chemical Reaction Equilibrium Analysis: Theory and Algorithms”; Smith, W. & Missen, R.; John
Wiley & Sons; 1982
Equilibrium Reactor Example

In this example an equilibrium reactor will be used to model gas shift and reforming reactions.
For this example the equilibrium constant will be modeled using tabulated data.
Create a new VMGSim project, and add an Advanced_Peng_Robinson property package with methane, car-
bon monoxide, carbon dioxide, hydrogen, water, oxygen, nitrogen, ethane and propane as components.
Switch the unit set to SI. Create two material streams, Reactants and Products, and specify Reactants as
shown below.
Add an Equilibrium Reactor and attach the streams as shown below.
Click on the Reactions tab and specify the reforming and shift reactions by clicking the Add/Edit button and con-
figuring the Reaction data form as shown below.
Click on the Reaction Constants tab where the parameters necessary to define the chemical equilibrium cal-
culations are entered. Since tabulated equilibrium data will be used for both reactions, make sure the K-T Table
is selected from the Equilibrium drop down menu.
Click the Edit button to bring up the following form and enter the equilibrium data.
Click OK to be returned to the Reaction Constants tab. The tabulated equilibrium data will be used to regress
parameters for an equilibrium relationship; the relative error between the tabulated data and this relationship is
also available in this table.
The regression results and the relative errors between calculated and provided (generally experimental) reac-
tion constant values can be inspected by clicking the Plot button. This will launch a plot window where the K-T
curves for different reactions can be viewed.
Return to the Summary tab and specify a pressure drop of 0 and an Out material port temperature of 975 °C.
The reactor will have enough information to solve and will appear as below.
It is also common to specify the reactor duty instead of the outlet temperature. Remove the out port tem-
perature specification, and specify the reactor duty to be 10000 W. The reactor reaches a different equilibrium
state as shown below.
Ethylene Cracker
Ethylene Cracker
Main Flowsheet
PFD Stencil
Examples Reactors\EthyleneCracker.vmp
General
The ethylene cracking reactor allows predictive trending of a matched steam cracking furnace reactor or con-
vection section using individual units. This reactor unit is not considered part of the generally supported oper-
ations within VMGSim and requires a special license option. The overall model involves both furnace and
process side calculations including optional ranges of kinetic based reaction slates. Furnace options available,
plus multiple connected unit operations within a flow sheet, allow for almost any detailed geometry of a furnace
to be created including the convection sections of a cracking furnace. (Please see File Men /Plant
Examples/SS-NaphthaCrackingFurnace.vmp"for the detailed Naphtha Cracker package including furnace and
convection sections). The complete summary form of furnace cracker is shown below.
Note: Furnace side material should be combusted flue gas entering at flame conditions. The composition of
this furnace material will be used for internal flue gas emissivity calculations.
Schematic
for the operation.
Summary
Summary tab contains Tube Data, Furnace Data, Results and Material ports frames. In this tab, main Cracker
unit specifications need to be entered and general results are provided.
At the bottom of the Summary tab, there is a Multi Segment Tube check box. This check box option allows sim-
ulation of furnace geometries with multiple tube segments. Checking this box changes shown variables in the
Tube Data frame and shifts these variables to the Tube Detail tab. Consequently, in the Summary tab, vari-
ables in the Tube Data frame will change and Auto Furnace Split and Tube Segments will be added in this
frame. For more detail please check Multi Segment Tube section.
Tube Data
The tube data frame represents general information of the cracking furnace tube layout geometry and process
side reaction model. The signal inputs are listed below.
Reaction Model
This parameter specifies the amount of kinetic reactions taking place within the unit operation’s internal
calculations. The C2 and C3 light gas feed reaction models use predefined component lists and kinetic reaction
pathways as shown below. The “C2 Feed” reaction model should only be used in situations where ethane is
considered the only feed reactant. Due to the influence of heavy component creation on major yield com-
ponents it is recommended the "C2,C3 Feed(Adv)" or "C2,C3 Feed(Adv Hvy)" reaction models are used for
best accuracy.
The PIONA based reaction models "Light Ends (< C10)", "Naphtha (< C20)", "Light Gas Oil (< C36)", and
"Middle Distillate (< C50)" should be selected in situations where heavier feeds such as naphtha or gas oil are
encountered. In these situations a generic internal kinetic scheme is used and based off component atomic num-
bers and their chemical families selected in the flowsheet. General kinetic pathways are generated for the
internal kinetic pathways and follow a grid configuration based on carbon number and molecular structures as
show below.
cies it will consider within its kinetic pathways reactions. Due to propagation reactions that occur within thermal
cracking units the feed's heaviest carbon number component should be slightly less than the maximum reaction
carbon number being considered.
Tube Material
(Faghri, 1995).
Number Of Tubes
The number of separate feed tubes running through the furnace is entered in this signal port. Composition,
flow, temperature, and pressure profiles through these tubes are assumed to be equivalent.
Passes Per Tube

The number of passes per tube through the furnace region is entered here. The tube length and bend radius is
Length
Tube Bend Radius

The average tube bend radius should be entered in this signal port for multiple tube pass situations. This input
value affects both the pressure drop and convective heat transfer calculations.
Note: Tube bend sections are included in the overall tube length specified.
Inside Diameter
Outside Diameter
The corresponding outside diameter of the process tubes are entered in this signal port. All heat transfer res-
ults within the ethylene cracking reactor will be given with respect to the outside diameter and outside surface
area.
Roughness Factor
The roughness factor inside the tubes can be entered in this signal port. This entry can be used to model tube
conditions in order to match pressure drops across the process side. Initial estimates for the roughness factor
for different types of material can be found in literature (Mokhatab, Poe, and Speight, 2006).
Calculate Coke
By checking the Calculate Coke box, the reactor's Service Time will appear and by specifying a Service Time,
the current Coke Thickness will be calculated instead of being a required input. These calculations assume con-
stant operational conditions on the process side throughout the service time.
Service Time
Current Service Time can be entered here when the Calculate Coke box is selected. Coke Thickness will be cal-
culated automatically based on the Service Time with a minimum of 0.2 mm.

In the case that Calculate Coke box is not checked, the inlet and outlet coke thickness on the process side
should be entered here. A linear coke thickness will be interpolated between these two inputs for values along
the length of the tube coil. This value will be accounted for in heat transfer and flowing cross sectional area
calculations. The thermal conductivity of the coke is set to 6.46 W/m-K (Plehiers, Reyniers, and Froment,
1990).
Furnace Data
Heat transfer calculations for the ethylene cracking reactor depend on the configuration and geometry of the
furnace. Information regarding the furnace side calculations is entered in this area. Radiant, conductive, and
convective heat transfer effects are all considered when calculating heat flux profiles throughout the reactor sec-
tions.
Ambient Heat Loss

Energy loss to the environment from the furnace section can be entered here. The heat loss amount specified
will be distributed evenly throughout the length of the furnace.
Heat Transfer Model

This parameter allows different overall configurations of the furnace section to be selected. These options
include rectangular versus cylindrical shape and transverse versus parallel flow. The general setup each of
these configurations with assumed burner direction is shown below.
Note: The number of tube rows parallel to flue gas flow for cross flow setups can be specified in the "Con-
vection Data" frame of the "Setting" area. The "Tube Rows" variable is initially default to one.
Furnace Width
The width of the furnace is entered in this signal port. When multiple tubes exist in an operation each tube coil is
spaced evenly within the width space available with tube pass spacing being based on the tube bend radius.
Furnace Depth
The depth of the furnace is entered in this signal port. Similar to the furnace width, when multiple tubes and
passes exist in an operation each tube row is spaced based on the tube row bend radius within the depth space
available.
Furnace Diameter
If a cylindrical furnace configuration is chosen, the diameter of the furnace is entered within this signal port. In
this case the furnace depth and width entries are not used.
Furnace Pressure Drop

The pressure drop across the furnace side is specified here. There is no pressure profile calculated on the fur-
nace side and an overall outlet pressure is assumed for internal calculations.
Fouling Factor
Where:hs and ht are the shell side and tube side heat transfer coefficients respectively.
View Factor
It is recommended that the view factor is not specified below 0.67 (Bahadori and Vuthaluru, 2009).
Tube Emissivity
The emissivity of the furnace tubes is entered in this signal port for internal radiant heat transfer calculations.
An example would be an emissivity of 0.79 for an oxidized steel at ~600 C, or 0.28 for a mild molten steel sur-
face ~1600 C (Hewitt, Shires, and Bott, 1994).
Fin Type
In case Multi Segment Tube box is check, this parameter will be shown in the Tube Detail tab. This parameter
can be used to select different transverse fin types for situations where preheating convection sections includ-
ing fins are being modeled with or without cracking reactions taking place. Different types of fin are provided
such as Serrated, Single L Foot,Grooved in, Extruded. Fin details such as spacing, height, and thickness can
be entered in the "Fin Data" frame. Details involving the fin types, geometries, and heat transfer effects can be
found in the Air Cooler Rating manual section, but the general geometry entries are shown below.
Results
Overall results from the furnace cracking reactor are provided within this area. All results are provided in signal
ports that can be connected to other flow sheet operations, including Controller unit operations.
Conversion
When using a PIONA based reaction model this value is calculated as the conversion of any feed component
mass flow rate from the inlet to outlet of the reactor. When using a specific reaction model ethane, propane,
and n-butane are considered the only reactants for conversion calculations. Other feed components that are
reacted in the specific reaction models are not included in this calculation.
Spec Conversion
If a overall conversion specification is desired then this check box can be activated and a value can be entered
directly into the Conversion variable. In this situation either the View Factor or flow rate for the FurnaceIn mater-
ial port must be removed to balance the overall unit's degree of freedom. Tolerance for this internal controller on
the overall conversion can be entered in the Spec Conv Tolerance variable.
Outlet Temperature
The outlet process temperature is provided in this location. This result is available as a signal port for use in con-
troller setups within the flow sheet if desired.
Spec Outlet Temperature

If a outlet coil temperature specification is desired then this check box can be activated and a value can be
entered directly into the Outlet Temperature variable. In this situation either the View Factor or flow rate for the
FurnaceIn material port must be removed to balance the overall unit's degree of freedom. Tolerance for this
internal controller on the outlet temperature can be entered in the Spec T Tolerance variable.
Outlet Pressure
The outlet process pressure is provided in this location. This result is available as a signal port for use in con-
troller setups within the flow sheet if desired.
Spec Outlet Pressure

If a outlet coil pressure specification is desired then this check box can be activated and a value can be entered
directly into the Outlet Pressure variable. In this situation the inlet process pressure must be removed to bal-
ance the overall unit's degree of freedom. Tolerance for this internal controller on the outlet pressure can be
entered in the Spec P Tolerance variable.
Process Pressure Drop

Pressure drop through the process tubes is provided in this signal port. Values are based off internal cal-
culations as completed inside VMGSim’s Pipe operation with tube bend considerations.
Residence Time
The residence time of the process material through the tube length is provided here accounting for all volu-
metric changes throughout the coil. Checks on appropriate residence times based on different feed stocks can
be done using this value.
Max Tube Temperature

The maximum tube temperature is provided for metallurgical considerations within the reactor. This tem-
perature is calculated at the hottest location along the tube surface, which is usually on the furnace side where
the burners are located.
Max Coke Growth

When using the "C2,C3 Feed" reaction model, or heavier, coke formation distribution is calculated across the
inner surface area of the tube. The maximum velocity of this calculated thickness growth along the full length is
provided in this signal port. If current coke thickness along specific sections of a tube length is required the tube
sections should be split using the Multi Segment Tube feature.
Material Ports
In
This material inlet represents the feed of steam and mixed ethane and propane into the reactor. Volumetric
flow rates should be checked to ensure good residence time within the process tube(s).
Out
Process material exiting the unit is placed in this material port. Resulting conversion and mass yields reported
will all be based on the “In” to “Out” material ports.
FurnaceIn
Hot flue gas combusted within a burner to heat the cracking reactor tubes should be entered here. No further
reactions will be calculated for the flue gas furnace side within the furnace operation.
FurnaceOut
Cooled flue gas already passed over the reactor tube sections will exit from this material port. Care should be
taken that this material’s temperature does not drop too greatly from the resulting overall reactor’s heat transfer.
Multi Segment Tube

This check box option allows simulation of furnace with multiple tube segments. where the number of tubes,
tube direction, diameter, or other geometry consideration is changing. Once checked information related to the
tube configuration from all tabs are summarized within a new Tube Detail tab as shown below for a 3 tube seg-
ments unit. Consequently, in Summary tab, variables in Tube Data frame will change and Auto Furnace Splite
and Tube Segments will appear in this frame.
Tube Detail
The details of each segment within the Cracker furnace unit can be specified here. These inputs include Tube
Detail and Fin Detail specifications and geometry. An additional input column will be automatically created for
each segment through the Tube Segment input variable. The ordering of the segments goes from the feed
entering segment 1 first and exiting at the highest segment last.
Segment Tube Detail

Auto Furnace Split
This option allows the unit to estimate the actual Furnace Split values between each of the tube segments in the
unit. The internal estimates will be based off number of tubes, number of tube passes, and tube bend radius for
each of the tube segments specified.
Tube Segments
The number of different back to back tube segments within the unit is given here. There is no limit to how many
segments can be specified in a unit.
Transfer Line Data

The ambient temperature and air velocity surrounding the furnace box can be entered in this input node. This
node will only apply to tube segments that have the Transfer Line check box option activated.
Transfer Line
This check box should be activated if a section is exposed to ambient conditions and is not contained within the
furnace box. Once a segment is labeled as a transfer line segment all other downstream segments must also be
considered transfer line segments.
Furnace Split
These variables can be specified for each tube segment if the fraction of flue gas on the furnace side exposed to
each segment in the furnace box is known. The values must total 100% and can only be entered if the Auto Fur-
nace Split option is disabled.
If Multi Segment Tube is checked, all parameters listed below will appear in the Segment Tube Detail. Tube Dir-
ection, Number of Tubes, Passes per Tube, Length, Tube Bend Radius, Inside Diameter, Outside Diameter
and Tube Coke Thickness In/Out are explained in Summary-Tube Data section and Tube Row Layout, Tube
Rows and Row Bend Radius are explained in Yield/settings-Convection section for the case that Multi Seg-
ment Tube is unchecked
Yields/Settings
This tab includes parameters controlling numerical settings, speed up mode, tolerances and parameters con-
trolling performance of Cracker (heat transfer, yields) such as convection, pressure drop, coke formation and
PIONA kinetic tuning. PIONA Structure groups and Heteroatomic species considered in the reaction pathways
applied can also be customized here.
Numerical Settings
All Vapor Phase
solution times.
Direct Solve
Checking this box changes the solution method to Direct Solve, which accelerate solving time. Direct Solve
uses saved performance profiles (heat flux, etc) and runs on predicted temperature profiles instead of reactive
enthalpy calculations and locks furnace performance. This option requires the unit operation to be solved with
on outlet coil specification active and the lumping speed-up mode selected.
Uncertainty estimation will be provided in the unit status message when in Direct Solve mode and when this
value gets large a rigorous non-Direct Solve should be made. Direct Solve then can be applied again with this
closer reference point.
Solve From Last Conv

With Checking this box, the reactor's attempt to solve will initialize from the previous converged solution.
Zone Segments
Tolerance
provided here.
Damping Factor
The damping factor for internal iterative calculations is entered in this parameter. The default value given for
this setting is optimized for general convergence speed.
Max Iterations
Reaction Version
DP Data
dP Correlation
If a specific pressure drop correlation is desired for the process tube side it can be altered here. The pressure
drop correlations are the same as found in the Pipe Segment operation.
Note: 2-Phase pressure drop correlations should always be selected when liquid is present in the feed.
Min Outlet Pressure

The minimum allowable pressure at the inlet or outlet of any reaction zone can be specified here. A warning will
calculations as shown below.
Coke Roughness Factor

This factor dictates the additional roughness effects from coke thickness within the tube coils. When set to zero
the coke thickness still decreases the apparent inner tube diameter, but does not increase the roughness of the
tube surface.
Specification Settings
Spec Conv Tolerance
This value is used as an absolute tolerance for the overall conversion specification if activated in the unit.
Spec T Tolerance
This value is used as an absolute tolerance for the outlet coil temperature specification if activated in the unit.
Spec P Tolerance
This value is used as an absolute tolerance for the outlet coil pressure specification if activated in the unit.
Convection Data
For Multiple Segment Tube mode, the Convection Data frame is reduced to Disable Heavy Reactions, Addi-
tional length, Mult T Pass Adj, Conc HTC In and Conv HTC out.
Disable Heavy Reactions

for non-reactive situations like lower temperature feed, or water and steam only, convection sections. When the
typical "C2 Feed", "C2,C3 Feed", or "C2,C3 Feed (Adv)" reaction models are selected this check box will have
no effect.
Tube Direction
The direction of the tube coils within the furnace section can be selected here. The options include either hori-
zontal or vertical tube rows coming in from the top or bottom of the furnace. For horizontal tube directions the fur-
nace cross flow selection always assumes the hot material to be coming in from the bottom. For furnace
sections where the flue gas is traveling in the downward direction the tube direction choice should have the top
and bottom option assumption switched.
Additional Length
The additional furnace length past the length of each tube pass can be specified here. This variable will effect
the heat transfer calculations on the furnace side of the unit.
Tube Rows
Row Bend Radius

tiple tube row situations. This input value affects convective heat transfer calculations.
Tube Row Layout

layouts with respect to the flue gas flow is shown below.
An example of a convection section setup is shown below. In this case the number of tubes is 4 with 6 tube
passes and 3 tube rows specified. The tube direction is selected as horizontal from the top with a 30 degree
tube layout all within a X-rectangular furnace.
Mult T Pass Adj

This variable is used as an adjustment factor for temperature profiles within the furnace side. The adjustment
effects furnace heat zones along tube lengths for parallel flow configurations and across tube rows for cross
flow configurations.
Conv HTC In/Out

These values can be adjusted for tuning of the shell side convective heat transfer terms calculated internally
within the unit. The "In" value is multiplied by the shell side convective term and linearly reaches unity by the end
of each reaction zone. The "Out" value is similar, but starts at unity and linearly reaches its value by the end of
each zone. These terms do not effect radiant heat transfer contributions directly within the heat transfer cal-
culations.
Coke Formation Data

Coke Growth Kinetics
All kinetic multipliers involved with reaction rates of coke growth are given in this node. These variables will
adjust based on the current reaction model activated (specific reactions vs. general PIONA based reactions).
All reaction pathway definitions related to each tuning variable can be viewed in the variable's tool tip provided.
Tube Metal Data

The average coil tube alloy content is automatically calculated and shown in this frame based off the selection
type of the tube material in the "Furnace Data" frame found in the "Summary" tab. To enter specific custom tube
content the "Custom Alloy" check box should be activated and the Iron (Fe: 0~99%), Nickel (Ni:0~82%), and
Chromium (Cr:0~30%), content can be specified into this frame instead.
Fe and Ni are heat resistance material. However, increasing Fe content increases coke formation due to the
catalytic mechanism of coke formation and increasing Ni content in absence of Fe has the same effect on coke
formation. Increasing Chromium content inhibits coke formation and the catalytic effect of Fe and Ni. Moreover,
coke thickness input in the "Summary" tab also hinders catalytic effect of the metal content, which results in
reaching asymptotic coke growth rate in the unit's calculation (Holmen, 1987) (Bach and Zimmermann, 1995).
Smaller metal alloy content such as silicon is not currently considered within these calculations.
Feed Inhibitor Data

All data inputs related to coke inhibition caused by inlet feed inhibitors can be specified in this node. Inhibitors
such as dimethyl disulfide (DMDS), Thiophene and phosphorous compounds can reduce coke formation.
Depending on the type of inhibitor, different amount of it will be required in the feed material port to lessen the
coke formation: DMDS < 500 PPM, Thiophene < 10,000 PPM and Phosphine < 1000 PPM. By default, the
inhibitor in the feed does not reduce coke formation unless the "Disable Inhibitor" box is unchecked in the Yield-
s/Settings tab under the "Coke Formation Data" frame's "Feed Inhibitor Data" node. To adjust the effect of inhib-
itors on the two main different parts of coke formation rate (catalytic, asymptotic), catalytic and asymptotic
multipliers (Mult Catalytic, Mult Asymptotic) can be used.In addition, presence of PIONA hetroatomic sulfur
compounds in the feed can play role as an inhibitor and fall under a similar mechanism as Thiophene for the cal-
culations.
Tube Coating Data

Tube coating is another method to reduce tube coke formation, which mostly affects catalytic coke growth
affects. Al, Al-Mg, Zn, Ni/SiO2, Cr2O3/SiO2, SiC CVD are the main types of available coating that are used in
cracking furnaces to reduce tube coke formation and are available within this unit. To activate a tube coating to
reduce coke formation the tube coating can be selected from the “Tube Coating Type” drop down list. Also to
adjust the effect of customized coatings on coking rates, based on experimental or plant data, the catalytic and
asymptotic multipliers (Mult Catalytic, Mult Asymptotic) can be applied.
Detailed Results
Shell Conv HTC
The average heat transfer coefficient across the furnace side for convection heat transfer calculations is
provided in this signal port for bare tube or finned tube situations.
Furnace Exchange
The total energy that is transferred between the process and furnace side is displayed here. This value
includes both radiant and convective heat transfer considerations.
Flue Gas Emissivity

The internally calculated furnace side flue gas emissivity that is used in radiant heat transfer predictions is
shown here. This resulting value is dependent on gas composition, average furnace side temperature, and
excess oxidant of the flue gas (Bahadori and Vuthaluru, 2009).

Area Ratio

The outer diameter of the fin tips is given in this signal port.
Fin Efficiency
PIONA Kinetics
The ability to tune the reaction rates of different pathways can be achieved here through these variables
PIONA Inclusion
PIONA Lumping
P/I/O/N/A
components).
Atomic Inclusion
O/S/N/V/Fe/Ni
PIONA General Kinetics

Light Ends
Wieghting factors for C1-C4 PION structure group component product yields, while maintaining the light end's
overal mass yield.
kinetic tuning variables, most common ones used in regression studies with plant data for Cracker are PIONA
Cracking, PIONA Propagarion, O Cracking, N Cracking, A->N, N->O, P->O and Benzene Formation.
Ethylene Cracker Example

Overview
This example models an ethane cracking furnace. The flow sheet example as shown below follows that
described in the paper by Plehiers et al., (1990). A second flow sheet example is available that used a Ethylene
Cracker unit operation to model tube section.

Select the Advanced Peng-Robinson property package and add components as shown in the image below.
These components are necessary to model the “C2,C3 Feed” reaction model option in the ethylene cracking
reactor unit operation and the flue gas for the furnace side calculations.
Process components:
- WATER-1-OCTENE
- HYDROGEN ACETYLENE -
CARBON-- VINYLACETYLENE
-METHANE -PROPADIENE
-ETHANE -METHYLACETYLENE-
-PROPANE -1,3-BUTADIENE
- n-BUTANE -CYCLOPANTADIENE
- ISO-BUTANE -CYCLOPENTENE
-1-PENTENE BENZENE-
ETHYLENE-TOLUENE-
PROPYLEN-STYRENE-
STYRENE- ETHYLBENZENE-
1-BUTENE - p-XYLENE
-2-BUTENE - NAPHTHALENE
- ISOBUTENE
- 1-PENTENE-
1-HEXENE-
1-HEPTENE-
Furnace components:- OXYGEN CARBON MONOXIDE- CARBON DIOXIDE

- NITROGEN
Flow Sheet Setup

An Burner is selected to burning fuel and properly model the flue gas for the cracking reactor furnace. The feed
entering the burners for the furnace are described in the paper as below.
Fuel gas composition: Methane = 95 mol%, Hydrogen 5 mol%
Air excess: 20%
With this information the inlet material stream for the burner can be entered as shown below.
Using the Set to calculate the amount of required steam from the provided hydrocarbon steam dilution of 0.365
kg/kg value in the paper .
Material streams, called “Feed” and "Steam"can now be created and information can be entered into this
streams as shown below
"Diluted Feed" steam represents the steam and ethane mixture entering into the cracking furnace .
Outlined in the paper are two regions within the reactor with different tube diameters. The first region is a
73.845 m length of 12.4 cm internal diameter tube. An Ethylene Cracker with multiple tube with 2 Tube Seg-
ment is selcted.
Note: The view factor was estimated = 0.65 from burner to tube exposure within the reactor’s furnace sections.
The furnace width and height entered should only represent the open area within the furnace section. In this
example the values entered had thickness of the refractory and insulation, as stated in the referenced paper,
already removed.
Furnace Length = 9.600 – (2 x 0.251) – (2 x 0.050)=8.998 m
Furnace Width = 1.800 – (2 x 0.251) – (2 x 0.050) = 1.198 m
Results
Overall reactor performance can now be compared to that of the values provided in the reference paper. Below
is a summary table of the key reactor results. By adjusting tuning parameters in the Settings tab these results
can be matched more directly to the paper's values if desired.
Kinetic Tuning Variable to set the exact yields : A Kinetics/ Mult A0 = 0.73
Paper VMG
*Ethylene Yield 48.00 48.1
[mass%]
*Methane Yield 4.28 5.03

[mass%]
*Benzene Yield 0.80 1.00
[mass%]
Outlet Temperature [C] 848.0 848.0
Outlet Pressure [kPa] 195.0 194.9
*Overall Conversion [%] 63.30 62.78
Flue Gas Exit Temp [C] 1115.0 1125.0
The profiles within the ethylene reactor can also be observed in the Profiles or Plot tabs available in ETH1-2.
Below is an image of the temperature profile for the ethylene cracking reactor.
Tube interface temperatures, heat flux, overall U value, and radiant contribution profiles can also be observed
for the reactor since individual heat transfer calculations occur in each segment of each zone within the reactor
operations. In this example it can be observed that radiant heat transfer contributed to roughly 93.0% of heat
transfer. Shown below are plots for the heat flux and ehylene mass percent yield versus the reactor tube
length.
Reference
P. M. Plehiers, G. C. Reyniers, and G. F. Froment, “Simulation of the Run Length of an Ethane Cracking Fur-
nace”, Ind. Eng. Chem. Res., 29, 636-641 (1990).
Fischer Tropsch Reactor

Fischer Tropsch Reactor
Main Flowsheet
PFD Stencil
Examples Reactors\FischerTropschReactor.vmp
General
The Fischer Tropsch reactor (FTR) unit operation models the hydrogenation of carbon monoxide over a cata-
lyst bed. The product of this unit operation comes in the form of vapor, liquid, and wax outlet material streams.
Enthalpy of formation is accounted for with all products generated and enthalpy of fusion is calculated for any
wax drop out.
Carbon monoxide conversion, carbon dioxide selectivity, and paraffin/olefin/alcohol product distribution kinetics
can be entered as signal values by the user to customize this operation. Alternatively, these values can be auto-
matically estimated through methodologies from literature for both iron and cobalt based catalysts. A detailed
selectivity option also allows more specific product groups distributions if required. The complete summary form
for this operation is shown below.
Schematic
for the operation.
The actual locations of the material and energy ports are shown below. Only one of the RecycleIn or
MainFeedIn material ports is required to have material to solve this operation, but usually FTR’s are run with
partial product recycle in order to improve overall conversion (Lee et al., 2007).
Main Data
The main data frame represents general information related to the FTR unit operation. The signal inputs are as
below.
Ambient Heat Loss

The energy lost to the surrounding environment from the reactor can be provided in this signal port. This
energy loss is directly applied to the process side of the operation.

This signal port gives the pressure loss of the process material through the reactor vessel. This pressure drop
value applies to all process side exiting streams in the operation (i.e. VaporOut, LiquidOut, and WaxOut). This
pressure drop signal port will be back calculated if one of the outlet material port pressure variables is provided.
The estimated kinetic option for iron or cobalt catalyst types will use the resulting outlet pressure for pressure
dependent calculations.
Note: Typical product pressure ranges for these reactors are between 10-40 bar (Lee et al., 2007), but can go
as low as 1 bar for Cobalt based catalysts (Bartholomew and Farrauto, 2006).
Cooling Pressure Drop

This signal port gives the pressure loss of the cooling material through the reactor vessel. The pressure drop
value given applies to the cooling side exiting stream (i.e. CoolingOut). This pressure drop signal port will be
back calculated if the cooling outlet material port pressure variable is provided.
Detailed Selectivity
When selected this option the variables within the "Kinetic Parameters" frame are altered to expose different
product group selectivity inputs. The "Target Conversion" and "CO2 Selectivity" variables are still kept with the
same input definitions as in the basic selectivity option.
The hydrocarbon groups exposed for selectivity include normal paraffins, iso-paraffins, olefins, alcohols, alde-
hydes, and acids. Continuations of each group's selectivity above the exposed carbon number input variables is
calculated with an ASF alpha distribution curve based on mole fraction (Bartholomew and Farrauto, 2006).
In order to best match the specific input selectivity values, since the overall selectivity values extrapolated to
higher carbon numbers might not equal 100%, the "Paraffin C3 Selectivity" and "Paraffin C4 Selectivity" values
are internally shifted up or down together. Due to equal shifting of these selectivity values together the slope of
the hydrocarbon selectivity versus carbon number is kept constant.
Catalyst Activity
When the kinetic parameters are being automatically estimated for the FTR unit operation the target conversion
of carbon monoxide can be scaled up or down by altering this signal port. This catalyst activity value is ignored
when kinetic parameters are being entered directly.
Product Temperature
The product temperature of the reactor can be specified in this signal port. This temperature applies to all outlet
product material ports and will be back calculated if a temperature is provided in one of the product streams.
The estimated kinetic option for iron or cobalt catalyst types will use this temperature for temperature depend-
ent calculations.
Note: Typical product temperature ranges leaving these reactors are between 200-300 C (Lee et al., 2007).
Kinetic Parameters
The FTR unit operation’s product distributions are driven from the kinetic parameters entered in this frame. The
description of each of these parameters is as given below.
Catalyst Type
If the “Estimate Kinetics” check box is selected some automatic kinetic parameters will be calculated based off
this general catalyst type. Carbon monoxide conversion, carbon dioxide selectivity, and the Alcohol kinetic
entry calculation all rely internally on this selection.
Estimate Kinetics
This check box allows automatic calculation of the kinetic parameters fitted to open literature (Bartholomew and
Farrauto, 2006) (Steynberg and Dry, 2004). These kinetic values are process composition, pressure, and tem-
perature dependent. If user defined kinetic values are desired for the FTR operation this option can be left dis-
abled.
Target Conversion
This value represents the targeted carbon monoxide conversion for the FTR’s process side. If no limitation
from hydrogen or oxygen (for associated carbon dioxide selectivity) are encountered this value should match
the “Actual Conversion” signal value calculated in the “Results” frame.
If the target conversion is not achievable the operation’s solver will iterate to find the closest solution achievable
by lowering the carbon monoxide conversion. This number of iterations will be provided in the unit operation’s
status bar message for all attempted solutions.
When the carbon monoxide conversion is automatically estimated it uses the following equation.
Where for iron catalyst m = -0.24, n = 1.40, E = 101 kJ/mol (Eliason and Bartholomew, 1999) and for cobalt
catalyst m = -0.20, n = 0.70, E = 102 kJ/mol (Ribiero et al., 1997) (Zennaro et al., 2000). The A parameter was
matched to overall carbon monoxide conversion data found in literature assuming the catalyst activity signal
port in the FTR operation was left default at 1.0.
CO2 Selectivity
The carbon dioxide selectivity determines how much carbon monoxide is converted to carbon dioxide using the
following formula.
MolesCO2 Product = MolesCO2 Feed + (MolesCO Feed * ConversionCO * SelectivityCO2)
When the selectivity is automatically estimated it uses the following equation.
Where m, n, A, and B parameters were regressed from overall carbon dioxide selectivity data found in open lit-
erature for iron and cobalt catalyst types.
Alpha
The product distribution of converted carbon monoxide follows a modified form of the Anderson-Schulz-Flory
(ASF) method (Bartholomew and Farrauto, 2006). This method gives carbon number distribution based off an
alpha value that can be provided in this signal port.
When this alpha value is automatically estimated it uses the following equation.
In the above equation the first partial pressure term is based off literature by Lox (1993). The temperature
dependency term of the equation is based of literature by Song (2004). With the A parameter fitted to alpha val-
ues sited in literature a typical plot for feed with a H2/CO ratio = 2.0 would look similar to that shown below.
Modification was made to this method regarding the methane and ethylene distributions. General under-pre-
diction of methane from the ASF method and over-prediction of ethylene led to the below distribution cor-
rection.
Where a = 25% for iron based catalyst and a = 100% for cobalt based catalyst.
Olefin
Besides a large percent of paraffin based products exiting as FTR product there can also be a significant
amount of olefin and alcohol type products (Bartholomew and Farrauto, 2006). To model the olefin product dis-
tribution the signal parameter available to users alters the Olefin constant used in the equation below.
Where n is the distribution carbon number and reduced ethylene is only produced when iron type catalyst has
been selected due to the modified conversion to methane as explained earlier. Automatic calculation of kinetics
sets this number to -0.3 for all running conditions.
Alcohol
Creation of alcohol species in the product comes from a reaction pathway based on olefin species as shown
below. Due to this the mole fraction of olefin is reduced by produced alcohol products.
The percent of olefin species that convert to similar carbon number alcohol species is entered in this signal port.
Automatic calculations of this signal value is 1% for cobalt type catalyst and 4% for iron based.
Results
Syngas H2/CO Ratio
The overall hydrogen to carbon monoxide mole ratio entering the FTR unit is provided here. This value is a
good guideline for Fischer-Tropsch synthesis within the unit operation (e.g. low temperature Fischer-Tropsch
synthesis suggests H2/CO mole ratios usually around 2.15 (Bartholomew and Farrauto, 2006)).
Product H2/CO Ratio

The overall hydrogen to carbon monoxide mole ratio exiting the FTR unit is provided here. This value should be
of similar value to that of the Syngas H2/CO Ratio for stable recycling of product gas back into the unit’s feed.
Actual Conversion
This port gives the value of actual conversion achieved by the FTR unit operation. If no limitation from hydrogen
or oxygen (for associated carbon dioxide selectivity) are encountered this value should match the “Target Con-
version” signal value given in the “Kinetic Parameters” frame.
If the target conversion is not achievable the operation’s solver will iterate to find the closest solution achievable
by lowering the carbon monoxide conversion. This number of iterations will be provided in the unit operation’s
status bar message for all attempted solutions.
Cooling Exchange Q
The amount of energy exchanged between the process and cooling sides of the FTR operation is displayed in
this signal port. A negative value is given if energy was taken from the cooling water side to heat the process
side.
Cooling Approach Temperature

This signal port displays the temperature approach between the process and cooling sides. A hot process side
is assumed for this calculation and negative values would suggest an impossible heat transfer scenario.
Solution Error
Product distribution of the FTR operation makes use of all straight chained paraffin, olefin, and alcohol com-
ponents selected in its property package. The maximum limit of carbon number species considered for each
group calculated in the FTR is listed below:
Paraffin = 200 Olefin = 100 Alcohol = 50
The mole fraction of product lost due to any missing components is summated and provided in this signal port.
This value of error is also provided in the unit operation’s status bar
Note that care should be taken when selecting which components need to be included for use in the FTR unit
operation flowsheets. Usual operation of these reactors produces waxy syncrude that consists of mainly C30+
components.
Material Ports
MainFeedIn
This material inlet represents the main feed to the reactor. Usually this would be clean syngas originating from
a reformer section where the hydrogen to carbon monoxide ratio would be around 2.15.
RecycleIn
This material inlet represents recycled product gas from the reactor. Usually FTR’s are run with partial product
recycle in order to improve overall conversion.
Care should be taken to ensure inert components don’t build up excessively when recycling large amounts of
product.
VaporOut
The product material that exits the reactor as vapor is provided in this material port. Feed material to the reactor
that is not hydrogen or carbon dioxide will not take part in the reaction calculations and will instead pass through
the unit operation with outlet process conditions.
LiquidOut
The product material that exits the reactor as liquid is provided in this material port.
WaxOut
The product material that exits the reactor as solid wax is provided in this material port. The enthalpy of fusion
and effect of solid heat capacity for all components in this stream is accounted for even though the stream is
labeled as a liquid in the flowsheet.
CoolingIn
This material inlet represents the cooling medium being used for the FTR unit operation. Different con-
figurations of temperature or flow specifications in the inlet and outlet cooling medium ports allow back-cal-
culation of flow rate or temperatures.
CoolingOut
Exiting cooling medium material from the FTR is provided in this material port. The Cooling Temperature
Approach signal port in the Results frame should be checked to ensure possible solutions have been reached.
Numerical Settings
The FTR unit operation’s numerical solution is based off some parameters as provided in the “Settings” tab.
These values can be altered to customize the solution if necessary.
Reactor Order
This value does not effect the basic FTR configuration and is only used for advanced configurations. Ideally this
value should be left equal to zero.
Maximum Iterations
The maximum number of iterations allowed to solve the FTR is entered here. The number of reactor segments
determines the resolution of the FTR’s solution. A larger number in this entry is especially important when
actual conversion does not match the target conversion due to limiting components.
Maximum Error
The tolerance of the material and energy balances in the FTR operation’s solution is provided here. If greater
accuracy is required in the calculations this number should be reduced.
Min Outlet Pressure

The minimum allowable outlet pressure of the product material and cooling material ports can be set here. This
value is always entered in kPa units and can ensure no negative pressures are encountered in the operation
regardless of pressure drops provided.
Damping Factor
If there are problems solving the FTR operation this value can be set between zero and one to damp the solvers
internal step sizes.
Product Distributions
Once the FTR operation has been solved the ideal product distribution of the converted carbon monoxide is
provided in the “Distributions” tab. The paraffin’s listed go to C200, the olefin’s go to C100, and the alcohol’s go
to C50.
Fischer Tropsch Reactor Example

Overview
This example models a partial oxidation reformer (POX) with a Fischer-Tropsch reactor (FTR) downstream.
Also included in this example is a partial recycle of the FTR’s product vapors to increase overall conversion.

These components are used to represent all potential feed and product material streams within the flowsheet.
Note that product distribution errors in the FTR operation can be reduced by including higher hydrocarbon num-
ber paraffin, olefin, and alcohol species then shown below in this initial step.
POX and FTR Creation

With the property package information entered the “OK” button is pressed and the flowsheet creation can
begin. A partial oxidation reformer (POX) will be created first to produce the initial syngas that is fed into the
FTR operation with some addition hydrogen. A material stream given the name “Feed” is created as shown
below and connected to an Equilibrium Reactor operation.
The Equilibrium Reactor operation created is named “POX” and set as a full “Gibbs Reactor” type. This
reformer, which will be used to model the reformer, will run adiabatically and therefore the energy loss is set to
0.0 W. With a 50 kPa pressure drop also specified the operation should become fully solved and the outlet
material port is then connected to a Cooler unit operation.
This cooler operation will be given a pressure drop of 10 kPa and an outlet temperature of 40 C. The outlet
material from the cooler operation is connected to a separator in order to act as a water knock out vessel for
water content in the syngas stream. The image below shows the POX and cooler operation forms plus the cur-
rent overall flowsheet.
The current syngas coming from the separator “Sep1” alone does not contain a high enough H2/CO ratio for
use in a low temperature FTR. In order to obtain a higher ratio an auto thermal reformer configuration could
have been used, but instead a hydrogen makeup stream will be created for this example.
This material stream will be given a composition of 100% hydrogen and conditions of 3500 kPa and 40 C. The
mole flow rate will be set at 280 kgmole/h, which will provide the overall mixed syngas with a H2/CO ratio of
2.10.
When the original syngas material and hydrogen makeup streams are mixed and connected to the main feed of
a FTR operation the flowsheet should look similar to that shown below. The form for the hydrogen makeup
stream named “H2_Makeup” is also displayed.
In order to configure the FTR operation the “Main Data” frame values, kinetic parameters, recycle feed mater-
ial, and cooling medium material information must be provided. The “Estimate Kinetics” check box should be
used for this example with a “Cobalt” catalyst type so kinetics will be estimated automatically from the pressure,
temperature, and feed composition of the reactor.
The cooling medium in the FTR is specified as 100% water that is vaporizing 80%. With an inlet temperature,
pressure, and pressure drop given the flow rate of cooling water necessary for the overall energy balance is
back calculated.
Shown in the image below is the rest of the information necessary to solve this unit operation. Note that the
“RecycleIn” material port has been checked as a recycle port so this can later be connected to recycled mater-
ial.
The product material ports leaving the FTR operation can all be combined in a mixer with the initial solution of
the once through FTR complete. This mixer’s outlet material port is then connected to a cooler operation with a
pressure drop of 10 kPa and outlet temperature specification of 60 C.
A second separator is added to the flowsheet downstream of this cooler in order to separate the final products.
This separator should be a 3-phase separator so there are both water and hydrocarbon liquid streams exiting.
A mixer can be used to combine the dirty water leaving this secondary separator with the dirty water exiting the
initial knock out vessel. The flowsheet at this point in the example is shown below.
For recycle of vapor material leaving the product separator a splitter operation and compressor operation need
to be created. The splitter operation can be used to split 95% of the vapor product to the compressor for recycle
back to the FTR. The ratio of vapor product fed back to the FTR should be carefully monitored as to prevent
inert component build up.
The compressor can be given an adiabatic efficiency of 60% and outlet pressure of 3500 kPa. At this point the
outlet material of the compressor is ready to be fed back into the “RecycleIn” material port of the FTR. The
forms for the splitter and compressor should look similar to that shown below.
Before the recycled vapor product is connected the main flowsheet settings tab should be opened and the max-
imum number of iterations should be set to 200. With this complete the connection between the compressor
outlet and FTR can be made and the flowsheet should iterate to final solution.
The case study feature can also be used to find trends of products when different recycle ratios are used. An
example of this is shown below.
Hydrocracker
Hydrocracker
Main Flowsheet
PFD Stencil
Examples Reactors\HT-HCC.vmp
General
The hydrocracker (HCC) allows predictive trending of a matched moving or fixed bed catalytic hydrocracker.
This reactor unit is not considered part of the generally supported operations within VMGSim and requires a
special license option. HCC is a catalytic reactor, which converts low quality heavy oils from atmospheric or
vacuum distillation column or FCC and delayed coker units into clean burning gasoline, jet fuel and diesel and
kerosene. Two main reactions are involved in HCC: 1) catalytic cracking of heavy hydrocarbon into lighter
unsaturated hydrocarbon and 2) hydrogenation of new formed unsaturated hydrocarbon and hydrogenation of
any sulfur and nitrogen compounds present in feedstock. These compounds are converted to hydrogen sulfide
and ammonia. The reactions happen in three or four adiabatic reactors in series accompanied with hydrogen
injection into each stage. The overall model involves multi-stage catalyst bed vessel calculations including
optional ranges of kinetic based reaction slates. Catalyst deactivation is also tracked in this unit allowing for ser-
vice time run predictions and optimal operational conditions to be studies. The complete summary form is
shown below.
Note: For internal calculations the hydrogen entering this reactive unit should be split from the hydrocarbon
material and feed in through the HydrogenIn inlet material port.
Schematic
for the operation.
Summary
hydrocrackerr unit specifications need to be entered and general results are provided.
Main Data
The main data frame represents general information of the HCC layout geometry and process side reaction
model. The signal inputs are listed below.
Reaction Model
The PIONA based reaction models "Middle distillate (< C50)", "Heavy Gas Oil (< C80)", "Atm Resid (< C200 )"
and "Vacuum Resid (< C500 )" should be selected in typical situations where feeds such as Heavy Gas Oil are
encountered. In all situations a generic internal kinetic scheme is used and based off component atomic num-
show below.
being considered.
Bed Type
Either a fixed catalyst bed or moving catalyst bed can be selected here. This selection will affect internal unit cal-
culations such as deactivation profiles and pressure drop. When the fixed option is selected the Service Time
variable will also be available to give the current service time of the unit for catalyst deactivation considerations.
Service Time
This variable is only exposed and used for the fixed catalyst bed type option. The current service time of the unit
for when calculation are desired should be entered here. For a fresh catalyst bed the service time should be set
to zero.
Specify Bed T Inlet

This check box allows input of the inlet temperature for each stage in the Bed Detail tab. When selected the
quench hydrogen flow rates into each bed are determined with all remaining hydrogen entering the front end of
the unit. No hydrogen flow is given if the calculated temperature is already below the value specified.
Number of Beds
This signal port gives the total number of stages in the HCC unit. An extra stage should be added whenever
there is any change in catalyst bed diameters or a preheating section is introduced. This input value will determ-
ine the number of stage input columns available in the Stage Detail tab.
Recycle Preheat T
Temperature of preheated recycle H2 stream can be specified here.
Roughness Factor
Ambient Data
The ambient heat transfer of the overall HCC unit requires information about the surrounding environment. The
flowsheet level.
Wind Speed
Vessel Emissivity
1950).
Catalyst General Properties

This frame's variables are related to the catalyst data in the HCC unit's catalyst beds. Catalyst properties affect
process performance of the unit and the available variables to customize the unit to best match plant conditions.
These inputs are listed below.
Catalyst Shape
Packing
Diameter
Aspect Ratio
End Temperature
The end of run temperatures given for the HCC catalyst being used should be input here. These values will help
Catalyst Density
void fraction.
Catalyst Metal
the overall HCC unit. The catalyst type is broken into both metal type and support type and is considered bi-func-
tional. Among all hydrocracking reactions, dehydrogenation, hydrogenolysis happen on the metal sites and
cracking and isomerization happen on the acid sites of the catalyst. The catalyst metal types available include
combinations of Co-W, Co-Mo, Ni-W, Ni-Mo, Pt, Pd.
Catalyst Support(Acid)
The catalyst support types include Al2O3, SiO2- Al2O3, Zeolite and Al2O3-Halogens
Metal Acid Ratio

This parameter shows ratio of catalyst metal site to acid site.
Results
Overall results from the hyrocracker are provided within this area. All results are provided in signal ports that
can be connected to other flow sheet operations, including controller unit operations.
Recycle Preheat Q
Energy loss to the environment from the HCC catalyst bed vessels is shown here. This value represents the
Ambient Heat Loss

Energy loss to the environment from the HCC catalyst bed vessels is shown here. This value represents the
Initial Activity
Final Activity
WABT
Weight average bed temperature is the summation of the product of the fraction of catalyst in each reactor mul-
tiplied by the inlet temperature of that bed.
H2 Ratio
H2 ratio is defined as ratio of the total circulating gas into the reactor to the total feed to reactor. (Jones and
Pujadó, 2006).
Bed Void
O'Neill, 2005).
Bed Density
The overall bed density calculated from the input Catalyst Density and the process material density it given
here. Input Catalyst Density values should be altered to provide a specific bed density value if known..
Catalyst Weight
Material Ports
If Hydrocracke with internal HP and LP seperators and internal H2 recycle is selected, more material ports are
apperaed like Washwater, OffGas,SourWater and AcidGas
FeedIn
This material inlet represents the hydrocarbon feed entering into the hydrotreater catalyst bed.
HydrogenIn
The hydrogen entering the hydrotreater catalyst bed should be input through this material port. Internal cal-
culations based on hydrogen versus hydrocarbon flow rates will take into account mass flow specifically
through this port.
CatalystIn
This material inlet represents the catalyst flow rates entering the inlet of the HCC unit when Moving catalyst
Bed Type is selected.
WashwaterIn
This material outlet port contains the wash water leaving the HCC unit. (This explanation is valid for HCC with
internal hydrogen recycle and LP/HP separators)
ProductOut
The liquid and vapor phase product exiting the reactor is provided in this outlet material port. Pressure drop and
ambient heat loss plus heat of reaction and phase change will all be taken into account for process conditions
given here. Any material deposited on the catalyst will not be included in this outlet port. (This explanation is
valid for simple HCC without internal hydrogen recycle and internal LP/HP separators)
OffGasOut
This material outlet port contains the off Gas material leaving the HCC unit. (This explanation is valid for HCC
with internal hydrogen recycle and LP/HP separators)
CatalystOut
This material outlet port has the catalyst material leaving the HCC unit. This material will also include any coke,
sulfur, or metal accumulation on the catalyst that will not leave in the product. It’s assumed no catalyst will leave
with the product streams.
SourWaterOut
This materials includes the wash water with soluble components from the reactor effluent.(This explanation is
valid for HCC with internal hydrogen recycle and LP/HP separators)
AcidGasOut
This material outlet port has the Acid Gas material plus low light ends leaving the HCC unit as defined in the
component split inputs provided. This material will also include any sulfur, nitrogen gases. (This explanation is
valid for HCC with internal hydrogen recycle and LP/HP separators)
Bed/Recycle Detail
The details of any stages within the HCC unit can be specified here. These inputs include both preheat and cata-
lyst bed sections. An additional input column will be automatically created for each stage input through the Unit
Stages input variable. The ordering of the stages goes from the feed entering stage 1 first and exiting the
highest stage last.
If the Hydrocracker unit's internal H2 recycle and HP/LP separator option is selected, Recycle Detail and Res-
ults frame will be added into the Bed/Recycle Detail tab.
Recycle Detail
Compressor Efficiency
Efficiency of compressor being used to compress recycle gas should be input here.
Recycle Return T, P
This value will be the set point temperature(pressure) of recycle gas from sweetening section should be input
here.
HP Separator T, P
This value will be the set point temperature(pressure) of high pressure separator should be input here
LP Separator T, P
This value will be the set point temperature(pressure) of low pressure separator should be input here.
Treating H2S, CH4, C2H6, H2 Split

These values should be enter to specify the amount of H2S, CH4, C2H6, H2 that are spitted in sweetening sec-
tion.
Recycle Result
Compressor Q
The resulting compressor energy required to increase the pressure of the treated recycled hydrogen material
from HP separator pressure specified is shown here.
Return Cooler Q
The resulting cooler energy being calculated from required H2 recycle inlet T to the HCC is shown here.
HP Cooler Q
The resulting cooler energy being calculated from entered temperature of high pressure separator data is
shown here.
LP Cooler Q
The resulting cooler energy being calculated from entered temperature of low pressure separator data is
shown here.
Bed Detail
Hydrogen Feed Split/ Inlet T
Depending on checking Specify Bed T Inlets box, the fraction of inlet hydrogen to each stage can be specified
or the inlet temperature of each catalyst bed can be input here.
Height
The height of each catalyst bed in the HCC unit is input here.
Inside Diameter
This variable is the inner diameter of each catalyst bed in the HCC unit.
Outer Diameter
This variable is the outer diameter of each catalyst bed in the HCC unit. Heat flux calculations for ambient heat
Catalyst Detail/Stage
Catalyst Function
This drop down sets different predefined types of catalyst with different functionality for each stage, eg. Guard
catalyst for first stage with lower activity and main for middle stages. This option allows general tuning of each
stage's reactions without creating separate unit operations for each.
Guard (-1,-2,-3): activity of catalyst becomes lower and typically less stage temperature change
Cracking (+1, +2, +3): by increasing number, cracking reactions become stronger
Hydrogenation (+1, +2, +3): by increasing number, hydrogenation reactions become stronger
Catalyst Detail Per Stage

This check box at the top of the Bed/Recycle Detail frame enables defining different catalyst specifications for
each stage. This option provides opportunities to simulate HCC with different catalyst weight and geometries in
each stage. Please see Catalyst General Property’s section for parameters available after checking this box.
Bed Results Detail

Inlet T/Hydrogen Feed Split
Depending on checking Specify Bed T Inlets box, the inlet temperature of each catalyst bed will be provided
here or the fraction of inlet hydrogen to each stage will be available
Ambient Q
Quench Q
These values are the total energy exchanged in the inner sections of each stage to reach the desired inlet tem-
peratures. As reactions involved in hydrogenationreactions are exothermic, quenching at inlet of each stage is
required. Positive values are defined as heat gained to the process side.
Conversion
The conversion achieved in each stage is reported here. This value is defined with the same calculation as the
overall Conversion for the unit, but based on the composition as the exit of each stage.
Process Outlet T
Catalyst Outlet T
WABT
Weight average bed temperature is the product of the fraction of catalyst in each reactor multiplied by the inlet
temperature of that bed.
Outlet P
Bed DP
The process pressure drop within the overall HCC unit including both preheat and catalyst bed regions is given
here. The starting inlet pressure will be assumed as the lowest pressure of both the FeedIn and CatalystIn inlet
material ports. The pressure drop correlation used for the catalyst bed sections is the standard Ergun equation
(Ergun, 1952). If liquid phase is encountered in the reactor the liquid volume fraction is considered removed
void fraction in the catalyst bed.
Bed Volume
The total catalyst bed volume determined from all catalyst bed stage diameters and heights is provided here.
Catalyst Weight
Bed Void
O'Neill, 2005).
Bed Density
here. Input Catalyst Density values should be altered to provide a specific bed density value if known.
Catalyst Activity
This value shows the activity of the catalyst based on deactivation rates and the initial activity. For Moving cata-
lyst Bed Type this value is that of the catalyst leaving each stage. For Fixed catalyst Bed Type this value is the
WHSV
LHSV
Catalyst Detail
This tab contains all parameters related to HCC's catalyst. These inputs affect process performance of the unit
and the available variables to customize the unit to best match plant conditions such as catalyst properties, mul-
tipliers controlling catalyst deactivation and kinetics tuning variables controlling reactions that occur on the cata-
lyst.

See the Summary section, Catalyst Properties. If the Catalyst Detail per Stage is checked in Bed Detail, then
only End Temperature appears in Catalyst General Properties.
Deactivation Data
Deactivation of hydrocracking catalyst can happen through three different mechanisms: poisoning, sintering
and coking.
The feedstock impurities such as nitrogen and sulfur compounds and heavy metals like As, Pb cause catalyst
poisoning. Chemisorption of poisonous species on catalyst sites lead to blocking of sites for catalytic reactions.
The loss of activity in acid side occurs by coking and the loss of activity in metal side is caused by coking and sin-
tering. Coking is the loss of active surface area of catalyst due to blockage of sites with coke, which is produced
by decomposition or condensation of hydrocarbons on catalyst surfaces and typically consists of polymerized
heavy hydrocarbons. Sintering is the loss of catalyst active surface due to crystallite growth (sintering of metal)
and due to pore collapse(sintering of support) Sintering processes generally take place at high reaction tem-
peratures (T>500◦C) and are generally accelerated by the presence of water vapor. End temperature affects
sintering deactivation and typically is less than the entering temperature to the stages. (B. Viswanathan et. al.
2002 and C. H. Bartholomew 2001)
Mult Poison Deact

Mult Sinter Deact

Mult Coke Deact




Initial Activity
Final Activity





Light Ends
overall mass yield.
kinetic tuning variables, most common ones used in regression studies with plant data for HCC are PIONA
Cracking, PIONA Propagarion, N Cracking, A Cracking, A->N, N->O, O->P, Adsorb Acid, Adsorb Metal and
Kinetic App T.
Yields/Settings
trolling performance of HCC (heat transfer, yields) such as convection, pressure drop, coke formation and
applied can also be customized here
General Settings
Reaction Version
Profile Segments
Stiff Tolerance
Conv HTC Amb/Cat

Recycle Solver
Solve Tolerance
The error tolerance used for H2 recycle convergence confirmation for each iterative calculation within the oper-
ation is provided here.
Damping Factor
The damping factor for H2 recycle internal iterative calculations is entered in this parameter. The default value
given for this setting is optimized for general convergence speed and stability.
Max Iterations
This value represents the maximum iterations allowed for internal iterative calculations of H2 recycle con-
vergence.
Min/Max H2 Ratio
This value represents the minimum/maximum hydrogen to hydrocarbon ratio allowed for internal iterative cal-
culations.
PIONA Inclusion
PIONA Lumping
P/I/O/N/A
components).
Atomic Inclusion
O/S/N/V/Fe/Ni
PIONA Kinetics
Hydrotreater
Hydrotreater
Main Flowsheet
PFD Stencil
Examples Reactors\HT-HCC.vmp
General
The hydrotreater (HT) allows predictive trending of a matched desulfurization HDS and denitrogenation HDN
catalytic fixed bed reactor unit. This reactor unit is not considered part of the generally supported operations
within VMGSim and requires a special license option. Hydrotreater is an essential refinery process to remove
sulfur, nitrogen and aromatics through hydrogenation, hydrogenolysis reactions to prevent catalyst deactivation
in downstream units and to meet clean fuel specifications. The overall model includes the input of catalyst geo-
metry that drives heat transfer and momentum internal calculations that are layered on top of optional ranges of
kinetic based reaction slates. Catalyst deactivation is also tracked in this unit allowing for service time run pre-
dictions and optimal operational conditions to be studies. The complete summary form is shown below.
Note: For internal calculations the hydrogen entering this reactive unit should be split from the hydrocarbon
material and feed in through the HydrogenIn inlet material port.
Schematic
for the operation.
Summary
hydrotreater unit specifications need to be entered and general results are provided.
Main Data
The main data frame represents general information of the hydrotreater layout geometry and process side reac-
tion model. The signal inputs are listed below.
Reaction Model
The PIONA based reaction models "Middle distillate (< C50)", "Heavy Gas Oil (< C80)", "Atm Resid (< C200 )"
and "Vacuum Resid (< C500 )" should be selected in typical situations where feeds such as Heavy Gas Oil are
encountered. In all situations a generic internal kinetic scheme is used and based off component atomic num-
show below.
being considered.
Reaction Phase
Either a liquid or overall phase can be selected here. This selection will specify the phase that reactions occur
Specify Bed T Inlet

This check box allows input of the inlet temperature for each stage in the Bed Detail tab. When selected the
quench hydrogen flow rates into each bed are determined with all remaining hydrogen entering the front end of
the unit. No hydrogen flow is given if the calculated temperature is already below the value specified.
Service Time
The current service time of the fixed bed should be entered here for when calculation are desired. For a fresh
catalyst bed the service time should be set to zero.
Number of Beds
This signal port gives the total number of stages in the HT unit. An extra stage should be added whenever there
is any change in catalyst bed diameters or a preheating section is introduced. This input value will determine the
number of stage input columns available in the Stage Detail tab.
Roughness Factor
Ambient Data
The ambient heat transfer of the overall HT unit requires information about the surrounding environment. The
flowsheet level.
Wind Speed
Vessel Emissivity
1950).

This frame's variables are related to the catalyst data in the HT unit's catalyst beds. Catalyst properties affect
process performance of the unit and the available variables to customize the unit to best match plant conditions.
These inputs are listed below.
Catalyst Shape
Packing
Diameter
Aspect Ratio
End Temperature
The end of run temperatures given for the HT catalyst being used should be input here. These values will help
Catalyst Density
void fraction.
Catalyst Metal
the overall HT unit. The catalyst type is broken into both metal type and support type and is considered bi-func-
tional. Among all hydrotreating reactions, dehydrogenation, hydrogenolysis happen on the metal sites and
cracking and isomerization happen on the acid sites of the catalyst. The catalyst metal types available include
combinations of Co-W, Co-Mo, Ni-W, Ni-Mo, Mo, Pt and Pd.
Catalyst Support(Acid)
The catalyst support types include Al2O3, SiO2- Al2O3
Metal Acid Ratio

This parameter shows ratio of catalyst metal site to acid site.
Results
Overall results from the hydrotreater are provided within this area. All results are provided in signal ports that
can be connected to other flow sheet operations, including Controller unit operations.
Ambient Heat Loss

Energy loss to the environment from the HT catalyst bed vessels is shown here. This value represents the total
energy lost across all stages.
Desulfurization
The percent of sulfur based species that enter the hydrotreater that are converted into hydrogen sulfide is given
as this value..
Denitrogenation
The percent of nitrogen based species that enter the hydrotreater that are converted into ammonia is given as
this value.
Initial Activity
tivations: coking, sintering and poisoning on both metal and acid sites. For fixed bed, this value is the average
activity of the catalyst within all bed locations at the beginning of service time.
Final Activity
fixed bed, this value is the average activity of the catalyst within all bed locations at the end of service time.
H2 Ratio
H2 ratio is defined as ratio of the total circulating gas into the reactor to the total feed to reactor. (Jones and
Pujadó, 2006).
Bed Void
O'Neill, 2005).
Bed Density
Catalyst Weight
Material Ports
CrudeIn
This material inlet represents the hydrocarbon feed entering into the hydrotreater catalyst bed.
HydrogenIn
The hydrogen entering the hydrotreater catalyst bed should be input through this material port. Internal cal-
culations based on hydrogen versus hydrocarbon flow rates will take into account mass flow specifically
through this port.
ProductOut
The liquid and vapor phase product exiting the reactor is provided in this outlet material port. Pressure drop and
ambient heat loss plus heat of reaction and phase change will all be taken into account for process conditions
given here.
AccumulationOut
Material like metal content and coke formation that layers onto the catalyst is provided in this outlet port. The
amount of deactivation of catalyst will be partially related to the amount of overall AccumulatedOut material.
Bed Detail
The details of any stages within the HT unit can be specified here. These inputs include both preheat and cata-
lyst bed sections. An additional input column will be automatically created for each stage input through the Unit
Stages input variable. The ordering of the stages goes from the feed entering stage 1 first and exiting the
highest stage last.
Bed Detail
Hydrogen Feed Split/ Inlet T
The fraction of inlet hydrogen to each stage can be specified or the inlet temperature of each catalyst bed can
be input here if Specify Bed T Inlet in Main Data frame of Summary is checked.
Height
The height of each catalyst bed in the HT unit is input here.
Inside Diameter
This variable is the inner diameter of each catalyst bed in the HT unit.
Outer Diameter
This variable is the outer diameter of each catalyst bed in the HT unit. Heat flux calculations for ambient heat
Catalyst Detail/Stage
Catalyst Function
This drop down sets different predefined types of catalyst with different functionality for each stage, eg. Guard
catalyst for first stage with lower activity and main for middle stages. This option allows general tuning of each
stage's reactions without creating separate unit operations for each.
Guard (-1,-2,-3): activity of catalyst becomes lower and typically less stage temperature change
Cracking (+1, +2, +3): by increasing number, cracking reactions become stronger
Hydrogenation (+1, +2, +3): by increasing number, hydrogenation reactions become stronger
Catalyst Detail Per Stage

This check box at the top of the Bed/Recycle Detail frame allows to define different catalyst specifications for
each stages. This option provides opportunities to simulate HT with different catalyst weight and different cata-
lyst deactivation in each stage. Please see Catalyst General Property’s section for parameters available after
checking this box.
Bed Results Detail

Inlet T/Hydrogen Feed Split
Depending on checking Specify Bed T Inlets box, the inlet temperature of each catalyst bed will be provided
here or the fraction of inlet hydrogen to each stage will be available
Ambient Q
Quench Q
These values are the total energy exchanged in the inner sections of each stage to reach the desired inlet tem-
peratures. As reactions involved in hydrotreating are exothermic, quenching at inlet of each stage is required.
Positive values are defined as heat gained to the process side.
Conversion
The conversion achieved in each stage is reported here. This value is defined with the same calculation as the
overall Conversion for the unit, but based on the composition as the exit of each stage.
Process Outlet T
Catalyst Outlet T
WABT
Weight average bed temperature is the product of the fraction of catalyst in each reactor multiplied by the inlet
temperature of that bed.
Outlet P
Bed DP
The process pressure drop within the overall HT unit including both preheat and catalyst bed regions is given
here. The starting inlet pressure will be assumed as the lowest pressure of both the FeedIn and CatalystIn inlet
material ports. The pressure drop correlation used for the catalyst bed sections is the standard Ergun equation
(Ergun, 1952). If liquid phase is encountered in the reactor the liquid volume fraction is considered removed
void fraction in the catalyst bed.
Bed Volume
The total catalyst bed volume determined from all catalyst bed stage diameters and heights is provided here.
Catalyst Weight
Bed Void
O'Neill, 2005).
Bed Density
Catalyst Activity
This value shows the activity of the catalyst based on deactivation rates and the initial activity. For Moving cata-
lyst Bed Type this value is that of the catalyst leaving each stage. For Fixed catalyst Bed Type this value is the
WHSV
LHSV
Catalyst Detail
This tab contains all parameters related to HT's catalyst. These inputs affect the process performance of the
unit and the available variables to customize the unit to best match plant conditions such as catalyst properties,
multipliers controlling catalyst deactivation and kinetics tuning variables controlling reactions that happen on the
catalyst

See the Summary section, Catalyst Properties. If the Catalyst Detail per Stage is checked in Bed Detail, then
only End Temperature appears in Catalyst General Properties.
Deactivation Data
Deactivation of hydrotreating catalyst can happen through three different mechanisms: poisoning, sintering and
coking.
The feedstock impurities such as nitrogen and sulfur compounds and heavy metals like As, Pb cause catalyst
poisoning. Chemisorption of poisonous species on catalyst sites lead to blocking of sites for catalytic reactions.
The loss of activity in acid side occurs by coking and the loss of activity in metal side is caused by coking and sin-
tering. Coking is the loss of active surface area of catalyst due to blockage of sites with coke, which is produced
by decomposition or condensation of hydrocarbons on catalyst surfaces and typically consists of polymerized
heavy hydrocarbons. Sintering is the loss of catalyst active surface due to crystallite growth (sintering of metal)
and due to pore collapse(sintering of support) Sintering processes generally take place at high reaction tem-
peratures (T>500◦C) and are generally accelerated by the presence of water vapor. End temperature affects
sintering deactivation and typically is less than the entering temperature to the stages. (B. Viswanathan et. al.
2002 and C. H. Bartholomew 2001)
Mult Poison Deact

Mult Sinter Deact

Mult Coke Deact




Initial Activity
Final Activity
fixed catalyst bed Type this value is the average activity of the catalyst within all bed locations at the end of ser-
vice time.





Light Ends
overall mass yield.
kinetic tuning variables, most common ones used in regression studies with plant data for HT are PIONA Crack-
ing, PIONA Propagarion, A->N, N->O, O->P, DeS, DeN, Adsorb Acid, Adsorb Metal and Kinetic App T.
Yields/Settings
trolling performance of HT (heat transfer, yields) such as convection, pressure drop, coke formation and
applied can also be customized here
General Settings
Reaction Version
Profile Segments
Stiff Tolerance
Conv HTC Amb/Cat

Sulfur Species
The type and percentage of sulfur species in the product can be specified as Mercaptan wt%, Disulfide wt%,
thiophene wt% and benzothiophene wt%.
PIONA Inclusion
PIONA Lumping
P/I/O/N/A
components).
Atomic Inclusion
O/S/N/V/Fe/Ni
PIONA Kinetics
Fuel Cell
Fuel Cell
Main Flowsheet
PFD Stencil
Examples Rotating Equipment\SOFC_Turbine-Example.vmp
General
The fuel cell allows rigorous internal and overall predictive trending of a matched solid oxide fuel cell, photon
exchange membrane fuel cell, or solid oxide electrolysis fuel cell. The unit operation involves both process and
utility side calculations including a kinetically driven, or Gibbs minimization based, reaction slate. Fuel cell
options available allow parallel or cross flow configurations with either tube or channel based geometries.
Optional custom polarization curves and fuel cell material properties are also available to complete more spe-
cific sensitivity analysis simulation studies. The complete summary view of this unit is shown below.
Note: Utility side material should represent entering utility or sweep gas material. The composition of this utility
material will be used for internal gas emissivity calculations when determining radiant heat transfer.
Schematic
for the operation.
Cell Data
The cell data frame represents general information about the fuel cell geometry, flow configuration, and model
type. The signal inputs are listed below.
Ambient Heat Loss

Any heat loss from the fuel cell to the surrounding environment should be entered here. All heat loss in the tube
configurations will be taken from the utility side where the plate configuration will remove the heat loss specified
evenly between the process and utility sides together.
Note: Coolant stream heat exchange duty for PEM models can use this heat loss port to complete overall equi-
valent energy balances for the fuel cell unit. In these setups the energy will be removed evenly along the length.
Fuel Cell Model

This parameter specifies the type of fuel cell being modeled. The selections include solid oxide fuel cells
(SOFC), photon exchange membrane fuel cells (PEM), and solid oxide electrolysis cells (SOEC). The general
summary of these selection types is shown below.
Fuel Cell Type Mobile Ion Operating Temperatures

Proton Exchange Membrane (PEM) H+ 30 - 100 C
Solid Oxide Fuel Cell (SOFC) O2- 500 - 1000 C
Solid Oxide Electrolysis Cell (SOEC) O2- ~850 C
Exchange Type
Both tubular and plate channel style fuel cells can be modeled rigorously within flow sheets. This variable selec-
tion sets the current exchange type being considered. The configuration of these options and main variable
definitions associated with them are shown below with the Tubular option on the left hand side and Plate option
on the right hand side.
Flow Configuration
In order to define the direction of flow between the process fuel and utility side this variable should be set to the
appropriate option. Depending on the flow configuration specified the internal solution profiles will be calculated
with different temperature approaches. When in cross configurations the utility side will be assumed at an aver-
age overall bulk temperature as apposed to the parallel flow option where the utility side will have a changing
temperature profile versus length of the process fuel side plate channels or tubes.
Cell Width/Depth/Diameter
The fuel cell dimensions are defined through these variable entries. The Cell Diameter is only required when
the Flow Configuration variable is set to a Cylindrical flow option. When in Rectangular configuration the Width
variable is considered the distance perpendicular to utility cross flow and the specified number of tube or chan-
nel rows.
Number of Utility Channels

This variable is only exposed when Plate exchange type fuel cells are chosen. In these scenarios the total num-
ber of utility channels within the fuel cell are defined here. Warning messages will appear in the unit operation's
status message if too many channels are entered for the fuel cell's overall dimensions.
Utility Channel Width/Depth

This variable is only exposed when Plate exchange type fuel cells are chosen. The width and depth of each
channel can be defined assuming support thickness between channels are evenly spaced within the overall fuel
cell dimensions.
View Factor
The average geometric view factor for the fuel cell’s radiant heat transfer calculations is entered here. This
value represents the fraction of the tube or channel surface area that is fully exposed to and absorbs radiant
heat from the utility side.
Tube Emissivity
The emissivity of the fuel cell tubes or channels is entered in this signal port for internal radiant heat transfer
calculations. An example would be an emissivity of 0.79 for an oxidized steel at ~600 C (Hewitt, Shires, and
Bott, 1994).
Roughness Factor
The roughness factor inside the tubes or channels can be entered in this signal port. This entry can be used to
model tube conditions in order to match pressure drops across the process side. Initial estimates for the rough-
ness factor for different types of material can be found in literature (Mokhatab, Poe, and Speight, 2006).
Fouling Factor
In order to match fouling caused by coking in the fuel cell this parameter can be used to adjust the heat transfer
contributions. The fouling factor is used in addition to the overall convective heat transfer coefficients cal-
culated.
Tube/Plate Data
The geometry and details of the tubes or plate channels within the fuel cell are defined in this frame's variables.
In addition, details regarding the electrolyte layer materials and thickness are also available for input.
Total Number of Tubes/Channels

The total number of process fuel side channels or tubes within the fuel cell is defined here. If the overall fuel cell
dimensions cannot support the specified number of tubes or channels warning messages will be given.
Tube Length/Inside Diameter/Outside Diameter

When a Tubular exchange type fuel cell is selected the length, inside diameter, and outside diameter of a single
tube is defined through these variables. If the outside diameter and all layer thickness are specified the inside
diameter will be calculated.
Channel Length/Width/Depth
When a Plate exchange type fuel cell is selected the length, width, and depth of a single channel can be defined
through these variables. All layer thickness need to be defined along with all channel dimensions for Plate
exchanger type fuel cells.
Support (GDL)/Anode/Electrolyte (Membrane)/Cathode Material

For conductive heat transfer consideration the materials used to construct the fuel cell can be defined through
these variables. The selection of material will not effect the generated voltage or efficiency of the overall unit
unless the "Calculate Voltage" check box in the "Settings" tab is selected. In these situations the ohmic res-
istance with respect to the material layer temperature will be calculated based off literature trends (H. M.
Ahmad and D. Greig, 1974) (V. I. Rudnev, D. Loveless, R. Cook, 2002) (C. Y. Ho and T. K. Chu, 1977) (Y.
Nishi, S. Iizuka, M. C. Faudree and R. Oyama, 2012) (H. Bohrk, P. Leschinski, T. Reimer, 2013) (T. A.
Baeraky, 2004) (Q. Li, T. Xiaa, X.D. Liu, X.F. Ma, J. Menga, X.Q. Cao, 2007) (Q. G. Zhang, X. Zhang1, B. Y.
Cao, M. Fujii, K. Takahash, and T. Ikuta, 2006) (J.K White, S.D Woods, 1958).
The "CUSTOM PROPERTIES" option can be selected in the material list if custom properties for a layer mater-
ial is desired and the thermal conductivity plus ohmic resistance can be entered in the "Settings" tab in the "Cus-
tom Layer Property Input" frame that will appear.
Support (GDL)/Anode/Electrolyte (Membrane)/Cathode Thickness

Thickness of the different layers within the fuel cell are defined using these variables. As shown below the elec-
trolyte layer should be considered a combination of the catalyst layers and membrane for PEM modeled fuel
cells. When the Tubular exchange type option is selected the Support Thickness does not get specified if the
tube inner and outer diameters are also both specified.
Results
Overall results from the fuel cell are provided within this area. All results are provided in signal ports that can be
connected to other flow sheet operations, including Controller unit operations.
CH4 Conversion
This value is calculated as the conversion of methane from the inlet to outlet of the reactor due to reforming reac-
tions if applicable. Other feed components that are reacted are not included in this calculation and usually only
SOFC type models will make use of this calculation.

The calculated pressure drop through the process fuel tubes or channels is provided through this variable. Val-
ues are based off the internal calculations as completed inside VMGSim’s Pipe operation. This value does not
include distribution head pressure drops and those should be added separately in the flow sheet level. For plant
matching exercises the Roughness Factor variable in the Cell Data frame can be used to adjust pressure drops
calculated. In addition, the pressure drop correlation used in this calculation can be adjusted using the Process
dP Correlation variable in the Settings area.
Utility Pressure Drop

Pressure drop through the utility side is calculated or specified here. If a specified value is desired the Utility DP
Mode variable in the Settings area of the fuel cell unit should be set to Specified. At that point a value can be
entered directly for this variable and will be taken as the specified value assuming a linear dP across the utility
side.
Max Temperature
The maximum tube or channel temperature is provided for metallurgical considerations within the reactor. This
temperature is calculated at the hottest location along the surface area in the fuel cell.
Outlet Temperature
The outlet process temperature of the fuel cell is provided in this location. This result is available as a signal port
for use in controller setups within the flow sheet if desired.
Overall U
The average calculated heat transfer coefficient of the fuel cell is given through this variable. Rigorous heat
transfer coefficients along the lengths of the tubes or channels are used internally and can be viewed in the pro-
files area.

This area is calculated as the surface area on the process fuel side that is exposed to the electrolyte layers. If
cross flow in Plate Exchange Type setups is selected the exposed surface area where both process and utility
side material contacts the electrolyte layers will be slightly lower than the value calculated.
Utility Side HTC

The average utility side heat transfer coefficient predicted through convective heat transfer calculations is
provided in this variable. Internal heat transfer calculations will use a rigorous utility side heat transfer coefficient
at every point of length down the tubes or channels.
Cell Heat Exchange

The total energy that is transferred between the process and utility side is displayed here. This value includes
both radiant, conductive, and convective heat transfer considerations.
Fuel Cell Efficiency

The efficiency calculated for the overall fuel cell is determined as the ratio between DC power generated, or
used (for SOEC models), over the total heat of formation energy change at standard conditions of the involved
electrolyte material reacted.
Cell Power DC
The DC power generated from the overall fuel cell is provided in this variable. An extra conversion efficiency
should be considered if adjusting this power to AC. The energy related to the electrolyte based reactions that is
not generated as DC power will be accounted for in heat gain within the fuel cell.
Fuel Cell Voltage

When the "Calculate Voltage" option is selected in the "Settings" tab this variable becomes visible and gives the
voltage coming from a single fuel cell stack. If known voltage values from current density within a fuel cell unit is
known the polarization curve coefficients within the "Settings" tab can be used to match data.
Avg Current Density

The average current density within the fuel cell is provided here. This value is provided in A/cm2 units and
should balance the resulting power and cell voltage through the equation:
Power DC [W] = Current Density [A/cm2] * Surface Area [cm2] * Voltage [V]
Material Ports
In
This material inlet represents the process fuel entering the fuel cell. Volumetric flow rates should be checked to
ensure good residence time within the process tubes or channels defined.
Out
Process material exiting the unit is placed in this material port. If applicable, resulting CH4 Conversion reported
will be based on these “In” to “Out” material ports.
UtilityIn
The air, oxidant, or sweep gas used in the utility side of the fuel cell is defined in the this material port.
UtilityOut
Information regarding the cooled or heated utility material exiting the fuel cell will be provided in this material
port. Care should be taken to ensure the temperatures of this material is not too high or low due to energy bal-
ances coming from the DC power generated.
Settings
Rxn Solver
The fuel cell can be solved using the predefined kinetic equations as defined in the follow sections, or based off
a Gibbs minimization reaction scheme. This setting will determine exposed variables in the Settings area avail-
able to tune the fuel cell for rates and extents of reactions.
Include Carbon
If carbon formation predictions are desired in the fuel cell model this variable should be selected. Once selected
an addition Carbon Parameters frame will be visible in the Settings area where the specific carbon based kin-
etic reaction rates can be tuned. Usually SOFC models with hydrocarbon reforming will require these optional
reactions.
Note: A Carbon component must be added to the flow sheet in order to run a fuel cell with this option selected.
Calculate Voltage
If selected this option allows for input of polarization curves into the fuel cell unit. Variables related to the cell's
voltage calculation become visible and fuel cell power DC generation and efficiency is now calculated rigorously
based on the polarization curve and the material layer thicknesses and ohmic resistance values.
Solver Type
The solver types available are AutoSelect, Segmented, and Simultaneous. The AutoSelect will chose Sim-
ultaneous for kinetically driven reaction setups and Segmented for Gibbs driven reaction setups. The Sim-
ultaneous solver solves the mass transfer equation within the fuel cell unit simultaneously with the heat,
momentum, and reactive equations. Due to this the number of Reaction Zones selected will not effect the over-
all solution results. The Segmented solution completes a mass transfer step at the beginning of each reaction
zone and is usually not recommended for kinetically driven reaction setups due to the loss of accuracy.
All Vapor Phase

This option should be selected if it is known there will only be vapor phase in the process and utility side of the
fuel cell unit. When selected this option will turn off internal stability checks for liquid phases appearing and can
potentially half solution times. This option is not available for the PEM fuel cell model option.
Reaction Zones
The number of calculation segments within each fuel cell is provided here. More reaction zones should be
chosen for faster reaction conditions and longer tube or channel lengths. A minimum of 25 reaction zones
should be kept for accuracy purposes if the Segmented Solver Type has been selected. It is further recom-
mended that SOEC models use additional reaction zones if using the Segmented Solver Type due to com-
plexity of the integrated ambient waste heat usage which is associated with the more common processes.
Conv HTC
This value can be adjusted for tuning of the process fuel side convective heat transfer term calculated internally
within the unit. This terms does not effect radiant heat transfer contributions directly within the heat transfer cal-
culations.
Conv HTC Utility

This value can be adjusted for tuning of the utility side convective heat transfer term calculated internally within
the unit. This terms does not effect radiant heat transfer contributions directly within the heat transfer cal-
culations.
Process dP Correlation
If a specific pressure drop correlation is desired for the process tube side it can be selected here. The pressure
drop correlations are the same as found in the Pipe Segment operation. It is recommended in most Fuel Cell
process conditions that the Laminar correlation is used, but Reynolds numbers can be checked to confirm the
best suited pressure drop correlation for use.
Process Min Outlet P [kPa]

The minimum allowable pressure at the inlet or outlet of any reaction zone can be specified here. A warning will
calculations.
Utility DP Mode
This parameter can be used to determine if a calculated utility side pressure drop is to be used, or a specified
value will be entered. A linear pressure drop will be assumed through the utility side if this variable is set to Spe-
cified.
Tolerance
provided here.
Stiff Tolerance
The error tolerance used within the adaptive stiff simultaneous solver option can be adjusted here. This tol-
erance will not effect overall utility side temperature zone iteration tolerances and is only applied to the internal
profile calculations.
Damping Factor
The damping factor for internal iterative calculations is entered in this parameter. The default value given for
this setting is optimized for general convergence speed.
Max Iterations
Solution Method
The solution method used for kinetic reactions within the reactor tubes can be specified here. Options include a
4th order Runge Kutta, Euler, implicit Euler, Adaptive, or GearStiff method. If the kinetic Rxn Solver is selected
it is recommended to use either the Adaptive or GearStiff method for best accuracy due to the fast reforming
reactions versus ones such as the water-gas shift.
Reaction Version
Upgrades to internal reaction kinetics and internal pressure drop accommodation to improve out-of-the-box pre-
dictions prior to tuning with experimental data is selected with this parameter. Old flowsheets created will keep
the original reaction version setting so new upgrades will not cause changes in situations where potential tuning
has already been completed.
Internal Voltage Curve Checker

This frame and associated variables only appear when the "Calculate Voltage" option has been selected within
the fuel cell. Once values are provided for the frame's temperature and current density inputs the resulting
voltage will be provided. Case studies can be created to confirm expected polarization curve shapes.
Note: The feed conditions for both the utility side and process side are required for the resulting voltage in this
frame to be calculated, but the whole fuel cell does not need to be defined and while unsolved this value will be
calculated much quicker.
Tuning Parameters
These tuning parameters represent the frequency factor, A, and activation energy, E, for the forward and back-
ward main reactions within a fuel cell. All kinetics are set to default values internally that match general equi-
librium trends and these tuning parameter variables are used to adjust the A and E values on a logarithmic
scale as shown in the below equation.
Note: Resulting negative A and E values from data regression are acceptable due to the logarithmic tuning.
A/E FuelCell-Fwd/Back
2H2 + O2 <-> H2O
These tuning parameters adjust the main reaction occurring across the fuel cell electrolyte layer. The reaction is
handled similarly for either H+ or O2- mobile ion fuel cell models.
A/E Reform-Fwd/Back
CH4 + H2O <-> 3H2 + CO
Methane reforming to generate hydrogen, generally used in SOFC applications, is modeled through this reac-
tion.
A/E Shift-Fwd/Back
CO + H2O <-> CO2 + H2
The water-gas shift reaction and approach to equilibrium conditions is accounted for through this reaction.
Gibbs appT
When the Gibbs Rxn Solver option is selected this variable is available to set the overall approach temperature
for the Gibbs minimization. Values given should always stay positive for approach to equilibrium when tuning to
data.
Max Gibbs dT
When the Gibbs Rxn Solver option is selected this variable sets the maximum amount of temperature change in
one reaction zone within the fuel cell due to heat of reaction. This maximum temperature change allowed per
zone does not account for heat exchanged or power loses.
kMass O2/H2
The mass transfer rate of the applicable mobile ion can be defined through these variables. The O2 or H2 vari-
able should be used depending on the Fuel Cell Model selected. The overall mass transfer equation's driving
force is assumed as the partial pressure difference of the mobile ion species between the process fuel and utility
side.
DC coeffA/B/C
DC = coeffA + (coeffB * density) + (coeffC * density2)
The DC power generated by the fuel cell can either be specified in the Result variable Cell Power DC or it will
be calculated along the length of the tubes or channels through the above formula accounting for current dens-
ity. In SOEC model situations a negative value should be given to the Cell Power DC if these coefficient values
are not entered. In any fuel cell model type these DC coefficients should be entered as positive values when
used.
I vs V coeffA/B1/B2/C/D1/D2(_T)
V = [A] - [B1 * (1 - (1 / exp(I / B2))] - [C * I] - [D1 * exp(I / D2)]
where: A = coeffA + (coeffA_T * LayerTemperature)
The polarization curve voltage equation is defined through these coefficients as shown above. The four terms of
the equation relate to the (1) reversible voltage, (2) activation loss, (3) ohmic loss, and (4) concentration loss.
Defaults were set to give reasonable results for both lower temperature PEM units and higher temperature
SOFC units.
Note: The Regression tool can be used effectively to determine these coefficient values for specific data when
combined with the variables found in the "Internal Voltage Curve Checker" frame.
Carbon Parameters
These logarithmic kinetic tuning parameters (similar to the previous section) are used for the carbon formation
predictions in the process fuel side of the fuel cell if selected using the Include Carbon variable. These kinetics
are most applicable to SOFC models where reforming of hydrocarbons is occurring in the front end of the tubes
or channels (Nikooyeh et al., 2007 & 2008).
A/E Boud-Fwd/Back
2CO <-> C + CO2
The boudouard reaction that creates carbon deposition on surfaces at lower temperatures due to the dis-
proportionation of carbon monoxide is predicted through this reaction.
A/E Sooting
CH4 -> 2H2 + C
This irreversible reaction simulates the dissociation of hydrocarbons on surfaces within the fuel cell while cre-
ating carbon and hydrogen.
A/E Steam
C + H2O -> CO + H2
The removal of carbon formation on surfaces through steam can be accounted for through this reaction path-
way.
A/E Oxidize
C + O2- -> CO + 2e-
Carbon deposition can also be removed by being electrochemically oxidized to create carbon monoxide, which
is modeled with this reaction.
Custom Layer Property Input

This frame contains custom property inputs for any material layer in the fuel cell selected with material
"CUSTOMER PROPERTIES". The thermal conductivity is always required while the ohmic resistance will only
be requested if the "Calculate Voltage" option is selected. Detailed flowsheet calculations of these properties
can be completed outside the fuel cell and connected to these variable inputs if required.
Fuel Cell SOFC Example

Overview
This example section describes the initial configuration of a solid oxide fuel cell (SOFC) in the flow sheet shown
below. The full flow sheet example follows descriptions as detailed in the paper by Ola Maurstad et al., (2006)
of a combined SOFC and turbine power system. Specifically this configuration models the process con-
figuration when combined with an afterburner for CO2 capture.

These components are necessary to account for all reactions occurring within the pre-reformer and fuel cell
operations.
Process components:- OXYGEN- NITROGEN

- ARGON- HYDROGEN
- CARBON MONOXIDE- CARBON DIOXIDE
- WATER- METHANE
- ETHANE- PROPANE
- n-BUTANE- n-PENTANE
Flowsheet Setup
A feed material stream to represent a natural gas stream can be created first and given a temperature of 15.0 C
and pressure of 5000 kPa. The flow rate will be specified as 2268.0 kg/h with a composition of: Nitrogen = 0.9
mol%, Carbon Dioxide = 0.7 mol%, Methane = 82.0 mol%, Ethane = 9.4 mol%, Propane = 4.7 mol%, n-Butane
= 1.6 mol%, and n-Pentane = 0.7 mol%.
This natural gas stream will pass through the shell side of a heat exchanger where it will be pre-heated to 556.0
C with a 150.0 kPa pressure drop using eventual turbine exhaust gas on the tube side as a heat source.
A mixer unit operation will then be used to mix this fresh natural gas feed with recycled material that has been
recompressed after being pass through the main SOFC. The recycled material can be given an initial tem-
perature of 1020.0 C and a pressure of 1000 kPa. The recycled flow rate can be estimated at 16000.0 kg/h with
a composition of: Hydrogen = 10.0 mol%, Carbon Monoxide = 10.0 mol%, Carbon Dioxide = 25 mol%, and
Water = 55 mol%. An image of these current unit operations is shown below.
An Equilibrium reactor set to “Reactor Type = Gibbs” can be created and named “PreReformer” in order to
properly model the conversion of heavier hydrocarbons to methane in the feed gas. The removal of these heav-
ier components is important for longevity of the fuel cell unit. The heat loss can be set to zero assuming an adia-
batic reactor and a pressure drop across the reactor's catalyst bed of 50 kPa can be specified.
With the process side feed of the main SOFC unit now defined the air side needs to be included in the flow
sheet. A material stream called Air can be created with a temperature of 15.0 C and a pressure of 1.0 atmo-
sphere. The flow rate can be set to 59616.0 kg/h with a composition of: Oxygen = 20.72 mol%, Nitrogen =
77.38 mol%, Argon = 0.90 mol%, and Water = 1.00 mol%.
This air will then be brought to the appropriate process pressure with a compressor unit operation. The outlet
pressure can be specified to 979.0 kPa with a polytropic efficiency specification of 87.5 %. After the com-
pression the air will be split to allow for fresh air feed into the afterburner unit operation. To complete this a split-
ter operation should be added and given an outlet flow fraction of 0.3345.
The 66.55% of total air from the splitter going to the main fuel cell will be preheated with depleted air from the
afterburner. A heat exchanger can be created and the air can be passed through the shell side and given an out-
let temperature of 506.0 C and pressure drop of 29 kPa. An image of unit operations dealing with the main air
supply to this point is shown below.
A fuel cell unit operation can be created in the flow sheet with both the process and utility side feeds now
defined. Once added the feed ports should be connected accordingly and the unit summary view should be
opened.
Since this fuel cell is a parallel plate channel configuration the Cell Data frame Exchange Type variable should
be set to Plate and the Flow Configuration variable should be set to Parallel Rectangular. At this point the vari-
ables exposed in the input frames should have automatically changed to allow channel geometries to be
entered.
The total width and height of the fuel cell operation can be set by entering a Cell Width = 3.5 m and Cell Depth =
3.5 m (the fuel cell height will be defined by the length of the process channels). The utility side channels can be
defined by specifying Number of Utility Channels = 20000, Utility Channel Width = 0.907 cm, and Utility Chan-
nel Depth = 0.75 cm. The number of utility channel rows will be set equal to the number of process channel
rows specified. Additionally, for this specific case the Utility Pressure Drop is specified to 46 kPa.
Lastly, the Cell Data frame requires information related to heat transfer occurring within the fuel cell. If no radi-
ant heat transfer considerations are desired a View Factor = 0.0 could be entered, but in this case a View
Factor = 0.75 and Tube Emissivity = 0.82 is given to allow for some radiant considerations towards the overall
energy exchange. The Fouling Factor = 0.0 can be set, which assumes a clean non-fouled surface within the
fuel cell. With this last specification the Cell Data frame should look similar to the image below.
For the Plate Data of the fuel cell the Total Number of Channels = 20000 so there are an equal number of
matching utility and process channels. The Number of Rows = 200, which indirectly defines 100 process chan-
nels in each row. The rest of the process channel dimensions can be defined with Channel Length = 3.5 m,
Channel Width = 0.907 cm, and Channel Depth = 0.13 cm. To finish the fuel cell summary input data a Support
thickness = 0.1 cm can be specified. With all of these inputs entered the Plate Data frame should look similar to
the image below. The fuel cell at this point should also solve since all inputs required have been provided.
When comparing the results of the fuel cell to those from the literature at this point the amount of oxygen
passing through the electrolyte layer from the calculated exposed surface area and the produced DC voltage
does not represent those of the expected values. Using either trail and error, external controllers, or the built-in
VMGSim regression tool the tuning parameters in the fuel cell's Setting area can be adjusted to match expect-
ations. The variables specifically altered will be kMass O2 = 1.52, DC coeffB = 0.797, and DC coeffC = 0.0. At
that point trends should better represent the fuel cell at running conditions around those currently specified and
the Settings area should look similar to the below image.
At this point the overall flow sheet with the main SOFC solved, which represents the extent of this example
manual section discussion, should look similar to the PFD image below. The full VMGSim example case
"SOFC_Turbine-Example.vmp" can be found in the Documentation folder.
Results
Overall fuel cell performance can now be compared to that of the values provided in the reference paper.
Below is a summary table of the key fuel cell results. By adjusting tuning parameters further in the Settings tab
these results can be matched more exactly to the paper's values, but the full flow sheet should first be com-
pleted and the recycled SOFC material converged to more exact values.
Paper VMGSim
Process Outlet T [C] 1000.0 999.1
Utility Outlet T [C] 1000.0 985.8
Process Outlet Flow [kg/h] 25668.0 25703.2
Utility Outlet Flow [kg/h] 32364.0 32367.3
Process Outlet CO [mol%] 9.20 9.97
Process Outlet H2 [mol%] 10.90 9.85
Utility Outlet O2 [mol%] 5.10 4.93
The internal profiles within the fuel cell can also be examined in the Profiles and Plot areas in addition to the Res-
ults frame overall data in the Summary view. Two specific profiles that help detail the reforming reactions occur-
ring within the front end of the fuel cell are the temperature and CH4 conversion profiles. As shown in the plots
below the temperature decrease in the beginning region corresponds to the endothermic reaction converting
methane into the required hydrogen for the main fuel cell reaction.
If the temperatures in the front end of the fuel cell are low enough that carbon formation becomes a concern the
Include Carbon check box in the Settings area of the fuel cell can be selected and Carbon added to the list of
flow sheet components. If default carbon formation kinetics are used the resulting Carbon Mole internal profile
can be seen in the fuel cell Plot area image below. From this profile one can see the higher carbon formation on
the anode in the lower temperature region. Addition of more process feed steam, or more recycling of non-
hydrocarbon materials into the front end of the fuel cell can be studied to further refine this carbon formation if
required.
Reference
O. Maurstad, R. Bredesen, O. Bolland, H. M. Kvamsdal, and M. Schell, “SOFC and Gas Turbine Power Sys-
tems - Evaluation of Configurations for CO2 Capture”, (2006).
Plasma Gasification
Plasma Gasification
Main Flowsheet
PFD Stencil
Examples Reactors\PlasmaGasification.vmp
General
The plasma gasification unit operation can be used to simplify the process of completing a material and energy
balance around a single or multiple plasma phase gasification units. This operation completes an atomic bal-
ance on elements detailed within this manual section and takes into account enthalpies of formation around
feed to product slates.
The inlets and outlets available to this operation do not all need to be used, but information regarding the
product distribution does need to be known in order to generate a solution. In addition, an accurate char-
acterization of feeds entering this unit operation is necessary when not already defined from within VMGSim’s
pure component slate. The complete summary form is shown below.
Note: If entering material streams are not used within the plasma gasification operation they should be fully
defined and zero flow specifications provided.
Schematic
for the operation.
The actual locations of the material and energy inputs for calculations are shown below. The freeboard section
volume is colored grey and the reactor slag bed section is colored red. Note that the oxidant and steam feeds
can be split using the “Oxidant To Reactor Bed” and “Steam To Reactor Bed” parameters available in the “Main
Data” frame.
Main Data
The main data frame represents general information related to the single or multiple plasma gasification react-
ors represented in this unit operation. The signal inputs are as below.
Plasma Duty
This parameter specifies the total plasma duty supplied to all reactors. If left as zero the only heat generation in
this unit will be provided by the exothermic reactions taking place.
Internally this duty is combined first with the material specified in the “TorchAirIn” material port before entering
the slag bed region of the reactors.
Freeboard Heat Loss

The energy lost in the freeboard region within this unit operation is reported in this signal port. This value can be
specified or calculated by this unit depending on the solution scheme set up.
The temperature difference for the heat transfer calculations in this region are based on the ambient tem-
perature provided and average freeboard temperature.
Bed Heat Loss

The energy lost in the slag bed region within this unit operation is reported in this signal port. This value can be
specified or calculated by this unit depending on the solution scheme set up.
The temperature difference for the heat transfer calculations in this region are based off the ambient tem-
perature provided and bulk slag bed temperature (Bottom Temperature).
Delta Pressure
This signal port gives the pressure loss of the process material through all plasma gasification reactors rep-
resented by the unit operation. This pressure drop value applies to all exiting streams in the operation including
the bottom and top reactor sections. If one of the outlet material port pressure variables is given this pressure
drop signal port will be back calculated.
Bottom Temperature
The bottom temperature of the gasification reactors, whether calculated or specified, is provided in this signal
port. This temperature will also set the temperature of the exiting slag and liquid metal material streams.
Care should be taken that this temperature rises to the appropriate level for proper vitrification. A minimum tem-
perature of 1500 C (2732 F) is usually suggested (Carabin and Gagnon, 2007).
Top Temperature
The top temperature of the freeboard region is provided in this signal port. Similar to the bottom temperature
signal this value can be either provided or calculated depending on the solving scheme setup.
It should be noted that reactions taking place outside this unit operation should be accounted for downstream of
the freeboard region if top temperatures are too high. Reactions such as the Boudard reaction can continue if
immediate cooling does not take place.
Note: Usually water quenching takes place in these situations where the raw gas temperature is brought down
to roughly 75 C. This minimizes the formation of dioxins, furans, and other organic components (Moustakas et
al., 2005).
Oxidant To Reactor Bed

The fraction of material specified in the “OxidantIn” material inlet port that goes into the bed section. The rest of
this material is assumed to enter the freeboard section.
Steam To Reactor Bed

The fraction of material specified in the “SteamIn” material inlet port that goes into the bed section. The rest of
this material is assumed to enter into the freeboard section.
Heat Transfer
Heat transfer calculations that take place in the reactor’s slag bed and freeboard regions can be included in this
operation’s solution scheme. Reactor surface area, heat transfer rates, ambient temperatures, and volumes
for residence time calculations can all be entered here.
The heat loss will be calculated if the reactor region’s surface area per reactor, ambient temperature, and heat
transfer rate are given. Similarly, the heat transfer rate will be calculated if the heat loss is specified and only the
heat transfer rate is missing from these values. The surface area and heat transfer rate can be ignored in the
reactor slag bed region and only a bulk temperature can be provided for quicker calculations in this operation,
which ignores resulting carbon-based kinetic heats of reaction.
Number Of Reactors
The number of plasma phase gasification reactors that are modeled within this unit operation can be specified
here. The recommended number of reactors based on constraints provided in the “Internal Constraints” frame
can be found under the “Internal Calculations” frame as “Calculated Number Of Reactors”.
Freeboard Volume per Reactor

The volume of the freeboard region in each reactor within this unit operation is specified here. This volume
should not account for the slag bed region and should begin immediately above the solid and liquid materials in
the molten slag. This volume calculates the residence time for reaction kinetics taking place based off the
internal volumetric flows determined.
Freeboard Area per Reactor

This signal port holds the surface area in the freeboard region per reactor. Being a signal port, this surface area
can be calculated externally in the flowsheet based off the freeboard volume given, if desired. The area given is
used in the heat transfer calculation that takes place if enough information is provided.
Freeboard U
Similar to the area signal port described above, this U value for the freeboard region is used in the heat transfer
calculations of this unit operation and provides the heat transfer rate.
Theoretical Bed Volume per Reactor

The volume of the slag bed region in each reactor within this unit operation is specified here. This volume only
accounts for the area where solid phase reactions should be occurring in the molten slag. This volume cal-
culates the residence time for reaction kinetics taking place based on the internal volumetric flows determined in
this region.
The volume of the reactor bed section will have direct effects on the bottom temperature calculation if this value
isn’t specified directly and the other heat transfer signal ports for the bottom region are entered. The main
reason for this is it will determine the extent of solid phase reactions taking place.
Bed Area per Reactor

This signal port holds the surface area in the slag bed region on a per reactor basis. The area given is used in
the heat transfer calculation that takes place if enough information is provided.
Bed U
Similar to the area signal port described above, this U value for the slag bed region is used in the heat transfer
calculations of this unit operation.
Ambient Temperature
This signal port should be used to specify the ambient temperature that is used in the heat transfer calculations
for the top and bottom regions.
Kinetic Parameters
When using the plasma gasification operation there are two settings available for calculation of the product
slate. The first option is a Gibbs minimization reaction model that predicts the slag and the raw gas product
streams based off equilibrium conditions. This option can only be used with the Gasification (2010) property
package, which is an additional license option for the software. The second option available is the kinetic
reactor model that uses kinetic parameter information entered to customize product slate behavior.
Gibbs Reaction Model

With the Gasification (2010) property package selected the Gibbs reaction model will use Gibbs minimization to
predict product slates. Users can still customize these products by making use of the ParticulatesOut material
stream as described later and specifying approach to equilibrium temperatures in the freeboard and reactor
bed sections. These parameters are available in the Settings tab as highlighted below.
Once the Gibbs reaction model is selected all kinetic parameter frames in the form will be removed auto-
matically and all solid material will exit from the SlagOut port. In addition, any parameters in the remaining vis-
ible input or result frames that no longer apply to an equilibrium model will be removed. The final view of the
plasma gasification frame should look similar to the image below.
Kinetic Reaction Model

With this option selected the plasma gasification unit operation’s internal carbon based reactions are driven
from the kinetic parameters entered in this frame. The parameters, A, E, Alpha (a), and Beta (b), relate to the
reactions as shown below.
C to CO 1 = 2C + O2 -> 2COFreeboard reaction only
C to CO 2 = C + CO2 -> 2COFreeboard and Slag Bed reaction
C to CO 3 = C + H2O -> CO + H2Freeboard and Slag Bed reaction
C to CO2 1 = C + O2 -> CO2Freeboard and Slag Bed reaction
C to CO2 2 = CO + H2O -> CO2 + H2Freeboard reaction only
C to HC 1 = C + 2H2 -> CH4Freeboard and Slag Bed reaction
C to HC 2 = CO + 3H2 -> CH4 + H2OFreeboard reaction only
As labeled above only specific simplified reactions are accounted for in the bottom region of the reactors where
solid gas reactions occur (Moustakas et al., 2005). The default values that are provided for the reaction kinetics
are only a starting point for the model and should be matched to available plant data.
The default values for the alpha and beta parameters were regressed from equilibrium values given in the
“Handbook of Alternative Fuel Technologies” by Lee et al. (2007). The figure below shows the equilibrium lines
fitted to the date for the temperature range of ~300 - 1000 K. Where the slope represents the alpha values and
the offset represents the beta values for each reaction.
The default values for the A and E parameters, i.e. the frequency factor and the activation energy, were roughly
estimated to match relative speeds of reaction from literature. The carbon combustion reactions occur almost
spontaneously, the water gas shift and Boudouard reactions occur at a similar magnitude but are orders of mag-
nitude slower than the combustion, and the methanation reaction is slowest (Probstein and Hicks, 1982) (Tsai,
1982). As seen by the simple default values provided the A and E parameters should always be matched to rep-
resent plant data properly before being used.
Reduction Yields (Kinetic reaction model only)

In order to determine whether the metal or metal oxide of an element in the feed is produced in the bottom
products the reduction yields of each element involved is provided as a signal port. Ultimately metal oxides
leave in the “SlagOut” material port and metals leave in the “LiquidMetalOut” material port. The default values
in each of these element signal ports should be manually adjusted to match available process data.
Only some elements are considered in the plasma gasification unit operation calculations and these are rep-
resented below with red dots. The metal oxides that can be created from each element are also shown. In
cases where multiple metal oxides, or components, can be produced from an element there will be other para-
meters in the operation to handle these product distributions.
Product Distribution (Kinetic reaction model only)

Some specific product distributions are more focused on then others within the study of plasma phase
gasification. In this respect some of the components formed in either the top or bottom products of the reactor
are defined by these parameters. These parameters take one of the following two different types of forms:
1. Fraction of product component produced out of a predefined group.
2. Fraction of product component produced from entering feed element.
These parameters are not meant to be predictive and any values or flowsheet calculations relating to these
products should be used to match plant data for relative operating conditions. Default values have been given
for some of these parameters from literature (Higman and van der Burgt, 2003). A brief description of these
parameter groups are as follows:
Fraction CH4, C2H6, C2H4, C3H8, C4H10

Hydrocarbon production in the “RawGasOut” material port from the “C to HC1” and “C to HC2” kinetic reac-
tions defined in the “Kinetic Parameters” follow the distribution as given in these parameters.
Fraction Feed N to NH3, CHN, NO, NO2

The fraction of nitrogen in the “FeedIn” port that is used to produce the listed nitrogen based components pro-
duced in the “RawGasOut” material port.
Fraction Fe to FeO, Fe2O3, Fe3O4

The fraction of different Fe based metal oxide types that are produced in the “SlagOut” material port based on
the reduction yield for this element.
Fraction S to COS, SO2, SO3

The fraction of sulfur in all feed ports that is used to produce the listed sulfur based components produced in the
“RawGasOut” material port.
Internal Calculations
Some internally calculated values are provided in order to review the plasma phase gasification unit running
conditions with more ease. These values, being signal ports, can also be used to tie into the flowsheet to help
control external calculations.
Calculated Number of Reactors

The number of suggested reactors modeled in this unit operation is provided here. This value is based off the
current running conditions of the unit and the internal constraints that are entered in the “Internal Constraints”
signal ports. This number will be based off the constraint that suggests the largest number of reactors.
Predicted Particulate C
Since this unit operation uses reversible reaction kinetics to predict the carbon based products it does not run to
full carbon conversion. The carbon that is not fully converted is provided in this signal port as the mole fraction
of carbon that would be present in the raw gas. By default the raw gas port will only contain converted carbon
based products.
In order to model the carbon that would be present, this signal port fraction can be used externally in the flow-
sheet to set the flow rate of the “ParticulatesOut” material port. To complete this set up the “ParticulatesOut”
composition, as set by the user, would be defined as 100% carbon in an ideal case.
Note: While using the Gibbs reaction model along with the Gasification (2010) option this port will still report the
fraction of carbon in the product even though this carbon will be included in the outlet material ports. Care
should be taken not to double account for the carbon through the ParticulatesOut material stream.
Torch Air Temperature

This signal port provides the resulting temperature from an energy and material balance around the plasma
duty and the “TorchAirIn” material port. Temperatures several feet away from the torch arc can reach any-
where between 5000 - 8000 F (Lee et al., 2007).
Precombustion Temperature
This signal port reports the resulting temperature from an energy and material balance around the bottom sec-
tion of the reactor before any combustion reactions take place. In this balance the plasma duty is included and
the oxidant and steam that has been specified to go directly into the reactor freeboard region is removed.
Recommended value for combustion temperatures in coal-water mixture systems is between 1000-1100 K.
This high temperature is necessary since water has to first be evaporated from the coal (Lee et al., 2007).
Torches per Reactor

The number of torches required per reactor based on the entered maximum power per torch signal value is
provided here. This number takes into account the overall plasma duty and number of specified reactors.
Dry Raw Gas HHV per Reactor

The higher (or gross) heating value of the RawGasOut material stream is given here. The particulate material
stream is not taken into account in this calculation. In addition, pure components that do not have an enthalpy of
combustion in the pure component database are also not included in this calculated value.
This signal value is taken into account and compared with the maximum HHV provided for the “Calculated Num-
ber of Reactors” as described above.
O/C Ratio
The overall atomic oxygen to carbon count ratio entering the unit operation is provided here. This value is com-
pared with the minimum and maximum O/C ratio constraints specified in the “Internal Constraints” frame to
determine the “Calculated Number of Reactors” value.
H2O/C Ratio
The overall moles of water to atomic carbon count ratio entering the unit operation is provided here.
H2/CO Mole Ratio

The overall hydrogen to carbon monoxide mole ratio produced in the raw gas is provided here. This value is a
good guideline for synthesis production that might be completed downstream of the unit operation (e.g. low tem-
perature Fischer-Tropsch synthesis suggests H2/CO mole ratios usually around 2.15 (C. H. Bartholomew and
Farrauto, 2006)).
Coke/Feed Mass Ratio

The mass ratio of the “CokeIn” material port to the “FeedIn” material port is provided in this signal port. This sig-
nal port, like the rest, can be connected externally and used to help control behavior in the overall flowsheet.
It should be noted that this ratio is calculated using the mass flow of the two above listed inlet material ports
regardless of their given composition.
Internal Constraints
Max Power per Torch
The maximum power provided by the plasma torches allocated for this operation can be entered here. This
value will be compared with the overall plasma duty, and number of torches per reactor to determine a cal-
culated number of reactors for the unit operation.
Max Torches per Reactor

The maximum number of torches available for one reactor within this operation can be entered here. This value
will be compared with the overall plasma duty, and maximum power per torch to determine a calculated number
of reactors for the unit operation.
Max Air Blown Flow

The maximum volumetric flow through all of the reactors freeboard sections for the unit operation when the O2
amounts in the oxidant and torch air streams is less than the N2 amounts. This maximum number will be used
to determine a calculated number of reactors for the unit operation.
Max O2 Blown (Low / High) HHV Flow

The maximum volumetric flow through all of the reactors freeboard sections for the unit operation should be
entered here for cases when the O2 amounts in the oxidant and torch air streams are higher than the N2
amounts. The high HHV to low HHV cut off applies for any operation where the dry basis higher heating value
of the raw gas is greater than 14000 kJ/kg*. This maximum number will be used to determine a calculated num-
ber of reactors for the unit operation.
* For typical gas compositions 14000 kJ/kg is roughly 400 Btu/SCF, which is in the lower range of a medium
HHV product at outlined by Lee et al. (2007).
(Min / Max) O/C Ratio

The minimum and maximum oxygen to carbon atomic ratio values for the gasification process being modeled.
These values are compared with the actual running value and will trigger a warning message if not met.
Max Dry Raw Gas HHV per Reactor

This value represents the maximum allowable higher heating value of the material in the “RawGasOut” material
port. The value calculated does not take into account the material in the “ParticulateOut” port and will not be
used if any components in this port do not have an associated enthalpy of combustion in the pure component
database.
Max Raw Gas Temperature

This value represents the maximum temperature allowed in the “RawGasOut” port. If any metallurgical con-
straints exist in the freeboard region they can be entered here.
Material Ports
TorchAirIn
This material inlet represents the total carrier gas being used in all the plasma torches in all reactors (if multiple
reactors are specified). As mentioned earlier, the material can reach temperatures of 5000-8000 F.
FluxIn
This material inlet represents the flux entering into the bottom bed section of the unit. Flux can be added to gas-
ification reactors to adjust the makeup of the slag exiting the bottom section. An example would be the addition
of SiO2, which is necessary to obtain a vitrified product when not enough natural silica is present in the feed
(Carabin and Gagnon, 2007).
SteamIn
This material inlet represents the total amount of steam fed into the freeboard and bottom bed sections of the
unit. The specific split to these regions is controlled through the “Steam To Reactor Bed” parameter.
OxidantIn
This material inlet represents the total amount of oxidant fed into the freeboard and bottom bed sections of the
unit. This material usually consists of air or enriched oxygen. The specific split to these regions is controlled
through the “Oxidant To Reactor Bed” parameter.
CokeIn
Similar to the flux this material inlet represents the coke entering into the bottom bed section of the unit. Coke
can be added to gasification reactors to increase the energy released by gasification in the bottom slag bed sec-
tion (Carabin and Gagnon, 2007).
FeedIn
This inlet represents the main feed for the gasification unit, which enters the bottom bed section of the unit. The
composition of this stream would represent the coal, bio-mass, municipal waste, or other material to be
gasified. Some calculation parameters, such as the “Fraction Feed N to NH3”, will only count material that
enters in through this material port.
RawGasOut
The raw gas exiting the gasification unit at the top temperature is given in this outlet material port. This stream
will consist of only N2, H2, CO, CO2, H2O, CH4, C2H6, C2H4, C3H8, C4H10, NH3, CHN, NO, NO2, COS,
SO2, and SO3 as defined by the operation parameters entered. Care should be taken as reactions might con-
tinue in this material stream in reality if adequately fast cooling is not completed immediately downstream.
SlagOut
This material outlet consists of the metal oxides that are formed in the bottom slag section. It should be noted
that some of this material might be in vapor form at the higher bottom temperatures and exterior flowsheet oper-
ations might be considered to split material that might be exiting in the top of the unit.
LiquidMetalOut
This material outlet consists of the liquid metals that are formed in the bottom slag section. Similar to the
SlagOut material port some of this material might be in vapor form at the high bottom temperatures.
ParticulatesOut
Other components representing the fly ash going through the system can be defined in this material port. If
desired, extra components would need to be added to the property package and specified in this material port’s
composition. A flow rate for this material port also needs to be provided.
The overall atomic balance and energies of formation for these alternate products are all accounted for in the
operation. In this respect the default products described in the earlier “Reduction Yields” section do not need to
be followed by making use of this flexibility.
Coal Characterization
General
The Coal Characterization environment permits to create hypothetical components that represent bio-mass,
municipal solid waste, and other type of feeds that can be gasified. The resulting hypothetical component can
be characterized by defining its compositional analysis, molecular weight and heating value.
The Coal Characterization environment can be accessed by pressing the Coal button and the bottom of the
Thermo Model form. Note the Coal button becomes visible in the thermo environment as shown above when
the Gasification or Gasification (2010) property packages are installed. This coal characterization feature is not
supported for other property packages.
Coal Characterization
Status Bar
This bar will show messages that will guide the user through the process of creating a coal hypothetical com-
ponent.
Input
The Input frame allows adding the basic information that is needed to build the coal hypothetical component.
Add/Edit Coal
Selects if a new coal will be created or if a previously installed coal will be modified. If a coal is selected, its phys-
ical property information is used to populate the form which can be edited it if wanted. If the option “<New>” is
selected, then the form is cleared and the “Name” box will be shown in the form to start characterizing a new
coal.
Name
Sets the name of the coal hypothetical component.
MW
Sets the molecular weight of the coal hypothetical component.
Heating Value Type

Sets the type of heating value type (lower or higher) used to characterize the coal hypothetical component. If
Estimated is selected, then the heating value is based on the procedure 14D1.1 from the American Petroleum
Institute (API) Technical Handbook.
Heating Value
Sets the heating value used to characterize the coal hypothetical component based on the selected heating
value type (lower or higher).
Input Composition
This frame is used to specify the mass compositional analysis of the coal hypothetical component. The following
is a list of the available compounds that can be used to specify the coal analysis:
Aluminum, Aluminum Oxide, Arsenic, Diarsenic Oxide, Boron, Diboron Trioxide, Barium, Barium Monoxide,
Beryllium, Beryllium Monoxide, Carbon, Calcium, Calcium Carbonate, Calcium Oxide, Cadmium, Cadmium
Oxide, Chlorine, Chlorine Monoxide, Cobalt, Cobalt Oxide, Chromium, Chromium(III) Trioxide, Copper, Cop-
per Oxide, Fluorine, Fluorine Oxide, Iron, Diiron Trioxide, Triiron Tetraoxide, Iron Monooxide, Gallium, Gallium
(III) Trioxide, Hydrogen, Water, Mercury, Mercury Oxide, Potassium, Dipotassium Oxide, Lithium, Dilithium
Oxide, Magnesium, Magnesium Oxide, Manganese, Manganese Oxide, Molybdenum, Molybdenum(IV) Oxide,
Nitrogen, Sodium, Disodium Oxide, Nickel, Nickel Oxide, Oxygen, Phosphorous, Diphosphorous Pentoxide,
Lead, Lead Oxide, Sulfur, Antimony, Antimony Trioxide, Scandium, Scandium(III) Trioxide, Selenium, Sel-
enium Dioxide, Silicon, Silicon Dioxide, Tin, Tin Oxide, Strontium, Strontium Oxide, Thorium, Thorium Dioxide,
Titanium, Titanium Dioxide, Vanadium, Vanadium(V) Oxide, Zinc, Zinc Oxide.
Characterize and Install Coal
Once the input information is provided, the “Characterize” button will calculate other physical properties that
are necessary to use the coal hypothetical component in the selected property package. The “Install Coal” but-
ton will install the coal hypothetical component in the selected property package.
Characterized Properties
This frame will show some of the calculated physical properties for the coal hypothetical component like the
chemical formula, normal boiling point, freezing point and heating values in case they were estimated.
Plasma Gasification Example

Overview
This example models a direct flow plasma burner used to combust pulverized coal. The flowsheet example as
shown below follows that described in the paper by Ustimenko et al., (2004).

Select the Gasification property package and add components as shown in the image above. These com-
ponents are used to represent all inlet and outlet material streams for the plasma gasification unit operation in
this example with the exception of the main feed coal.
Note that the Gasification property package accounts for enthalpy of fusion/melting for metal and metal oxide
components selected. The components, which can be filtered using the Family Type “GASIFICATION”, are
modeled ideally and have names proceeded with “g” (e.g. gCARBON).
In the paper by Ustimenko et al., (2004) a Tugnuisky bituminous coal characterization is provided for the main
feed that is mixed with air. Many gasification feed characterizations are given on a dry mass basis for different
contributing species. The image below shows the original dry basis values from the paper assuming a lower
heating value of 23030 kJ/kg and 14 wt% moisture.
Note the “Coal” button becomes visible in the thermo environment as shown above when the Gasification prop-
erty package is accepted. This coal characterization feature is not supported for other property packages.
The resulting hypothetical component for this coal can be created by pressing the “Coal” button and filling in the
coal characterization form as show below. At this point the “Characterize” button and then the “Install Coal” but-
ton are pressed. Values of the normal boiling and freezing points for the component can also be reviewed in
this form. This form can be used to characterize bio-mass, municipal solid waste, and other feeds if the
required information is known.
Note the molecular weight of 10000 g/mol is an arbitrary value and this can be altered if information such as this
is specifically known about feed materials.
Flowsheet Setup
Once the components have all been fully defined and added (including the addition of the characterized coal as
mention above), the property package can be accepted and the flowsheet environment entered to define the dir-
ect flow plasma burner. A check should be made that the characterized coal component named
“TugnuiskyCoal*” is found in the selected component list.
To start the simulation a plasma gasification unit operation should be created and named “Direct_Flow_
Plasma_Burner”. In this operation’s form there are requested geometries for the freeboard section. These sec-
tions of geometry can be estimated as shown below using values provided for the burner as cited in Ustimenko
et al., (2004).
The bottom geometry section of this operation will be left blank and instead the bottom temperature will be
made equal to the top temperature and a “Bed Heat Loss” of 0.0 W will be specified. This is done because
there is no slag bed generated and the metal oxides are carried out with the product gas. In order to make the
bottom and top temperatures equal a signal stream called “Temperature” can be created and used to connect
the “Bottom Temperature” and “Top Temperature” signal ports in the plasma gasification operation.
For a complete solution the bottom section of this operation will need an estimated initial temperature. To do
this a value of 900 C can be specified in the “Bottom Temperature” signal port and then the port can be con-
verted into a recycle point by using the “Convert “BottomT” to a recycle port” right-click menu option. In this
respect every time the operation solves the top temperature that is calculated will be passed to the bottom tem-
perature input.
Two assumptions that will be made for this simulation will be no pressure drop occurs through the burner and
the operation also runs at adiabatic conditions. In order to represent both assumptions a value of 0.0 can be
given to the “Delta Pressure” and “Freeboard Heat Loss” signal ports in the operation.
Lastly, the material feed ports need to be defined. As shown below the “FluxIn”, “SteamIn” and “CokeIn” mater-
ial inlet ports will be given zero flow rates and the other ports will be given flows as defined in Ustimenko et al.,
(2004). Another additional specification will be the “Plasma Duty”, which will be set to be 100 kW.
The “FeedIn” material port was given a mass fraction of water of 14% to represent the moisture, as mentioned
earlier, since this contribution was not used for the characterization. Since the “ParticulatesOut” material port is
also partially user defined the composition and flow rates will need to be provided.
The composition of the “ParticulateOut” stream will be defined as 100% carbon and the flow rate will be cal-
culated by setting the carbon in the overall combined raw gas material to have a mole fraction equal to the “Pre-
dicted Particulate C” signal value in the plasma gasification operation. To complete this, a controller operation,
a mixer, and two material streams named “Particulates” and “Combined_Stream” are created and the con-
nections are made as shown below. The Mole Flow signal port created in the “Particulates” material stream is
given an initial value of zero from the controller in order to facilitate the first solution.
Once solved with converged recycle points the operation gives back a top (and bottom) temperature of 818.1 C.
The temperatures in Ustimenko et al., (2004) suggest an average outlet temperature of ~886.9 C (1160 K),
which is still higher.
One reason for this difference in temperature is the estimated carbon burn-out through the operation. The
paper gives an actual value of 75.0%, which is lower then the currently calculated ideal conditions which sets
the carbon burn-out to 100.0% (i.e. all pulverized feed coal combusts fully in the burner).
In order to match the 75% value reported a Balance Operation has to be added to the flowsheet and given 1
matieral inlet, 2 matieral outlets, and set to balance “Mole”. At this point the “Particulates” material stream
should be disconnected from the “Direct_Flow_Plasma_Burner” outlet and connected to one of the Balance
operation’s outlet ports. The other material outlet port should have a material stream named “BurnOut” that will
be given a composition = 100% TugnuiskyCoal and a flow rate = 376.25 kg/h. This flow rate was calculated as
25% of the 1505.0 kg/h feed stream of pulverized coal (not including the moisture flow rate fraction), which will
represent the coal that is not burnt in the unit. Lastly, the inlet material port of the balance operation should be
connected to the “ParticulatesOut” material port in the gasification unit.
With this addition the newly estimated top and bottom temperature = 908.0 C (1179 K), which is closer to the
reported actual value. If some slight heat loss in the freeboard region was accounted for this value would
become even closer to that which was reported.
The compositions of the RawGasOut material also matches well with the values reported in Ustimenko et al.,
(2004) as tabulated below (which are also compared to the CFD numerical model outlined in the paper).
Experimental CFD Numerical Current Example

CO (mass %) 31.0 14.5 25.0
CH4 (mass %) 0.5 8.0 0.0
H2 (mass %) 0.0 0.0 1.1
CO2 (mass %) 3.0 8.0 10.8
N2 (mass %) 64.0 61.0 58.1
O2 (mass %) 0.0 0.0 0.0
The final flowsheet for the above example is PlasmaGasification.vmp. This flowsheet also includes the oper-
ations created to match the lower heating value of the hypothetical coal.
Reference
A. Ustimenko, V. Messerle, E. Karpenko, Z. Jankoski, F.C. Lockwood, and M. Gorokhovski, “Mathematical
Modelling of the Pulverised Coal Preparation for Combustion Using Plasma”, 31st EPS Conference on Plasma
Phys. London, 28 June – 2 July 2004 ECA Vol.28G, P-1.027 (2004).
Plug Flow Reactor

Plug Flow Reactor
Main Flow sheet
PFD Stencil
Examples Reactors\PFR1.vmp
In the plug flow (PFR) or tubular flow reactor the feed enters at one end of a cylindrical tube and the product
exits at the other end. The PFR model used in VMGSim assumes there is no mixing in the axial direction and
complete mixing in the radial direction.
User Variables
Allows the user to add and configure a specific conversion, selectivity or yield as a signal port to the PFR.
Where:
Conversion: The net conversion of the selected reactant in the reactor.
Selectivity: The molar flow rate of the desired compound exiting the reactor over the molar flow rate of the
undesired compound exiting the reactor.
Yield: The molar flow rate of the desired compound over the amount of the base compound pro-
duced/consumed in the reactor.
Click the User Variables button to bring up the following form where the user variables can be configured.
The number and type of pull down menus will change according to the type of variable selected in the pull down
menu. Once the name and configuration information has been entered into the form click OK and the user vari-
able will be entered into the list of reactor signal ports. Note that the reactor must be resolved after the values of
the user variables are added before they will be calculated.
To edit an existing user variable, click on the User Variable button, the New Variable check box should be
enabled. Uncheck this check box and the form will now include a pull down menu which allows you to select an
existing user variable to edit or delete.
Pipe Selection
Allows the user to define the diameter of the PFR based on a pipe schedule.
Summary (Tab)
Main Data
This area contains information about the configuration of the PFR.
Delta P
The pressure drop over the PFR.
OutQ
The energy stream out of/into the PFR, energy out will be a positive value and energy in will be a negative
value.
U
The overall heat transfer coefficient between the contents of the PFR and the surroundings.
Heat Loss Calc Type

This option allows the heat transfer to be set to None, Simple, or Detailed based on the requirements of the sim-
ulation model. An additional Heat Loss tab will be visible when this option is set to Detailed.
Outside Data
External T
The temperature of the surroundings. The default value is a specified value of 77°F/25°C.
PFR Configuration
This area contains information about the configuration of the PFR.
Reaction Phase
Phase in which the reactions occur.
Calculate Pressure Drop

Activates pressure drop calculations. User should supply the pressure drop across the reactor when this vari-
able is false. An option to select the pressure drop correlation is made available on the top right hand side of the
form when this option is true. Colebrook is the default correlation. Go to the Pipe Segment section of this
manual for further details on the correlations. If either of the catalyst pressure drop options are selected an addi-
tional Catalyst Data frame will appear to allow for additional information to be entered.
Length
Length of the PFR.
Inner Diameter
The inner diameter of the PFR.
Outer Diameter
The outer diameter of the PFR.
Roughness
Roughness of the PFR. Used when Calculate Pressure Drop is True.
Elevation 0
The elevation of the entrance of the PFR. By default this variable is set to 0.
Elevation 1
The elevation at the exit of the PFR. The total elevation of the PFR is determined by subtracting Elevation 0
from Elevation 1.
Volume
The volume of the PFR.
Catalyst Data
This area contains information related to catalyst in the PFR. This frame is only visible if a catalyst based option
is selected in the PFR such as a pressure drop or detailed heat transfer correlation.
Catalyst Shape
Packing
Diameter
Aspect Ratio
Hollow ID
Thermal Cond
The average thermal conductivity of the catalyst bed should be entered here if the detailed heat transfer option
is selected and a catalyst based inner heat transfer correlation is chosen.
Bed Void Fraction

O'Neill, 2005).
Catalyst Pressure Drop Correlations

All catalyst pressure drop options use the information supplied in the catalyst data frame. For these correlations
the default roughness of 0.0001 m should be used for standard results. An increased or decreased roughness
can be provided to fine tune pressure drop results if plant data is available for matching.
Catalyst (Ergun)
This pressure drop correlation uses the standard Ergun equation (Ergun, 1952). If liquid phase is encountered
in the reactor the liquid volume fraction is considered removed void fraction in the catalyst bed.
Material
Reactions (Tab)
Most values can only be edited by pressing then Add/Edit button. The only exception is the Ignored field which
is used to Ignore a specific reaction.
Add/Edit…
Adding a Reaction
Type a name in the <New> box to add a reaction then enter the appropriate stoichiometric coefficients for each
compound in the reaction. Note that VMGSim convention gives negative values to reactants, positive values to
products and a value can be left blank for any compound that does not take part in a particular reaction.
Editing a Reaction
Copy From…
added with the stoichiometric data of the selected reaction. If the selected reactor is a CSTR or a PFR, kinetic
data of the selected reaction will also be copied to the new reaction. If <Select All> is selected, relevant data for
all of the reactions in the selected reactor will be copied to new reactions in the PFR.
Kinetics (Tab)
The Kinetics tab contains all the necessary convergence controls for the PFR reactor and is where the reaction
kinetics are added and/or edited.
Reaction
Use the pull down menu to select the reaction whose kinetics are to be edited.
Calculation Basis
The basis that is used when calculating equilibrium or kinetic expressions. The default setting is to base the cal-
culations on molar concentration.
Basis Units
The units of active basis when calculating the rate of reaction. The default depends on the unit set that you are
using.
Reaction Rate Units

The units of the reaction rate. Default depends on the unit set that is being used.
Forward/Reverse Windows
The forward/reverse sections of the Kinetics tab contain the Arrhenius equation parameters. Forward and
reverse reaction kinetics are supported, depending on which window is edited. The reaction order of each com-
pound can also be adjusted for both the forward and reverse reactions. The default reaction order for the com-
pounds is zero.
Using Advanced Kinetics

If the Advanced Kinetics box is maximized, by clicking on the plus sign located to the left of the Advanced Kinet-
ics title, the Advanced Kinetics check box can be accessed.
The check box enables the use of advanced kinetics, which allows the user to input a custom set of reaction kin-
etics. When Advanced Kinetics is checked, the Arrheninus equation parameters will be printed in the Advanced
Kinetics input textbox and can be used as a syntax template for inputting custom reaction kinetics. When the
Advanced Kinetics box is checked, an Edit… button appears, which can be clicked to bring up a window in
which custom kinetic expressions can be edited.
The Arrhenius parameters A and E should still be input directly in the grid but the reaction order cannot be
edited in the grid. It is important to note that the A and E parameters are always available to the kinetic expres-
sion and they can also be modified in the “Kinetic Variables” tab.
Note that all values used (T, P, etc.) or calculated output values (r) in the Advanced Kinetics textbox will be in
the unit set selected from the pull down menu.
Reaction Notes
Textbox where notes on the selected reaction and corresponding kinetics can be stored.

This tab contains the main variables of the Arrhenius equation for each reaction. A and E for the forward reac-
tion and Ar and Er for the reverse reactions. The purpose of this tab is to provide users with a convenient way to
modify the kinetic expressions either by changing the variables directly, connecting them through signal ports or
running case studies on them.
Rxn0_A/Ar/E/Er
Represents the specific variable, A/E for forward, and Ar/Er for reverse, for Rxn0. If other reactions are added,
Rxn1, and so on, will be added in their appropriate locations.
Settings (Tab)
The setting tabs contain parameters that can be changed in the reactor.
Custom Eq Unit Set

Set the system of units to be used in the evaluation of the kinetic expression. You can change the system of
units any time, as shown below.
Minimize Error
equations are assumed to be converged. When the Minimize Error box is checked, it attempts to always reduce
the maximum error from iteration to iteration (i.e. it does not allow the solution to diverge). If unchecked, then it
blindly takes the values from the numerical algorithm from iteration to iteration. The default setting for minimize
error is checked.
Damping Factor
A damping factor lower than one results in smaller step changes in the iteration variables than those obtained
Freq Jacobian Msg

The number of internal perturbations the solver makes to the Jacobian before a status message is shown. The
default is 10.
Max Error
This is the maximum accepted tolerance for a converged solution. MaxError is defined as the largest scaled
“error” of the set of equations being solved. Where “error” is related to “how far” the equations are from a con-
verged solution.
Max Num Iterations

Maximum number of solver iterations allowed for the CSTR to converge. The default is 20.
Monitor Convergence
When the Monitor Convergence box is checked, it automatically checks if the algorithm is far from the solution
and if it does not seem to be converging, which results in a premature break in the calculations. When
unchecked, it allows the solver to keep on iterating until it reaches Max Iterations. The default setting is
unchecked.
Solution Method
Integration method for PFR.
Euler
Explicit Euler integration method. This methods provides the fastest performance per section but it also
provides minimum accuracy and could also be unstable due to its explicit nature. It could be seen as assuming
that every section has the concentration of their feed.
EulerImplicit
Implicit Euler integration method. This method is the default and resambles the analogy of solving the PFR as a
series of CSTR vessels. In other words, each section is assumed to be well mixed.
RungeKutta4
Runge Kutta 4 integration method. This method is not implicit and may provide a good compromise between
the speed of Euler and the stability of EulerImplicit.
Adaptive
Adaptive step integration method.This is the most flexible integration method in the PFR and is likely to improve
any problems experienced with the default method. This method internally decides the length of the integration
step and the user defined number of sections is only used to decide how many point to include in the profiles.
This means that when using this integration method, the number of sections could be kept to a minimum and
the answers should not change.
This integration method can be used for stiff and non-stiff problems because it has the ability to automatically
switch between Adam's integration method and a stiff integration method.
GearStiff
Sitff integrator implementation of Gear's method. Only suitable for stiff problems.
Try Last Converged

When the Try Last Converged box is checked, the solver attempts to use the last converged solution as the ini-
tial values for finding a new solution. Note that Try Last Converged still checks if the initialization algorithm
provides better initial values than the last converged solution. It is also important to point out that the CSTR will
still remember the last converged solution, even if it becomes unconverged. The default setting for the Try Last
Converged is a checked box.
Try To Restart
When the Try To Restart box is checked, the solver uses the last iteration values (converged or not) as the initial
values for finding a solution. This parameter overwrites Try Last Converged. This parameter is useful when it is
thought that an equilibrium reactor only needed few more iterations in order to obtain a solution. The default set-
ting for the Try To Restart box is unchecked.
Min Outlet P [kPa]

Minimum allowable pressure in the outlet. Always in kPa.
Profile (Tab)
Contains a table of PFR values that can also be plotted. By default, the segment number and the corresponding
axial length, pressure, temperature, enthalpy and mole flow are displayed.
Properties
Drop down menu used to select the property set that is displayed in the table and that can be plotted.
Add/Remove
Opens a form to add or remove the properties to include in the profiles. Any property selected here becomes
available in the Plot tab.
The form to select properties includes an option to display an extended list of properties including physical prop-
erties, special properties and hydrates.
Plot (Tab)
Plots different profiles from the PFR.
X-Axis
Y-Axis
2Y-Axis
Pull down menu that allows a second Y-axis to be plotted and what variable will be plotted on the second Y-
axis.
View
Selects the type of variables to plot including physical properties, flows and rates of reaction.
Plot control
Check Boxes
a black and white or color plot or switch the y-axis between a linear or logarithmic scale.
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Heat Loss (Tab)

This tab contains all extra variables used to define detailed heat transfer in the PFR operation. This tab only
Detailed Heat Loss

OutQ
Duty of the reactor which is calculated through the heat loss model.
U
Overall heat transfer coefficient.
Layer Count
Outside Data
Defines how the data that surrounds the unit such as External T is obtained. Specify when the value is input dir-
ectly on the unit and Ambient when the value is defined globally in the parent flowsheet.
External T
Ambient temperature used in heat transfer correlations.
Air Velocity
The air velocity perpendicular to the reactor's length. This velocity will be displayed only when a correlation
required it.
Heat Transfer Coeff

frame.
Inner HT Corr
Constant
ted.
FreeConv
Dittus
HTubeMix
(Holman, 1997).
Rigorous
Catalyst (Matsuura)
Inner HT
Inner HT Scale
Outer HT Corr
Constant
ted.
Free Conv. Air

vertical, or slanted) and outside film condition air properties (Nellis and Klein, 2009) (Holman, 1997).
Forced Conv. Air

variable, is acting on top of the free convection for heat transfer on the outside of the reactor tube. This means
that this correlation becomes a free convection correlation as velocity goes to 0. The calculations use outside
film condition air properties and a generalized average heat transfer calculation assuming cross flow to the cyl-
indrical reactor (Knudsen and Katz, 1958) (Hilpert, 1933).
Outer HT
calcalculated by the selected outer heat transfer correlation. When the calculated value is displayed here it does
Outer HT Scale


ity of the catalayst bed, the process temperature, and the catalyst emissivity.
Note that for radiant heat transfer involving catalyst in the inside of the reactor the "Inner Wall Emissiity" should





calculations.

Data for the wall layers of the PFR vessel is provided here. The variable area in this frame will automatically
adjust to the "Layer Count" variable provided in the "Detailed Heat Loss" frame. Conductive resistence through
Layer Name
Thermal Cond
The thermal conductivity of each wall layer can be provided here. Many heat transfer references have good tem-
perature dependent data for different metal thermal conductivities (Kern, 1950) (Holman, 1997) (Peters and
Timmerhaus, 1991).
Thickness
PFR Example 1 Acetone Pyrolysis

In this example we will use a PFR reactor with a 0.5 m internal diameter and a volume of 4 m3 to crack Acetone
into Ketene.
Start a new VMGSim case. Add a Wilson property package with acetone, methane and ketene as components.
Switch the unit set to SI. Create two material streams, Reactants and Products, and specify Reactants as
shown below.
Create a PFR and attach the material streams as shown below.
Click on the Reactions tab and specify the acetone pyrolysis reaction by clicking the Add/Edit button and con-
figuring the Reaction Data form as below.
The Reactions tab will now appear as below.
Select the Kinetics tab and Click on the Edit button, specify the Pyrolysis reaction Arrhenius parameters as
shown below.
Click OK and then click on the Summary tab and specify the reactor physical parameters as follows.
Once entered, the PFR should have enough information to solve and will appear as below.
Visbreaker
Visbreaker
Main Flowsheet
PFD Stencil
Examples Reactors\Visbreaker.vmp
General
The visbreaker unit allows predictive trending of a matched continuous, mild thermal cracking reactor or
upgrader. This reactor unit is not considered part of the generally supported operations within VMGSim and
requires a special license option. The complete summary form is shown below.
Schematic
for the operation.
Configuration
The PIONA based reaction models "Atm Resid (< C200)"is selected by default and appropriate for a heavy oil
feed for an upgrader. In all situations a generic internal kinetic scheme is used and based off component atomic
numbers and their chemical families selected in the flowsheet. General kinetic pathways are generated for the
show below.
.
cies it will consider within its kinetic pathways reactions. Due to propagation reactions that occur within thermal
cracking units the feed's heaviest carbon number component should be slightly less than the maximum reaction
carbon number being considered.
Heat Transfer Mode
The selection determines the calculation of the temperature profile and energy balance within the visbreaker
unit. Constant T is selected by default and will ensure that there is no variation in temperature which will be
equal to the outlet temperature, Constant T mode may result in extremely high heat flux values. Constant Flux
distributes the net energy to the reactor equally between the segments. Calculated Flux rigorously calculates
the flux per segment based on a flue gas temperature. Variable Flux allows a linear distribution of flux to be spe-
cified in Flux Distribution.
Configuration
In Q
The energy available to the visbreaker from an external source.
Ambient Heat Loss

The energy lost to the environment from the visbreaker.
Q Exchange
The net exchange of energy between the process and the external source.
Flue Gas T
The flue gas temperature variable becomes visible when Calculated Heat Flux is selected and is required to cal-
culate the energy balance in this mode.
Tube Data
Orientation
Select From Horizontal or Vertical to describe the orientation of the visbreaker.
Total Length
The Length available for reaction and heat transfer.
Inside Diameter
The inside diameter of the process tube should be entered here. Any coke layer thickness entered will be sub-
Outside Diameter
The corresponding outside diameter of the process tubes. All heat transfer results within the visbreaker will be
given with respect to the outside diameter and outside surface area.
Roughness Factor
The roughness factor inside the tubes can be entered in order to match pressure drops across the process side.
Initial estimates for the roughness factor for different types of material can be found in literature (Mokhatab,
Poe, and Speight, 2006).
Tube Material
Different tube materials can be selected and the thermal conductivity value used to calculate UA will change
accordingly. Note that the effects of tube material are usually small and can be ignored completely by setting the
material selection = “Ignore_In_UA_Calc”.

Results
Conversion
The conversion of all feed component mass flow rates from the inlet to outlet of the reactor
Spec Conversion
Spec Conversion is available when the visbreaker is set to Constant T mode. The Outlet Temperature must not
be specified so that the unit can calculate the temperature at which the specified conversion value occurs.
Outlet Temperature
The temperature of the process at the outlet of the reactor.
Outlet Pressure
The pressure of the process at the outlet of the reactor.
Residence Time
The residence time of the process material through the tube length is provided here accounting for all volu-
metric changes throughout the coil. Checks on appropriate residence times based on different feed stocks can
be done using this value.
Spec Residence Time

if selected the visbreaker will switch from segments of evenly distributed length to evenly distributed residence
time and calculate the necessary length for the specified residence time value.
Pressure Drop
Pressure drop through the process tube is provided in this signal port. Values are based off internal calculations
as completed inside VMGSim’s Pipe operation.
Max Tube Temperature

The maximum tube temperature is provided for metallurgical considerations within the reactor. This tem-
perature is calculated at the hottest location along the tube surface. If the visbreaker is in Constant T mode very
high temperatures are likely in order to close the energy balance.
Max Coke Growth

Coke formation distribution is calculated across the inner surface area of the tube. The maximum velocity of this
calculated thickness growth along the full length is provided in this signal port.
Yields / Settings
Numerical Settings
Zone Segments
Tolerance
The error tolerance used for convergence confirmation for each iterative calculation within the operation.
Damping Factor
The damping factor for internal iterative calculations is entered in this parameter. The default value given for this
setting is optimized for general convergence speed.
Max Iterations
Reaction Version
Stiff Tolerance
This tolerance is used in the default stiff integrator.
DP Data
dP Correlation
If a specific pressure drop correlation is desired it can be selected here. The pressure drop correlations are the
same as found in the Pipe Segment operation.
Note: 2-Phase pressure drop correlations should always be selected when vapour is present.
Min Outlet P
The minimum allowable pressure at the outlet of the visbreaker can be specified here. A warning will be
provided in the unit operation’s status message if this minimum pressure is reached throughout the internal cal-
culations as shown below.
Coke Formation Data
Coke Growth Kinetics

All kinetic multipliers involved with reaction rates of coke growth are given in this node. All reaction pathway
definitions related to each tuning variable can be viewed in the variable's tool tip provided.
Tube Metal Data

The average tube alloy content is automatically calculated and shown in this frame based off the selection type
of the tube material in the "Tube Data" frame found in the "Summary" tab. To enter specific custom tube content
the "Custom Alloy" check box should be activated and the Iron (Fe: 0~99%), Nickel (Ni:0~82%), and Chromium
(Cr:0~30%), content can be specified into this frame instead.
Further information on the relationship between Fe, Ni, Cr and coke formation can be seen in the Ethylene
Cracker section of this manual.
Feed Inhibitor Data

All data inputs related to coke inhibition caused by inlet feed inhibitors can be specified in this node. Inhibitors
such as dimethyl disulfide (DMDS), Thiophene and phosphorous compounds can reduce coke formation.
Depending on the type of inhibitor, different amount of it will be required in the feed material port to lessen the
coke formation: DMDS < 500 PPM, Thiophene < 10,000 PPM and Phosphine < 1000 PPM. By default, the
inhibitor in the feed does not reduce coke formation unless the "Disable Inhibitor" box is unchecked in the
Yields/ Settings tab under the "Coke Formation Data" frame's "Feed Inhibitor Data" node. To adjust the effect
of inhibitors on the two main different parts of coke formation rate (catalytic, asymptotic), catalytic and asymp-
totic multipliers (Mult Catalytic, Mult Asymptotic) can be used. In addition, presence of PIONA hetroatomic sul-
fur compounds in the feed can play role as an inhibitor and fall under a similar mechanism as Thiophene for the
calculations.
Tube coating Data

Tube coating is another method to reduce tube coke formation, which mostly affects catalytic coke growth
affects. Al, Al-Mg, Zn, Ni/SiO2, Cr2O3/SiO2, SiC CVD are the main types of available coating that are used in
cracking furnaces to reduce tube coke formation and are available within this unit. To activate a tube coating to
reduce coke formation the tube coating can be selected from the “Tube Coating Type” drop down list. Also to
adjust the effect of customized coatings on coking rates, based on experimental or plant data, the catalytic and
asymptotic multipliers (Mult Catalytic, Mult Asymptotic) can be applied.
PIONA Inclusions
Disable Heavy Reactions

Lumping
one of the major speed up options available for PIONA reactors is the "None(spd)" lumping option. This option
uses an explicit style solver with automated alterations to the estimated equation derivatives to prevent errors in
bounded results. This option can introduce some error (usually around 2-4%) so results should be confirmed
when activated and potentially re-tuned with the available reactor parameters for better accuracy.
P/I/O/N/A
should mimic the selections made in the PIONA thermo environment basis when the flowsheet's component
components).
Atomic Inclusion
O/S/N/V/Fe/Ni
requires NH3, V/Fe/Ni requires the solid V/Fe/Ni components)
PIONA Mass Yields

Mass yield by component. Where yield is calculated as the mass flow rate of the desired compound over the
amount of the base compound produced/consumed in the visbreaker.
PIONA Simplified Kinetics

The ability to tune the reaction rates of different pathways can be achieved here through these variables. By
default simplified PIONA kinetic pathways are displayed. To display advanced kinetic pathways select
Advanced. The simplified PIONA kinetic pathways are listed below:
PIONA Fwd Kinetics

PIONA Cracking = "Forward cracking reaction rate of all family species (PIONA)"
I Cracking = "Forward cracking of iso-paraffin species based off 'P' value"
O Cracking = "Forward cracking of olefin species based off 'P' value"
N Cracking = "Forward cracking of napthene species based off 'P' value"
A Cracking = "Forward cracking of aromatic species based off 'P' value"
P -> I (Isomerisation) = "Isomerisation of paraffin to iso-paraffin species"
P -> O(Chain Dehydrogenation) = 'Dehydrogenation of paraffin and iso-paraffin species"

O -> N (Cyclization) = "Cyclization of olefin species"
N -> A (Ring Dehydrogenation) = "Cyclic dehydrogenation of naphthene species"
A -> ADehy (Aromatic Dehydrogenation) = "Dehydrogenation of aromatic species"
Benzene Formation = "Creation of Benzene due to propagation and cyclization of double bond lighter gases"
PIONA back Kinetics

PIONA Propagation = "Propagation reaction rate of all lighter family species (PIONA)"
I Propagation = "Propagation of iso-paraffin species based off "P" value"
O Propagation = "Propagation of olefin species based off "P" value"
N Propagation = "Propagation of naphthene species based off "P" value"
A Propagation = "Propagation of aromatic species based off "P" value"
I -> P (Back Isomerisation) = "Back isomerisation of iso-paraffin to paraffin species"

O -> P(Chain Hydrogenation) = 'Hydrogenation of olefin species to paraffin"
N -> O (Cyclic Cracking) = "Cyclization cracking of naphthene species"
A -> N (Ring Hydrogenation) = "Cyclic hydrogenation of aromatic species"
Benzene Cracking = Cracking of benzene to form double bonded light gases
PIONA General Kinetics
Kinetic AppT = Approach temperature for kinetic calculations
Light Crack Distribution = "Forward cracking distribution spread coefficient of larger chains"
H2 Order = "Reaction order multiplier of hydrogen for shift and cracking reactions"
Carbon Formation = "Carbon formation rate from lighter olefin species"
Light Ends
These tuning values allow each light end group to have a weighting value to increase or decrease its pro-
duction. Fine tuning of specific light ends will be relative to the other light end groups and will not break the over-
all light gas yield.
PIONA Advanced Kinetics
When the Advanced checkbox is selected The fractional multipliers "A" and activation energy multipliers
"E" variables visible can be toggled through use of the "Display E Inputs" check box. The general description of
Advanced PIONA reaction kinetic pathway tuning multipliers can be seen listed below:
P1 = "Forward cracking reaction rate of all lighter family species (PIONA)"
P2 = "Forward cracking reaction rate of all heavier family species (PIONA)"
I1 = "Isomerization of lighter paraffin to iso-paraffin species“
I2 = "Isomerization of heavier paraffin to iso-paraffin species“

O1 = "Dehydrogenation of lighter paraffin and iso-paraffin species“
O2 = "Dehydrogenation of heavier paraffin and iso-paraffin species“
N1 = "Cyclization of lighter olefin species“
N2 = "Cyclization of heavier olefin species“
A1 = "Cyclic dehydrogenation of lighter naphthene species“
A2 = "Cyclic dehydrogenation of heavier naphthene species“
ADehy1 = "Dehydrogenation of lighter aromatic species“
ADehy2 = "Dehydrogenation of heavier aromatic species"
CrackI = 'Forward cracking of iso-paraffin species based off "P" value'
CrackO = 'Forward cracking of olefin species based off "P" value'
CrackN = 'Forward cracking of naphthene species based off "P" value'
CrackA = 'Forward cracking of aromatic species based off "P" value'
FCrack1 = "Potential of lighter family species shift with cracking reactions"
FCrack2 = "Potential of heavier family species shift with cracking reactions"
CrackMultM = "Heavier molecule effects on forward cracking reactions"
CrackExpM = "Heavier molecule effects on forward cracking reactions"
BackP1 = "Propagation reaction rate of all lighter family species (PIONA)“
BackP2 = "Propagation reaction rate of all heavier family species (PIONA)“
BackI1 = "Back isomerization of lighter iso-paraffin to paraffin species“
BackI2 = "Back isomerization of heavier iso-paraffin to paraffin species“
BackO1 = "Hydrogenation of lighter olefin species to paraffin“
BackO2 = "Hydrogenation of heavier olefin species to paraffin“
BackN1 = "Cyclization cracking of lighter naphthene species“
BackN2 = "Cyclization cracking of heavier naphthene species“
BackA1 = "Cyclic hydrogenation of lighter aromatic species"
BackA2 = "Cyclic hydrogenation of heavier aromatic species"
BCrackI = 'Propagation of iso-paraffin species based off "P" value'
BCrackO = 'Propagation of olefin species based off "P" value'
BCrackN = 'Propagation of naphthene species based off "P" value'
BCrackA = 'Propagation of aromatic species based off "P" value'
BCrack1 = "Potential of lighter family species shift with propagation reactions"
BCrack2 = "Potential of heavier family species shift with propagation reactions”

BCrackLong1 = "Ratio of lighter long radical chain versus methyl propagation"
BCrackLong2 = "Ratio of heavier long radical chain versus methyl propagation”
BCrackMultM = "Heavier molecule effects on propagation reactions"
BCrackExpM = "Heavier molecule effects on propagation reactions"
CrackDistA = "Forward cracking distribution spread coefficient of larger chains"
CrackDistB = "Forward cracking distribution spread coefficient of larger chains"
CrackDistC = "Forward cracking distribution spread coefficient of larger chains"
CrackDistD = "Forward cracking distribution spread coefficient of larger chains“
CPower = "Overall kinetic rate changes versus carbon number"
Initial Kinetic Damp = "The kinetic rate at which damping occurs due to mass transfer limitations"
O4 Low = "Detailed group distribution of C4 olefins in lower refractory index range"
O4 High = "Detailed group distribution of C4 olefins in higher refractory index range"
N4 Low = "Detailed group distribution of C4 naphthenes in lower refractory index range"
N4 High = "Detailed group distribution of C4 naphthenes in higher refractory index range"
O5 Low = "Detailed group distribution of C5 olefins in lower refractory index range"
O5 High = "Detailed group distribution of C5 olefins in higher refractory index range"
N5 Low = "Detailed group distribution of C5 naphthenes in lower refractory index range"
N5 High = "Detailed group distribution of C5 naphthenes in higher refractory index range"
A8 Low = "Detailed group distribution of C8 aromatics in lower refractory index range"
A8 High = "Detailed group distribution of C8 aromatics in higher refractory index range"
A8+ Low = "Detailed group distribution of C8+ aromatics in lower refractory index range"
A8+ High = "Detailed group distribution of C8+ aromatics in higher refractory index range“
C Low O = "Carbon formation rate from lighter olefin species"
C High O = "Carbon formation rate from heavier olefin species"
C Low N = "Carbon formation rate from lighter naphthene species"
C High N = "Carbon formation rate from heavier naphthene species"
C Low A = "Carbon formation rate from lighter aromatic species"
C High A = "Carbon formation rate from heavier aromatic species"
Visbreaker Example
Overview
This example uses the visbreaker unit to model the upgrading of an Alberta Cold Lake Bitumen. The model is
based on the results of a paper by de Klerk et al. (2014). In the model the visbreaker has been scaled from
bench top scale to 1,000 bbl/day.

Select the Refinery APR (Advanced Peng-Robinson) property package and in the Settings tab under Liq Prop-
erty Methods select Rackett for Volume and Expanded Fluid for Viscosity. Under Vap Property Methods select
Expanded fluid for Viscosity. Add the components listed below.
Components
WATER; CARBON; HYDROGEN; OXYGEN; CARBON MONOXIDE; CARBON DIOXIDE; NITROGEN;
HYDROGEN SULFIDE; AMMONIA; METHANE; ETHANE; PROPANE; n-BUTANE; ISOBUTANE;
ETHYLENE; PROPYLENE; 1-BUTENE; ACETYLENE; PROPADIENE; 1,3 - BUTADIENE; BENZENE.
PIONA Slate
The PIONA Slate characterization can be accessed via PIONA Slate from the Thermo Model form. This hydro-
carbon pseudo component characterization technique based on molecular structures of component groups
chosen from the PIONA classification. To create the PIONA pseudo components, the range of carbon numbers
required initial boiling point (IBP) and end boiling point (EBP) from distillation curve data can be entered as
below. PIONA Inclusion check boxes determine the structural resolution for the internal kinetic reactions.
The generated PIONA components can be seen in the Components tab of the Property Package form.
Flow Sheet Setup

been added. The unit set at this point should be changed to SI for this example.
An Oil Source can be added to the flow sheet to regress the composition of the feed from the data available in
the paper by de Klerk et al (2014). Rename the Oil Source ColdLakeBitumen. In the Summary tab of the Oil
Source select Distillation Curve, PIONA/SARA Distribution, Atomic Inclusion and Density Curve to represent
available assays. Also check H/C Ratio (Mass) and Carbon Residue (Mass) %. Enter 0.12 and 16.4 respect-
ively.
In the Distillation Curve tab select D2887 under Type in the Options form and enter 9 curve points. The data
points for the curve can be seen below, note that the scale values were set to 1,000. A high scale value places
less emphasis on this variable in the regression.
In the Distributions tab an estimate for the Paraffin, Iso-paraffin, Olefin, Napthene and Aromatic component
ratios can be entered under PIONA analysis, the estimated ratios can be seen below. An Asphaltene mass %
was also specified at 15% with a scale of 1,000.
Hetro-atomic species were included in the regression by checking the Sulfur and Nitrogen options in the Atomic
Inclusion tab. Values of 1.0% and 0.5% were entered respectively on a mass basis.
In the Density Curve tab two curve points were selected and the following data was entered:
Click Regress Parameters to calculate the feed composition.

Attach a Material Stream to the Oil Source and enter a Std Liq Volume Flow rate of 1,000 bbl/d, a temperature
of 15 C and pressure of 4.0 MPaa, the bench scale study was performed at high pressure.
Add a visbreaker unit to the flowsheet and attach to the Material Stream. The Specified Summary tab can be
seen below:
Select Spec Residence time to specify a residence time of 30 mins and allow the unit to calculate the necessary
length. Enter an Inside Diameter of 50 cm and an outer diameter of 51 cm. To include the hetro-atomic species
in the PIONA Inclusions form of the Yields/Settings tab select S and N.
Results
The composition of the visbroken product compared with the crude bitumen feed can be seen in the following
figures. The results are displayed in relative mass fraction.
Reference
Visbreaking Oilsands-Derived Bitumen in the Temperature Range of 340−400 °C, Lin Wang, Ashley
Zachariah, Shaofeng Yang, Vinay Prasad, and Arno de Klerk, Energy & Fuels 28 (2014) 5014 – 5022
Reactor Dynamics
Conversion Reactor - Dynamics
Main Flow sheet
PFD Stencil
Examples Reactors\Conv reac dyn.vmp
General
Conversion reactors are used to provide shortcut material and energy balance models for actual reactors. In a
conversion reactor a series of chemical reactions are specified together with the desired conversion for each
reaction, as well as the order in which the chemical reactions are supposed to happen (if desired). Conversion
reactors can be used to model adiabatic or specified outflow temperature operations.
Note that Conversion Reactors DO NOT check the specified conversion against true thermodynamic equi-
librium and therefore impossible chemical reactions can be specified.
Also note that in dynamics, reactors have holdup volume, so that the basis for calculating conversion is more dif-
ficult. Conversion is based on feed flow to the reactor, and this implies that during a transient, the compositions
out of the reactor may not exactly match the specified conversions.
This option tells the conversion reactor algorithm to try to solve all chemical reactions simultaneously. When you
have competing chemical reactions this option will limit the specified conversion depending on the availability of
reactants, without placing any special preference on any reaction.
Otherwise, the reactor algorithm will use the order specified on the reactions tab to solve the chemical reaction
system. This is useful when you have competing chemical reactions and you know that certain reactions will pro-
ceed preferentially.
Summary(Tab)
Main Data
OutQ
The energy removed from the reactor. The sign is determined by the “Q Exothermic is Positive” flag on the set-
tings tab.
Outlet T
The Outlet temperature from the reactor.
DeltaP
The pressure drop across the reactor.
Percent Level
The level percent of the light liquid.
Level
The level of the light liquid.
Rxn_Conversion
The conversion of each of the user specified reactions as a fraction.
Configuration
This allows the user to specify the vessel geometry and the reaction phase.
Orientation
The separator orientation – vertical or horizontal.
Inclination
The vessel angle of inclination – 0° - 90° : Inlet is higher, 90° - 180° : Outlet is higher (¹See below for more
details).
Length
The separator length
Diameter
The separator diameter
Volume
The total separator volume
Thickness
The wall thickness (heads are assumed equal thickness)
Head Design
Ellipsoidal
This is used to model elliptical heads with default axis ratio = 2:1 on a separator.
None
This is used when ends are completely flat.
Custom
This is used to model torispherical heads of the separator with user specified crown radius and knuckle radius.
Flat
This is used to model flat heads. Here knuckle radius = min(0.06*OD, 3*thickness), crown radius = 1.3*OD.
Dished
Here, ends are spherical section with default crown radius = OD
DIN ToriSpherical
Here, knuckle radius = 0.1*OD, crown radius = OD.
Din SemiEllipsoidal
Here,knuckle radius = 0.154*OD, crown radius = 0.8*OD
ASME F&D
Here, knuckle radius = min(0.06*OD, 3*thickness), crown radius = OD.
Head Axis Ratio

This is used to model elliptical heads on a separator. The value is the ratio of the minor to the major axis for the
ellipse. A typical value would be 0.5, which implies that the elliptical portion of the separator extends out ¼ of the
diameter beyond then tan line.
Note that if this feature is used, the separator Length defines the distance between the tan lines. I.e. Total
Length = Length + Head Axis Ratio * Diameter
Reported levels are impacted by this option. For a vertical separator, level is reported based on the Total
Length of the separator.
Head Geometry
Crown Radius
The radius of the crown portion of a torispherical head.
Knuckle Radius
The radius of knuckle portion of a torispherical head.
Spherical Limit
The width of the spherical portion of a torispherical head.
Knuckle Height
The height of the knuckle portion of a torispherical head.
Crown Height
The height of the crown portion of a torispherical head.
Heat Loss Calc Type

Split Phases
Check this option to have a separate outlet for vapor and liquid. You can adjust the number of liquid outlets on
the settings tab.
Liquid Ports
The number of liquid product phases required. Use 2 if you expect a liquid-liquid separation.
The sign convention for the OutQ value.
Level Control
Internal Level Ctl

Enables internal level control using the liquid product flowrate.
Upper Level Tap

The location of the level taps on the separator.
Lower Level Taps

¹More details for Reactors Inclination
Material Summary
Shows the connected streams/Unit Ops and the In_Material and Out_Material port information.
Reactions
The Reactions tab is where reactions are added and configured. The reactions tab will display a stoichiometric
coefficient matrix for the reactions as well as the respective base compound, conversion and solution order for
each reaction.
Add/Edit…
Clicking the Add/Edit... button will bring up the following form where reactions can be added or edited.
Adding a Reaction
Type a name in the <New> box to add a reaction, then enter the appropriate stoichiometric coefficients for each
compound in the reaction. Note that VMGSim convention is that Reactants are negative values, products are
BaseComp
The compound involved in a particular reaction that will be used as the base for all conversion calculations.
Conversion
The percent conversion of the base component. Note that in the case of multiple reaction the specified con-
version may not be achieved due to competing reactions.
Solution Order
Sets the order in which the reactions are solved (when the Use Reaction Order radio button is selected). The
Solution Order is input as integers starting from 0, where reactions with lower integer numbers have a higher
solution priority. A reaction with a solution order of 0 will have the highest solution priority.
Editing a Reaction
To edit a reaction setting click on the desired parameter and type in a new value. Note that the message box
near the bottom of the form will indicate which reaction is selected.
Heat Loss (Tab)

Heat Loss Calc Type
Simple Heat Loss

Duty
Calculated duty.
UA
U
Area
Process T
Outside Data
Ambient Temperature
Outside T
Outside T
Detailed Heat Loss

Duty
Calculated duty
Process T
Outside Temp Source
Ambient Temperature
Outside T
Layer Count
Heat Transfer Coeff

Inner HT Corr
Heat transfer correlation for Inner Heat Transfer Coefficient. Choices are:
l Constant (default)
l FreeConv – Free Convection – suitable for estimating heat transfer where velocities are low, such as for
separators. If PhaseZone is selected (see below), heat transfer coefficients will be calculated on a phase
basis. Otherwise an overall coefficient will be calculated using bulk properties
Inner HTC
Inner HTC Scale

Outer HTC
Information related to the radiant heat transfer inside and outside the reactor is defined within this frame.

Checking this option includes radiant heat transfer on the inside of the reactor. The radiant heat transfer is



Checking this option includes radiant heat transfer on the outside of the reactor.
Radiant HT Method
The method used to calculate the radiant heat transfer on the outside of the reactor.
Grey Body
(Kern, 1950).
ISO Fire Heat




Layer Name
Density
Heat Capacity
Thickness
Walls Detailed
Area
geometry.
Duty
Temperature
and layer-2 outer
PhaseZone Loss
This option is available only for equipment types where detailed geometry information is available.
This model is similar to the detailed heat loss model, except that it allows for the specification of different heat
transfer coefficients depending on the fluid phase in contact with the equipment wall. It calculates and reports
heat loss for each zone, and also reports the overall heat loss
The area associated with each zone is specified as a fraction of the overall area, and is calculated by the
VMGSim based on geometry and fluid levels.
Radiant Heat Transfer can be selected for PhaseZone Loss. In this case, the user must provide an emissivities
for each phase zone.
Roof/Wall/Floor Zone Loss

This model is similar to PhaseZone loss. However, on the outside of the separator, the zones are the roof, wall,
and floor of the separator, rather than the vapor and liquid wetted regions.
Depressuring (Tab)
Void Fraction Calculation
Void fraction calculators are used when performing depressuring studies. During a sudden depressuring of a
separator, vapor bubbles form in the liquid, causing the liquid to expand. As a result, a top blowdown may have
entrained liquid, even if the liquid surface was initially below the nozzle. The void fraction in the liquid can be cor-
related as a function of the bubble rise velocity, and the vapor superficial velocity above the interface.
The Depressuring tab on the separator allows the selection of void fraction calculator: [Sim-
ple,Bubbly,Churn,TopBias].
Simple is the default, which use the unexpanded liquid level to determine the vapor fraction in the nozzle.
Bubbly uses the formula
where α is the average void fraction and C0 is a tuning constant

Churn Turbulent uses the formula
TopBias assumes that there is a dead zone at the bottom of the liquid which does not expand. It uses the same
expansion formula as the Churn Turbulent model.
The Bubbly model assumes a uniform bubble distribution – i.e. the void fraction at the surface is the same as the
bulk void fraction. For the Churn/TopBias models, the void fraction at the surface is given by
Note that these correlations are designed for a blowdown scenario – they use only the vapor superficial velocity
and bubble rise velocity as correlating parameters. If you enable these correlations for other scenarios, such as
normal vapor/liquid separation, you will most likely significantly overpredict the liquid expansion, and results
may be incorrect.
Input Data
Void Frac Calc Type

Select one of [Simple,Bubbly,Churn,TopBias]. Simple is the default, and implies no liquid expansion.
Void Fraction
This is the calculate bulk void fraction
Surface Void Fraction

This is the calculated surface void fraction
Tuning Param
This is the C0 parameter in the formulas
Frac Non Boiling

This is the height of the non-boiling region expressed as a fraction of the separator vertical dimension.
Reported Levels
Both the expanded levels and the equivalent clear liquid levels are reported.
Reference
Fisher, H.G. et al, Emergency Relief System Design Using DIERS Technology, AIChE, 1992, pp 5-29
Fire Heat calculation
Fire heat calculation allows the user to calculate the heat load on a pressure vessel in a fire scenario. The fire
heat input calculations should normally be used in conjunction with a heat loss model.
If no heat loss model is present, the calculated fire heat input duty is added directly to the process fluid in the ves-
sel. If a heat loss model is present, the fire heat input duty replaces the calculated duty between the outer sur-
face of the vessel and the surroundings.
As an alternative to a Fire Heat Calculation, one can use Radiant Heat Transfer in the Detailed or PhaseZone
Heat Loss Model, and specify the outside temperature to be he estimated flame temperature.
Calculator Active
Check this to enable the calculations
Duty
The total calculated heat flux from the fire to the vessel
Formula
Area Power
Q = (Const 2)*A(Const 1)
Generic
Q = Const 1 + Const 2 * Integrator Time + Const 3*(Const 4 - T Vessel) + Const 5 * Wetted Area Percent /
Nominal Wetted Area Percent
Radiant Heat Input

Q = Const 2
This option allows for additional heat input/losses from the vessel outer surface - i.e. the net heat
flux to the outer surface in general will not match the specified value. If you need a fixed heat flux,
choose one of the two options above.
This option can be used, e.g to model solar radiation on the outside of the vessel. The solar radiation will be bal-
anced ainst all the other heat loss contributions to determine net heat loss/gain.
Area Type
Total
The entire vessel surface area is used in the formula
Wetted Nominal
The fraction of the area which is in contact with liquid on the process side is used. The user wishes to specify
this fraction.
Wetted Actual
The fraction of the area which is in contact with liquid on the process side is used. The simulator calculates this
fraction.
Area
The total area of the vessel
Wetted Area
The area of the vessel which is in contact with liquid on the process side
Const 1 – Const 2
The correlating parameters for the heat calculation formula
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Conversion Reactor Dynamics Example

Conv reac dyn.vmp
This example is the same case as is the steady state conversion reactor documentation (Con-
versionReactor.vmp). Two variants have been set up: one with simultaneous/parallel conversion, and one with
sequential conversion.
CSTR - Dynamics
Main Flow sheet
PFD Stencil
Examples Reactors\CSTR1 Dyn.vmp

Reactors\cstr liq dyn.vmp
General
The CSTR unit operation models a Continuously Stirred Tank Reactor (CSTR). The CSTR model can accom-
modate simple or complex kinetics with or without energy transfer.
Summary (Tab)
Main Data
OutQ
The energy stream out of/into the CSTR. Energy out will be a positive value and energy in will be a negative
value.
Outlet T
Delta P
The pressure drop over the CSTR.
Percent Level
Level
Configuration
This allows the user to specify the vessel geometry and the reaction phase.
Orientation
The vessel orientation – vertical or horizontal.
Inclination
details).
Length
The vessel length
Diameter
The vessel diameter
Volume
The volume of the vessel .
Thickness
Head Design
Ellipsoidal
None
Custom
Flat
Dished
DIN ToriSpherical
Din SemiEllipsoidal
ASME F&D
Head Axis Ratio

This is used to model elliptical heads on a vessel. The value is the ratio of the minor to the major axis for the
Reported levels are impacted by this option. For a vertical separator, level is reported based on the Total
Length of the separator.
Head Geometry
Crown Radius
Knuckle Radius
Spherical Limit
Knuckle Height
Crown Height
Split Phases
the settings tab.
Heat Loss Calc Type

Split Phases
the settings tab.
Reaction Phase
Specify the phase for the reaction
Liquid Ports
Level Control
Internal Level Ctl

Upper Level Tap

Lower Level Taps

Material
This area shows the connected objects and the In_Material and Out_Material port information.
Reactions (Tab)
Add/Edit…
compound in the reaction. Note that VMGSim convention is that reactants are negative values, products are
Kinetics (Tab)
The Kinetics tab contains all the necessary convergence controls for the CSTR reactor and is where the reac-
tion kinetics are added and/or edited.
Reaction
Use the drop down menu to select the reaction to be edited. Note that Advanced kinetics are not currently sup-
ported in dynamics
Calculation Basis
Select the concentration basis to be used for the kinetic expression.
Basis Units
Select the units associated with the selected Calculation Basis.
Rxn. Rate Units

Select the unit sfor expressing the reaction rate
Forward/Reverse
A
Specify the pre-exponential factor for the forward/reverse reaction
E
Specify the activation energy for the forward/reverse reaction
Rxn Order
Specify the exponent for each component in the forward/reverse rate expression

modify the kinetic expressions either by changing the variables directly or by connecting them through signal
ports.
Heat Loss (Tab)

Heat Loss Calc Type
Simple Heat Loss

Duty
Calculated duty.
UA
U
Area
Process T
Outside Data
Ambient Temperature
Outside T
Outside T
Detailed Heat Loss

Duty
Calculated duty
Process T
Outside Temp Source
Ambient Temperature
Outside T
Layer Count
Heat Transfer Coeff

Inner HT Corr
Inner HTC
Inner HTC Scale

Outer HTC




Radiant HT Method
Grey Body
(Kern, 1950).
ISO Fire Heat




Layer Name
Density
Heat Capacity
Thickness
Walls Detailed
Area
geometry.
Duty
Temperature
and layer-2 outer
PhaseZone Loss

Depressuring (Tab)

may be incorrect.
Input Data
Void Frac Calc Type

Void Fraction

Tuning Param
Frac Non Boiling

Reported Levels
Reference
Calculator Active
Duty
Formula
Area Power
Generic
Radiant Heat Input

Q = Const 2
Area Type
Total
Wetted Nominal
this fraction.
Wetted Actual
fraction.
Area
Wetted Area
Const 1 – Const 2
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
CSTR Dynamics Examples

CSTR1 Dyn.vmp
This is the same example as in the CSTR1.vmp case described in the steady state documentation. The steady
state reactor appears in the main flowsheet, and the dynamic equivalent is in the Dyn flowsheet
cstr liq dyn.vmp

This example shows an esterification reaction taking place in the liquid phase: Methanol + Acetic Acid <->
Methyl Acetate + Water.
Again, the steady state model is in the main flowsheet, and the dynamic model is in the Dyn flowsheet.
Equilibrium Reactor - Dynamics

Main Flow sheet
PFD Stencil
Examples Reactors\eqReactor Dyn.vmp

Reactors\eqReac Liq Dyn.vmp
General
Equilibrium reactors are used to model chemical reactors where the reactions are controlled by thermodynamic
equilibrium.
Reactor Type
Equilibrium
The user must specify the stoichiometry for all the reactions involved and then define the equilibrium constants
in the “Reaction Constants” tab.
Gibbs
Use the drop down menu to specify a Gibbs Reactor. The user cannot specify the reactions. Instead, the sys-
tem is solved with a Gibbs minimization calculation based on atom balances as constraints. Non-reactive com-
pounds can be defined in the “Reaction Settings” tab.
Summary (Tab)
Main Data
OutQ
The energy lost from the Equilibrium Reactor. By default, this value is positive for exothermic reactions. This
convention may be modified in the Settings tab.
Outlet T
Delta P
The pressure drop at the inlet of the Equilibrium Reactor.
Percent Level
Level
Configuration
Orientation
The reactor orientation – vertical or horizontal.
Inclination
details).
Length
The reactor length
Diameter
The reactor diameter
Volume
The total reactor volume
Thickness
Head Design
Ellipsoidal
None
Custom
Flat
Dished
DIN ToriSpherical
Din SemiEllipsoidal
ASME F&D
Head Axis Ratio

This is used to model elliptical heads on a reactor. The value is the ratio of the minor to the major axis for the
ellipse. A typical value would be 0.5, which implies that the elliptical portion of the reactor extends out ¼ of the
Note that if this feature is used, the reactor Length defines the distance between the tan lines. I.e. Total Length
= Length + Head Axis Ratio * Diameter
Reported levels are impacted by this option. For a vertical reactor, level is reported based on the Total Length of
the reactor.
Head Geometry
Crown Radius
Knuckle Radius
Spherical Limit
Knuckle Height
Crown Height
Heat Loss Calc Type

Split Phases
the settings tab.
Reaction Phase
Specify the phase for the reaction
Liquid Ports
The sign convention for the OutQ value.
Level Control
Internal Level Ctl

Upper Level Tap

Lower Level Taps

Material
Reactions (Tab)
The Reactions tab is where reactions are added and configured. The stoichiometric coefficient matrix for the
reactions will be displayed here as soon as they are configured.
Add/Edit…
Adding a Reaction
compound in the reaction. Note that VMGSim convention is negative values for reactants and positive values
for products, and a value can be left blank for any compound that does not take part in a particular reaction.
Editing a Reaction
To edit a stoichiometric coefficient, click on the desired parameter and enter a new value. Note that the mes-
Reaction Constants
The Reaction Constants tab contains all the necessary configuration tools for the equilibrium reactor and is
where the reaction equilibrium parameters are managed.
Equilibrium Constant
Drop down menu that allows the user to select the type of equilibrium data used to solve the reactor.
K-T Table
Equilibrium and temperature data for the equilibrium reactor can be entered here. This data will then be
regressed and used to determine the parameters of the equilibrium expression used in the solution of the
reactor. The equation shape is the following,
Plot
If the K-T Table Equilibrium Constant method is chosen, a Plot button will appear on the bottom right hand
corner of the Reactions Constants tab. This will allow the user to plot equilibrium data as well as the equilibrium
expression fit to the data.
Gibbs Free Energy

The equilibrium constant will be calculated using the ideal gas Gibbs free energy for each of the compounds
present in the reaction.
For every reaction,
= Gibbs free energy of component i at a reference state, evaluated at Compound Ti (same as T when no
approach temperature is defined)
R = Gas constant
K Specified
Allows a constant equilibrium constant to be specified.
A,B,C and D Specified

Allows the A, B, C and D parameters in the equilibrium expression to be specified for the equation shape,
Calculation Basis
Pull down menu to select the basis for the equilibrium calculation.
If “Gibbs Free Energy” is chosen for the Equilibrium Constant, the Calculation Basis must be Activity
Edit
The Edit button in the lower right hand corner of the Reactions Constants tab allows the equilibrium data to be
edited.
Phase
Select the phase in which reactions take place.
Units
Select the units corresponding to the calculation basis.
App To Eq.
This tab is used to model deviation from equilibrium in the calculations.
The variables that end with “_AppT” specify an approach temperature for the reaction. This means that the
reactor is solved using the equilibrium constant calculated at a temperature defined as,
Reaction T = Reactor T – App T.
In other words, if the outlet temperature of the reactor is 100 C and an approach temperature for the first reac-
tion (Rxn0_AppT) is defined as 10 C. Then the equilibrium constant of the first reaction will be calculated at 90
C.
Approach to equilibrium on a percent basis is not available in dynamics, because the calculation would lead to
erratic behavior when the feed conditions change
Approach T / Component
Use this option to define an approach temperature per component. When this option is checked, the following
grid becomes visible,
These variables specify an approach temperature per component when requesting the Gibbs free energy.
These variables are only used when the type of reactor is “Gibbs Reactor” or when the calculation basis of the
reactor is “Gibbs Free Energy”
The approach temperature is defined as:
App Ti = Reactor T – Compound Ti
where i = compound index

In other words, the standard Gibbs free energy of component i is evaluated at a temperature different than the
reactor temperature.
The base equations of an Equilibrium Reactor with “Calculation Basis = Gibbs Free Energy” can illustrate how
the results are affected:
From definition, for any reaction
Rearranged,
= Gibbs free energy of component i at a reference state evaluated at Compound Ti.

R = Gas constant
= Standard free energy change

The approach temperature term affects the temperature at which is calculated, thus affecting the equi-
librium constant.
Reaction Settings
This tab is visible only when using a Gibbs Reactor. It is used to define the components that are non-reactive
when performing the Gibbs free energy minimization.
Reference: “Chemical Reaction Equilibrium Analysis: Theory and Algorithms”; Smith, W. & Missen, R.; John
Wiley & Sons; 1982
Heat Loss (Tab)

Heat Loss Calc Type
Simple Heat Loss

Duty
Calculated duty.
UA
U
Area
Process T
Outside Data
Ambient Temperature
Outside T
Outside T
Detailed Heat Loss

Duty
Calculated duty
Process T
Outside Temp Source
Ambient Temperature
Outside T
Layer Count
Heat Transfer Coeff

Inner HT Corr
Inner HTC
Inner HTC Scale

Outer HTC




Radiant HT Method
Grey Body
(Kern, 1950).
ISO Fire Heat




Layer Name
Density
Heat Capacity
Thickness
Walls Detailed
Area
geometry.
Duty
Temperature
and layer-2 outer
PhaseZone Loss

Depressuring (Tab)

may be incorrect.
Input Data
Void Frac Calc Type

Void Fraction

Tuning Param
Frac Non Boiling

Reported Levels
Reference
Calculator Active
Duty
Formula
Area Power
Generic
Radiant Heat Input

Q = Const 2
Area Type
Total
Wetted Nominal
this fraction.
Wetted Actual
fraction.
Area
Wetted Area
Const 1 – Const 2
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Equilibrium Reactor Example

eqReactor dyn.vmp
This case is the same as the equilibrium reactor example in the steady state documentation. There is a steady
state reactor in the main flowsheet, and the dynamic equivalent in the Dyn flowsheet.
eqReac Liq dyn.vmp

This example shows an esterification reaction taking place in the liquid phase: Methanol + Acetic Acid <->
Methyl Acetate + Water.
Again, the steady state model is in the main flowsheet, and the dynamic model is in the Dyn flowsheet.
Plug Flow Reactor - Dynamics

Main Flow sheet
PFD Stencil
Examples Reactors\PFR1 Dyn.vmp

In the plug flow (PFR) or tubular flow reactor the feed enters at one end of a cylindrical tube and the product
exits at the other end.In dynamics, the PFR is modeled as a series of well-mixed sections in series. The user
selects the number of sections, and hence how closely the flow approximates plug flow.
Summary (Tab)
Main Data
Delta P
The pressure drop over the PFR.
OutQ
The energy stream out of/into the PFR, energy out will be a positive value and energy in will be a negative
value.
Heat Loss Calc Type

The type of heat loss calculator. See the Heat Loss tab for more details
U
The overall heat transfer coefficient between the contents of the PFR and the surroundings. (Used with simple
heat loss)
Outside Temp Source

The outside temperature can be either the global value (Ambient) or a user selected value (Specified)
External T
The temperature of the surroundings of the PFR, the default value is 77°F/25°C.
PFR Configuration
Reaction Phase
The fluid phase in which the reaction takes place
Length
The length of the PFR.
Inner Diameter / Outer Diameter

The inner/outer diameter of the PFR. (The inner and outer diameter can be specified using the Pipe Selection
button at the bottom of the form)
Roughness
The relative roughness of the pipe wall
Elevation 0/1
The elevation at the ends of the reactor
Volume
You can specify volume, in which case the length will be back-calculated
Catalyst Data
This area contains information related to catalyst in the PFR. This frame is only visible if a catalyst based option
is selected in the PFR such as a pressure drop or detailed heat transfer correlation.
Catalyst Shape
Packing
Diameter
Aspect Ratio
Hollow ID
Thermal Cond
The average thermal conductivity of the catalyst bed should be entered here if the detailed heat transfer option
is selected and a catalyst based inner heat transfer correlation is chosen.
Bed Void Fraction

O'Neill, 2005).
Catalyst Pressure Drop Correlations

All catalyst pressure drop options use the information supplied in the catalyst data frame. For these correlations
the default roughness of 0.0001 m should be used for standard results. An increased or decreased roughness
can be provided to fine tune pressure drop results if plant data is available for matching.
Catalyst (Ergun)
This pressure drop correlation uses the standard Ergun equation (Ergun, 1952). If liquid phase is encountered
in the reactor the liquid volume fraction is considered removed void fraction in the catalyst bed.
Catalyst (Vap-VapLiq)
This pressure drop correlation is based off a calculated friction factor that covers a higher range of catalyst
porosity and Reynolds numbers (Tallmadge, 1970). Lower liquid phase volumes can also be handled in this cor-
relation to estimate the increased pressure drop associated with downward co-current flow trickle bed reactors
(Fremont and Bischoff, 1990).
Material
Reactions (Tab)
Add/Edit…
Adding a Reaction
Type a name in the <New> box to add a reaction then enter the appropriate stoichiometric coefficients for each
compound in the reaction. Note that VMGSim convention gives negative values to reactants, positive values to
products and a value can be left blank for any compound that does not take part in a particular reaction.
Editing a Reaction
Kinetics (Tab)
The Kinetics tab contains all the necessary convergence controls for the PFR reactor and is where the reaction
kinetics are added and/or edited.
Reaction
Use the drop down menu to select the reaction to be edited. Note that Advanced kinetics are not currently sup-
ported in dynamics
Calculation Basis
Select the concentration basis to be used for the kinetic expression.
Basis Units
Select the units associated with the selected Calculation Basis.
Rxn. Rate Units

Select the unit sfor expressing the reaction rate
Forward/Reverse
A
Specify the pre-exponential factor for the forward/reverse reaction
E
Specify the activation energy for the forward/reverse reaction
Rxn Order
Specify the exponent for each component in the forward/reverse rate expression

modify the kinetic expressions either by changing the variables directly, connecting them through signal ports or
running case studies on them.
Profile (Tab)
Contains a table of PFR values that can also be plotted. By default, the segment number and the corresponding
axial length, pressure, temperature, enthalpy and mole flow are displayed.
Properties
Drop down menu used to select the property set that is displayed in the table and that can be plotted.
Add/Remove
Opens a form to add or remove the properties to include in the profiles. Any property selected here becomes
available in the Plot tab.
The form to select properties includes an option to display an extended list of properties including physical prop-
erties, special properties and hydrates.
Plot (Tab)
Plots different profiles from the PFR.
X-Axis
Y-Axis
2Y-Axis
Pull down menu that allows a second Y-axis to be plotted and what variable will be plotted on the second Y-
axis.
View
Selects the type of variables to plot including physical properties, flows and rates of reaction.
Plot control
Check Boxes
a black and white or color plot or switch the y-axis between a linear or logarithmic scale.
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Heat Loss (Tab)

Heat Loss Calc Type
Simple Heat Loss

Duty
Calculated duty.
UA
U
Area
Process T
Outside Data
Ambient Temperature
Outside T
Outside T
Detailed Heat Loss

Duty
Calculated duty
Process T
Outside Temp Source
Ambient Temperature
Outside T
Layer Count
Heat Transfer Coeff

Inner HT Corr
Inner HTC
Inner HTC Scale

Outer HTC




Radiant HT Method
Grey Body
(Kern, 1950).
ISO Fire Heat




Layer Name
Density
Heat Capacity
Thickness
Walls Detailed
Area
geometry.
Duty
Temperature
and layer-2 outer
PhaseZone Loss

Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
PFR1 Dyn.vmp
This example shows the same PFR as in the PFR1.vmp demo case, but a dynamic model has been added in
the Dyn flowsheet.
Recombination
Recombination
Main Flow sheet
PFD Stencil
Examples Recombination.vmp
General
To characterize and monitor multi-phase fluid produced from oil or gas wells temperature, pressure, flow and
composition data is collected, often by phase. Temperature, pressure and flow data is likely to be measured
more frequently than compositional data that requires processing at a laboratory and therefore involves a
longer lead time.
Inconsistencies are almost certain to arise if field measurements, that were taken at different times, are used as
data points to configure a process simulator. This is because the equilibrium condition will be affected by dif-
ferent liquid and vapour ratios, temperatures, pressures and compositions. These attributes in the field are in
constant flux and if the measurements are not contemporary a recombination of the measurements will not res-
ult in the same equilibrium condition.
The unit assumes that for a composition measured at the surface, if the surface conditions change, the com-
position of the reservoir fluid will remain relatively constant but the phase compositions at the surface will be dif-
ferent. Therefore the Recombination unit operation can estimate the effect on surface phase composition for
changing temperatures, pressures and flows.
The Recombination Unit Operation is designed to reconcile the data and provide an entry point to a process sim-
ulation from the field data.
The connections of the Recombination unit operation can be viewed by clicking the Schematic / Connection
node.
Summary Tab
Reference Condition and Reference Composition
The Recombination unit operation requires reference information for the reconciliation calculations. This would
be measured or estimated pressure, temperature, flow and composition data.
Recombination T
The temperature at which the measured data is at equilibrium. For example, separator temperature.
Recombination P
The pressure at which the measured data is at equilibrium. For example, separator pressure.
Gas Flow
Flow rate of gas phase at equilibrium.
Condensate Flow
Flow rate of hydrocarbon liquid phase at equilibrium.
Water Flow
Flow rate of water phase at equilibrium.
Ref' Gas
Last available or estimated composition of the gas phase. Select a stream from the flow sheet that represents
the composition.
Ref' Condensate
Last available or estimated composition of the hydrocarbon liquid phase. Select a stream from the flow sheet
that represents the composition.
Ref' Water
Last available or estimated composition of water phase. Select a stream from the flow sheet that represents the
composition.
Output
The Recombination unit operation will regress the surface phase compositions until an equilibrium condition is
found that matches the reference conditions. Therefore the output of the unit will be a product fluid that is at equi-
librium at the reference temperature, pressure and flow rates specified under Reference Condition.
Configuration
The Configuration frame contains options to adapt the unit.
Product Streams
The output of the unit can be changed to three, two or a single phase product stream.
Override T,P
Selecting this check box allows the output of the unit to be set to equilibrium at the override temperature and
pressure. It is equivalent to adding a separator to the flow sheet after the Recombination unit operation.
Override Flows
Selecting this check box allows the flows to be set by phase. this allows the user to explore the effect of altern-
ative gas, liquid ratios.
Recombination Example
Scenario
An oil producer measures the compositions, temperature, pressure and flows at a three phase inlet separator.
Three months later the equivalent temperature, pressure and flows are re-measured but the compositions are
not. The company uses the Recombination unit operation to predict the condensate composition.
The original data was measured as follows:
Example
Start a VMGSim project and select the Advanced_Peng_Robinson property package. Add METHANE,
ETHANE, PROPANE, n-BUTANE, n-PENTANE, n-HEXANE, n-HEPTANE, n-OCTANE, n-NONANE, n-
DECANE, n-UNDECANE, n-DODECANE, n-TRIDECANE, n-TETRADECANE, n-PENTADECANE, n-
HEXADECANE and WATER. Switch the unit set to SI.
Add three material streams to the flow sheet and name them: gas, condy and water. Add the component mole
fractions from the measured compositions to these streams:
Add a Recombination op to the flow sheet and enter the temperature, pressure and flow rates that were meas-
ured with the composition data and in the Reference Composition form select the respective reference
streams:
The regressed equilibrium composition can now be seen in the ports of the Recombination unit operation.
Because the measurements were contemporary the composition will be similar to the measured data.
To calculate the condensate composition at the second condition enter the following measured data to the
Reference Condition form:
The condensate composition at the second condition can now be seen in the Recombination unit operation's
Condensate port.
Relief Valve
Relief Valves
Main Flow sheet
PFD Stencil
Examples Piping and Flow\ReliefValve.vmp
General
The Relief Valve unit operation models a Relief Valve that is capable of handling 2 phase flow. The Relief Valve
will calculate an orifice area given for a given set of inlet conditions, along with a specified vapor discharge coef-
ficient, liquid discharge coefficient and back pressure using the homogeneous equilibrium model (HEM)
(Appendix B in API-520 8th edition). It will solve for flow if orifice area is specified.
Number of Sections
The calculation of the mass flux and consequently the orifice area contains an integral. The number of sections
represents the number of sections used to represent this integral numerically. Setting the number of sections to
0 or a negative value will cause the default number sections to be used.
Summary(Tab)
Main Data
Design Back Pressure

The design pressure at the outlet of the relief valve. The outlet pressure of the relief valve will be set to either the
back pressure or the choke pressure depending on the "Outlet P Mode" setting.
Choke Pressure
The discharge pressure where the mass flux through the relief valve is a maximum. If this pressure is higher
than the back pressure the flow is undergoing choked flow. In the case of choked flow the ChokePressure value
will be displayed and the outlet pressure of the relief valve will be set to either the back pressure or the choke
pressure depending on the "Outlet P Mode" setting.
Orifice Area
Actual orifice area of the relief valve.
Liq Disch Coefficient

Correction factor to account for friction losses.This value is applied to the liquid phase but its behaviour can be
adjusted in the Settings tab with the Phase Disch. Coeff. Mode variable.
Vap Disch Coefficient

Correction factor to account for friction losses. This value is applied to the vapour phase but its behaviour can
be adjusted in the Settings tab with the Phase Disch. Coeff. Mode variable.
Kb
Back Pressure Correction Factor. The default value is 1.
Mass Flux At Curr. Cond.

Mass flux based on effective area. Mass Rate = Mass Flux * Area * Discharge Coefficient
Material
In the case of choked flow the outlet pressure will be set to equal the choke pressure, otherwise the outlet pres-
sure will equal the back pressure.
Settings(Tab)
Settings
Outlet P Mode
Set the calculation mode of the Outlet Pressure (Use Back P, Use Choke P). This pressure is set on the outlet
of the relief valve.
Outlet Conditions
Calculation to define outlet conditions.
Isenthalpic
Outlet assumes isenthalpic path. Represents conditions at outlet flange. Does not account for kinetic energy.
Isentropic
Outlet assumes isentropic path. Represents conditions at orifice/choke.
Phase Disch. Coeff. Mode

This variable can be used to modify how the discharge coefficients per phase are applied to the calculations.
Per Phase
Use the discharge coefficient based on the phase of the outlet. The discharege coefficients are proportionally
applied relative to volume fraction for two phase situations.
Use Vap. Coeff. if Choked

Use the discharge coefficient of the vapour for choked flow regardless of the phase of the fluid. Otherwise use
the liquid discharge coefficient
.
Profile(Tab)
The profile tab presents a table of the Mass flux, delta pressure (DP), Temperature (T), Pressure (P), Vapor
Fraction (VapFrac) and the Mass Density for each segment in the relief valve.
Plot(Tab)
Allows selected relief valve properties to be plotted and viewed.
X-Variable
Pull down menu to change the X-axis variable plotted.
Y-Variable
Plot Window
Plot Control
Check Boxes
a Black & White or Color plot or switch the y axis between a linear or logarithmic scale.
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Equilibrium Results(Tab)
ReliefValve Example
In this example a ReliefValve unit operation is used to simulate the relief of a light hydrocarbon stream. Create a
new VMGSim case, select an Advanced_Peng-Robinson property package and add Methane, Ethane and Pro-
pane to the system. Switch the unit set to SI.
Create a Relief Valve unit operation and connect S1 to it’s in port. now specify the design back pressure to be
2200 kPa and a value of 0.975 for both the liquid and vapor Discharge Coefficients. The Relief Valve will solve
and should appear as below.
Choked flow is found to occur at a pressure of 2216 kPa. Select the plot tab and select the X variable to be Pres-
sure in order to examine the Mass flux profile vs pressure.
Relief Valve Dynamics

Relief Valve - Dynamics
Main Flow sheet
PFD Stencil
General
The Relief Valve unit operation models a Relief Valve that is capable of handling 2 phase flow. The Relief Valve
will calculate relief valve performance for a given set of inlet conditions, along with a specified vapor discharge
coefficient, liquid discharge coefficient and back pressure using the homogeneous equilibrium model (HEM)
(Appendix B in API-520 8th edition), or the frozen flash model (API RP 520, 7th Ed. (2000))
Summary(Tab)
Main Data
% Opening
The percent open of the valve (for proportional, area at choke = Orifice Area * % Opening). For a Pop type
valve, the choke area is a function of the opening only when it starts to open and before it pops
fully open.
Type
Select the type of the relief valve. The options are:
l Pop - The relief valve will open gradually until the Fully open pressure is reached, and then pop
open. It will close gradually until the Reseat Pressure is reached and then pop shut.
l Proportional - The relief valve opening will be proportional to the pressure between the set pressure
and the fully open pressure
Orifice Size
Selecting a standard orifice size will automatically set the physical orifice area, together with a discharge coef-
ficient of 0.86. Note that the API effective area is the physical area*0.86.
Set Pressure - Pop Type

The pressure at which the valve pops fully open.
Set Pressure - Proportional Type

The pressure at which the valve starts to open. For a proportional relief valve, the opening is linear between the
set pressure and the fully open pressure.
Inlet Pressure Drop

The frictional pressure drop between the upstream reservoir and the vessel.This does not include pressure
changes due to static or kinetic effects. If the inlet pressure drop is non-zero and the flow is zero, then there may
be a discontinuity in the supplied elevations. Ensure that there are no gaps in elevation between connected unit
ops.
Design Back Pressure

The expected downstream pressure when the relief valve is shut.
Orifice Area
The choke nozzle cross-sectional area.
Vapour/Liquid Discharge Coefficient

The ratio of the actual discharge flow to the theoretical choked flow for the given valve orifice size.
Advanced
Balanced design
Flag to indicate if the valve is a balanced design valve
Flow Method
DIERS_HEM
Flow is calculated using the DIERS HEM (Homogenous Equilibrium Model) method. This assumes isentropic
expansion of the fluid from inlet pressure and zero velocity to choke pressure and velocity. This follows the meth-
odology outlined in API RP 520, 8th Ed (2008)
Frozen Flash
This calculation is equivalent to the DIERS HEM method for single phase vapor discharge. However, it
assumes “frozen flash” for the multi-phase case, and assumes that liquid is incompressible. This follows the
methodology outlined in API RP 520, 7th Ed. (2000)
Fully Open Pressure Ratio

The pressure at which the valve is fully open, relative to the set pressure. For a proportional relief valve, the
opening is linear between the set pressure and the fully open pressure. The default value is 110% .
Leak Pressure Ratio - Pop Type

The pressure at which the relief valve will start to open, relative to the set pressure. The default is 95 %.
% Leak Before Pop - Pop Type

The percentage the valve will leak before the valve pops fully open. The default value is 5%.
Reseat Pressure Ratio - Pop Type

The pressure at which the valve will pop shut, relative to the set pressure. The default value is 90%.
Reseat Percent - Pop Type

For a Pop type valve, the valve will close gradually from the Fully Open Pressure to the Reseat Pressure. When
the Reseat Pressure is reached, the valve will still be part open, just before snapping shut. This specifies that
percentage opening. The default value is 60%.
Use Backpressure Curve

Checking this option makes a new Curves tab visible where the user can specify a backpressure curve.
Backpressure Correction
The calculated backpressure correction (Used only when Use Backpressure Curve is active).
Isentropic Coefficient
The polytropic exponent for isentropic expansion between the upstream pressure, and the choke/orifice pres-
sure.
Mass Flux At Curr. Cond.

This shows the mass flux that will flow at current conditions. This value is calculated whether the relief valve is
currently open or not. The value can be used to calculate the area required for a specified relieving flow. Area =
Required Rate / (Mass Flux * Discharge Coefficient)

The ratio between the upstream pressure and the choke pressure.
Omega
The DIERS Omega factor (the ratio of the fractional change in fluid volume to the fractional change in pressure
between the inlet and the choke pressure )
Reaction Force Method
API Vapor
Uses the correlation for vapor flow given in API-520.
API Two-Phase
Uses the correlation for two-phase flow given in API-520. Note that the API standard includes scale factors to
adjust for the units, but a self-consistent set of units do not require any adjustments.
Liquid
Assumes incompressible fluid to calculate the nozzle velocity and subsequent reaction force.
No Slip
Directly calculates the (no slip) velocity at the nozzle for either vapor, liquid, or two-phase flow, and uses this
value to calculate the reaction force.
Auto
Automatically chooses between the API methods and the liquid method depending on the exit composition.
Auto API
Automatically chooses between the API Vapor and API Two-Phase methods depending on the exit com-
position.
Tail Pipe Diam

The diameter of the tailpipe on the relief valve.
Reaction Force
This shows the reaction force on the valve. This is the force that the fluid exerts due to the momentum change
through the valve.
Noise Calc Method

The method used to calculate the acoustic vibrational power of the valve.
Energy Institute
Correlation from the Energy Institute publication "Guidelines for the Avoidance of Vibration Induced Fatigue
Failure in Process Pipework."
API RP 521
Correlation from American Petroleum Institute Standard 521.
VDI 2713
Correlation from the Association of German Engineers standard 2713.
Acoustic Vib. Power

The Acoustic Induced Vibration Power level around the valve.
Material Summary
Curves (Tab)
This tab is visible when "Use Backpressure Curve" is active.
Number Of Points
Enter the number of points at which you wish to specify the Backpressure Correction
Backpressure Curve
Enter curve points as percent backpressure vs correction. Points at 0% and 100% are required.
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Saturation Operation
SaturationOp
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Information Operations\SaturationOp.vmp
General
The SaturationOp is used to determine the amount of a liquid stream required to saturate a main gas feed
stream. It can also be used to determine the amount of liquid required to create a second liquid phase. The sat-
urated stream will have the same temperature and pressure as the main gas feed.
Summary(Tab)
Main Data
By default the Main Data Frame will contain the following information which is a Main Data that is either spe-
cified or calculated.
OutQ
The amount of energy required to account for any sensible and latent energy required for the Saturated mater-
ial port to have the same temperature as the Main Feed. This value will only be calculated if enough information
is available in the Saturate With port.
Saturation Mode
This variable is used to define if the saturation operation should search for the formation of the first liquid phase
(gas saturation) or the second liquid phase. The different options are described below,
Auto : If the Main Feed is a gas, then the algorithm will saturate the gas stream. If the Main Feed has some
liquid (vapor fraction < 0.99) then the saturation operation will find the amount of liquid necessary to create a
second liquid phase. The saturation unit op will not solve if Main Feed has a vapor fraction greater than 0.99 but
lower than 1.0. The user has to select a specific Phase to Saturate to solve under these conditions.
Sat. to Form 1st Liq. : Finds amount of liquid to saturate the gas.
Sat. to Form 2nd Liq. : Finds amount of liquid to drop a second liquid phase.
Saturate With
WATER: Saturates the Main Feed with water
Define Composition: The Main Feed is saturated with the composition defined in the material port Saturate
With
Advanced
Allow Partial Saturation

Enables variables to calculate partial saturation. Partial saturation is only supported when the composition in
the material port Saturate With is a pure component (e.g. WATER)
Relative Saturation
Relative Saturation is defined as: (Mole Fraction of water) / (Mole Fraction of water at complete saturation)
* In the equation above, 'water' refers to any component defined in the Saturate With material port
Water Content
Mass of Water / Std Gas of the outlet stream
Material
Main Feed
The Material port information for the main gas feed that is to be saturated.
Saturate With
The Material port information for the liquid feed that is to be used to saturate the main feed. Only a composition
is required.
Saturated
The Material port information for the saturated MainFeed; it will have the same Temperature and Pressure as
the MainFeed.
Settings(Tab)
Max Error
set of equations being solved. In this case, error is defined as the temperature difference between the
MainFeed temperature and the dew point of the saturated stream (for gas saturation).
Max Step
The maximum step size taken by the algorithm when solving the Saturation Op.
Max Num Iterations

Maximum number of iterations accepted when attempting to solve the Saturation Op.
Damping Factor
A damping factor lower than one results in smaller step changes in the iteration variables than the ones
obtained from the numerical algorithm.
Solution Method
Defines the numerical method used to solve the Saturation Op. The default is NewtonRaphson.
Saturation Vap Frac

The vapour fraction in the saturated stream exiting the SaturationOp. The default is 1.
Equilibrium Results
SaturationOp Example
This example will demonstrate the use of SaturationOp unit operation by saturating an acid gas stream with
water.
Start a new VMGSim Case. Add an APR for Natural Gas property package with the following components:
Methane, Carbon Dioxide, Hydrogen Sulfide and Water. Switch the unit set to Field. Create two material
streams and define them as shown below.
Create a SaturationOp and connect the Acid Gas stream to the MainFeed material port and the Water stream
to the SaturateWith material port. If desired an additional material stream can be created and connected to the
Saturated Material Port. The SaturationOp will have enough information to solve and will appear as below.
Note that the OutQ energy signal is left blank. Without two intensive variables specified in the Water stream, Sat-
urationOp is unable to calculate the energy required to ensure the saturated stream leaves at the same tem-
perature and pressure as the MainFeed.
Saturation Operation Dynamics

Saturation Op - Dynamics
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Information Operations\Saturation Op Dynamic.vmp
General
The Saturation Op is used to determine the amount of a liquid stream required to saturate a main gas feed
stream. It can also be used to determine the amount of liquid required to create a second liquid phase. The sat-
urated stream will have the same temperature and pressure as the main gas feed.
Summary(Tab)
Main Data
OutQ
The amount of energy required to account for any sensible and latent energy required for the Saturated mater-
ial port to have the same temperature as the MainFeed. This value will only be calculated if enough information
is available in the SaturateWith port.
Phase to Saturate
This variable is used to define if the saturation operation should search for the formation of the first liquid phase
(gas saturation) or the second liquid phase. The different options are described below,
Auto : If the MainFeed is a gas, then the algorithm will saturate the gas stream. If the MainFeed has some liquid
(vapor fraction < 0.99) then the saturation operation will find the amount of liquid necessary to create a second
liquid phase.
Sat. to Form 1st Liq. : Finds amount of liquid to saturate the gas.
Sat. to Form 2nd Liq. : Finds amount of liquid to drop a second liquid phase.
Saturation Vap Frac

The vapour fraction in the saturated stream exiting the Saturation Op. The default is 1.
Advanced
Allow Partial Saturation

Check to allow partial saturation and expose additional options.
Relative Saturation
Specifies the relative saturation, defined as (mole fraction water)/(mole fraction water at saturation)
Water Content
Specifies the desired water content in the outlet stream.
Material
MainFeed
The Material port information for the main gas feed that is to be saturated.
SaturateWith
The Material port information for the liquid feed that is to be used to saturate the main feed. Only a composition
is required.
Saturated
The Material port information for the saturated MainFeed; it will have the same Temperature and Pressure as
the MainFeed.
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.

Notes (Tab)
Saturation Op Example - Dynamics

This example will demonstrate the use of Saturation Op unit operation by saturating an acid gas stream with
water.
Start with the case created in the steady state example above. Switch the case to dynamics, and select yes
when asked if you want to initialize from steady state:
Run the integrator for a while. The Summary Tab should look like:
Scheduler
Event Scheduler
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Logical\Event Scheduler Example.vmp
General
Controllers and control loops allow the user to make changes to the process in a smooth/analog fashion. An
Event Scheduler allows the user to make discrete changes to the process based on either a timer or the value
of process variables. Typical applications for an Event Scheduler are:
l Simulation of batch processes
l Implement interlock or trip/shutdown logic
Event Schedulers are unit operations, and can be placed on any flowsheet. They can reference variables on
any flowsheet. However, cut/paste is used, then any references to variables not included in the scope of the cut/-
paste may become void. All scheduler events can be recorded to the simulator log by checking the “Log Events”
checkbox.
Sequence
A sequence is a top-level item in an event scheduler. Each sequence can be independently started, stopped, or
paused.
To add a sequence, select the top level item in the tree view on the left (the Event Scheduler Name). Then type
the desired name for the sequence in the “Base Name” edit box, and hit the “Add Sequence” button.
To view details about a sequence, select the sequence in the tree view:
Each sequence operates independently. It can be started or stopped using the “Start/Stop” button, or paused
and then resumed using the “Pause/Resume” button.
A sequence consists of a set of events that are executed sequentially.
The user can select the following behaviors when a sequence completes:
l Complete – No further action. (The sequence can be manually reset by changing the state to Inactive)
l Reset – The execution point is reset, so that a future start command will restart the sequence.
l Cycle – The sequence cycles back to the first event and continues execution.
Event
An event defines a series of actions that are executed once the event condition has been satisfied. When the
event actions have been triggered, the sequence moves to the next event, and evaluates the condition on that
event.
To add an event to a sequence, specify the desired name in the “Event Name” field, and click “Add Event”.
Information about the event condition can then be specified either on the existing view, or by clicking on the
event name in the tree to bring up the event view:
Event Conditions
Two event conditions can be defined:
Wait For: Wait for a specific time period to elapse. This is based on simulation time (i.e. the integrator displayed
time). If the wait time is zero, the condition is considered inactive.
Variable Condition: Wait for a variable to reach a target value. The condition can be “None”, “Lesser Or Equal”
or “Greater Or Equal”.
If both a wait time and a condition defined, the user can choose whether to proceed when one condition is sat-
isfied (“Or”), or when both conditions are satisfied (“And”). If no conditions are defined, the event actions will trig-
ger immediately that the event becomes active.
Timeout Condition
The user can specify a timeout condition using an “Or” condition by specifying the timeout time (in the time sec-
tion) and the corresponding wait on variable (in the variable section).
Action
An action sets a variable to a value.
To add an action to an event type the name in the “Action Name” field, and then press the “Add Action” button.
Actions are executed in the order that they are specified. For instance, an action to set a controller mode to
manual can be followed by an action to set the controller output.
Nesting Sequences
Since Event Schedulers are unit operations, they can be the target for an action. In particular, a sequence can
be strated by selecting it as an action, and then setting the sequence state to active. Sequences can also be
paused, resumed or stopped in the same way.
If you want the current sequence to wait for another sequence to complete, specify an event condition
“Sequence.State”, “Equal”, “Complete”.
Event Scheduler Example

In this example the Event Scheduler will be used to open and close the Overhead Valve of a depressuring ves-
sel.
Start a new VMGSim project and select the Advanced Peng Robinson property package with Nitrogen for a
component.
Set the Active Units Set to SI.
Create a Depressuring Assistant
Set the pressure to 2500 kPa and press Finish.

The PFD created should be similar to the following figure.
Add a Scheduler to FLDepS by dragging it from the PFD stencil.
Open the Scheduler.
Add a Sequence.
Select the Sequence in the tree.
Add two events.
Change the names of the events to be Open Valve and Close Valve, by entering the names in the Name cell.
Now set the Wait For time to be 200 s in each event.
Now select the Open Valve event in the tree and add an action.
Click on the Var Name cell beside Action and the Navigation Form will open, search for the valve VapV_VS1 %
Opening
Set the target value to be 100%.
Now select the Close Valve Event on the tree and do the same: add an action, add the Valve %Opening vari-
able, set the Target value to be 0%.
Select the Sequence on the tree, change the Completion to Cycle and click the Start/Stop button.
Go to the Assistant form, click Run, and go to the Strip Chart and do an auto scale.
Observe the flow and the pressure while the valve closes and opens.
Selector Block
Selector Block
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Information Operations\SelectorBlock.vmp
General
A selector block can be used to select one signal out of a group using a criterion such as minimum or maximum,
or it can be used to apply a linear transformation to a group of signals, such as averaging them.
The signals are often used to connect control blocks to each other, but they can also be used to calculate quant-
ities the same way that a set block is used, but with the ability to accept multiple inputs.
Summary (Tab)
Input Count
The number of inputs (minimum 1).
Active Input
The currently selected input. This value is specified by the user when the mode is Hand Sel. This value is a cal-
culated value when the mode is Minimum, Maximum or Median. This value is not used for any other mode.
Clip Values
Input and output values are kept between a minimum and maximum. The selector block is still solved if these lim-
its are not provided. By default, the values in the Selector Block are not clipped.
Calc Basis
There are three basis for calculations in the selector block,
Internal Units.
The calculations are carried out in internal units as defined by the VMG unit set (e.g. Temperature in K, Pres-
sure in kPa).
User Units.
The calculations are carried out in the units defined by the user. This is the default option and the units are set to
the corresponding active unit set by default. For example, the calculations are done in psia if the if the user con-
nects a pressure as input and the active unit set is Field.
Normalized.
The inputs and output are normalized to a value between 0 and 1 based on a minimum and a maximum value
specified by the user.
Selector Mode
The calculation mode for the selector block:
•Off – no calculations are performed
•Manual – The unscaled output is set by the user
•Hand Sel – The user specifies (through the Active Input selection) which input should be selected and trans-
ferred to the output.
•Minimum – The smallest input will be transferred to the output
•Maximum – The largest input will be transferred to the output
•Median – The middle input will be transferred to the output. If there is an even number of inputs, the lower of
the two middle value will be used
•Average – The values will be averaged and transferred to the output
•Sum – The sum of the values will be transferred to the output
•Product – The product of the values will be transferred to the output
•Quotient – The ratio of the first input value to the second input value will be transferred to the output. At least
two inputs must be specified. The extra inputs are ignored.
•Custom Equation – A new field labeled “Unscaled Output” becomes available where the user can input a cus-
tom equation. The result of this equation is assigned to the unscaled output.
The equation is based on the unscaled inputs which are referenced with the vector variable “I”. The specific
inputs are accessed with square brackets “[“, “]” and a zero based index. For example, the equation
I[0] + I[2]^2 – 23.45/exp(I[3])

adds the first input to the square of the third input and subtracts the coefficient of 23.45 and e raised to the value
of the fourth input.
In the example, “exp” is a built-in equation. The full set of built-in equations is,
ceil(x)
This is the smallest integral value >= x.
exp(x)
Return e raised to the power of x.
fabs(x)
Return the absolute value of the float x.
floor(x)
This is the largest integral value <= x.
hypot(x,y)
Return the Euclidean distance, sqrt(x*x + y*y).
log(x)
The natural logarithm (base e) of x.
log10
log10(x) -> the base 10 logarithm of x.
pi
The constant value for pi
sqrt(x)
Return the square root of x.
asin(x)
Return the arc sine (measured in radians) of x.
atan(x)
Return the arc tangent (measured in radians) of x.
acos(x)
Return the arc cosine (measured in radians) of x.
sin(x)
Return the sine of x (measured in radians).
sinh(x)
Return the hyperbolic sine of x.
cos(x)
Return the cosine of x (measured in radians).
cosh(x)
Return the hyperbolic cosine of x.
tan(x)
Return the tangent of x (measured in radians).
tanh(x)
Return the hyperbolic tangent of x.
Inputs
The raw signals/variables in the flowsheet which form the inputs to the selector block.
Unit Name
Visible when Calc Basis is set to User Units. These fields are used to set the units used when doing calculations
in the selector block.
Input Min / Max

Visible when Calc Basis is set to Normalized or when Clip Values is equal to True. These values define the min-
imum and maximum values allowed in the calculations. These values must be provided when Calc Basis is
Normalized.
Input Scale / Input Bias

These values can be used to provide an a+b*x (linear) transformation on each input.
Scaled Inputs
The value of each input after scale and bias have been applied
Output
Output
The value after output scaling has been applied.
Output Unit Name

Visible when Calc Basis is equal to User Units. This variable defines the units used in the calculations for the out-
put.
Limits
imum and maximum values allowed in the calculations.
Output Min
Defines the minimum value when Calc Basis is equal to User Units or when Clip Values is True.
Output Max
Defines the maximum value when Calc Basis is equal to User Units or when Clip Values is True
Advanced
Unscaled Output
The value before output scaling is applied.
Output Scale / Output Bias

The value as calculated by the inputs and the mode will be scaled by an a+b*x (linear) transformation before
being sent to the target.
Equation Detail (Tab)

The selector block offers an option to input programming code to calculate the output when the Selector Mode
is Custom Equation. This tab can be accessed by selecting the “Show Detail” checkbox. The following image
shows an example of an Unscaled Output equation that does not use directly the vector I,
The previous image shows the Show Detail option selected and the custom equation textbox contains the string
“Conversion” as its only value. The value for “Conversion” is assigned inside of the Equation Detail tab,
The top section contains the expression for the output value of the selector block and the lower section defines
the script that supports this expression. The script used in the selector block must be coded using the Python
programming language. The script in the previous figure is explained in the following paragraphs,
1–
#Grab the temperature and clip it manually
This is a comment. Any line that begins with a # is considered a comment and does not affect the calculations.
2–
T = I[0]
Assign the first input item and assign it to a variable called T. The input I is available by default and its size
depends on the number of inputs to the selector block.
3-
if T < 100.0:
T = 100.0
elif T > 500.0:
T = 500.0
This step showcases an “if, elif, else” statement in the Python programming language. The objective is to keep
the value of T between 100 and 500. The important things to keep in mind are,
• Python is case sensitive,

• The programming blocks such as if, for or while are separated with a : and the inside blocks must be indented
consistently. The lack of indentation inside of these blocks is the most common mistake when programming in
Python.
4–
#Define my own function in the middle
def CalculateButamerConversion(RxnTemp):
ConvPercent = -27.74 * log(RxnTemp) + 196.86
if ConvPercent < 0.0:
ConvPercent = 0.0
elif ConvPercent > 100.0:
ConvPercent = 100
return ConvPercent
This block defines a function with the “def” keyword. The function is called CalculateButamerConversion and
expects one parameter called RxnTemp. A function in the Python programming language returns a value with
the return keyword. If the function does not exit with the return keyword, the function returns an empty value
known as None.
5-
#Call the function
Conversion = CalculateButamerConversion(T)
These last lines defines the variable Conversion by calling the function CalculateButamerConversion that was
defined in the previous lines. This function is called using T as the parameter.
Selector Block Example

In this example we will show in a simple way how to use the Selector Block
Start a new VMGSim case and add an Advanced_Peng-Robinson property package with Water as com-
ponent. Switch the unit set to Field.
Create 5 material streams and specify them as shown in the table below.
S1 S2 S3 S4 S5
Temperature (F) 32 70 90 60
Pressure (psia) 200 350 500 50 800
Mole Flow (lbmole/h) 50 20 100 75 150
Water Mole Fraction 1 1 1 1 1
Create a Selector Block
Set the Input Count = 4
Connect the Inputs to the T signal ports of S1, S2, S3 and S4.
To do this, you can select the <Browse…> option on the Connection column of the Inputs.
Select the Temperature from the In port of the desired stream,
The inputs will look like the following image after the variables are connected.
Inside the Selector Block Form connect the Output to the Temperature of /S5
Observe that /S5 is solved using the Output value
Now change the selector mode to be Average
S5 resolves using the new Output Value
Test all the Selector Modes.
Selector Block Dynamics

Selector Block - Dynamics
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Information Operations\SelectorBlockDyn.vmp
General
A selector block can be used to select one signal out of a group using a criterion such as minimum or maximum,
or it can be used to apply a linear transformation to a group of signals, such as averaging them.
The signals often are used to connect control blocks to each other, but they can also be used simply to calculate
quantities an the same way that a set block is used in steady state.
Summary (Tab)
Input Count
The number of inputs. For some types of function, a maximum of two inputs are used.
Active Input
The currently selected input. This value is specified by the user when the mode is Hand Sel. This value is a cal-
culated value when the mode is Minimum, Maximum or Median. This value is not used for any other mode.
Clip Values
Input and output values are kept between a minimum and maximum. The selector block is still solved if these lim-
its are not provided.
Calc Basis
There are three basis for calculations in the selector block,
Internal Units.
The calculations are carried out in internal units as defined by the VMG unit set (e.g. Temperature in K, Pres-
sure in kPa).
User Units.
The calculations are carried out in the units defined by the user. This is the default option and the units are set to
the corresponding active unit set by default. For example, the calculations are done in psia if the if the user con-
nects a pressure as input and the active unit set is Field.
Normalized.
The inputs and output are normalized to a value between 0 and 1 based on a minimum and a maximum value
specified by the user.
Selector Mode
The calculation mode for the selector block:
l Off – no calculations are performed
l Manual – The unscaled output is set by the user
l Hand Sel – The user specifies which input should be selected and transferred to the output.
l Minimum – The smallest input will be transferred to the output
l Maximum – The largest input will be transferred to the output
l Median – The middle input will be transferred to the output. If there is an even number of inputs, the lower
of the two middle value will be used
l Average – The values will be averaged and transferred to the output
l Sum – The sum of the values will be transferred to the output
l Product – The product of the values will be transferred to the output
l Ratio – The ratio of the first input value to the second input value will be transferred to the output. At least
two inputs must be specified. The extra inputs are ignored.
l Integrate – The active input will be integrated into the output.
l Custom Equation – A new field labeled “Unscaled Output” becomes available where the user can input a
custom equation. The result of this equation is assigned to the unscaled output.
The equation is based on the unscaled inputs which are referenced with the vector variable “I”. The specific
inputs are accessed with square brackets “[“, “]” and a zero based index. For example, the equation
I[0] + I[2]^2 – 23.45/exp(I[3])
adds the first input to the square of the third input and subtracts the coefficient of 23.45 and e raised to the value
of the fourth input.
In the example, “exp” is a built-in equation. The full set of built-in equations is,
ceil(x)
This is the smallest integral value >= x.
exp(x)
Return e raised to the power of x.
fabs(x)
Return the absolute value of the float x.
floor(x)
This is the largest integral value <= x.
hypot(x,y)
Return the Euclidean distance, sqrt(x*x + y*y).
log(x)
The natural logarithm (base e) of x.
log10
log10(x) -> the base 10 logarithm of x.
pi
The constant value for pi
sqrt(x)
Return the square root of x.
asin(x)
Return the arc sine (measured in radians) of x.
atan(x)
Return the arc tangent (measured in radians) of x.
acos(x)
Return the arc cosine (measured in radians) of x.
sin(x)
Return the sine of x (measured in radians).
sinh(x)
Return the hyperbolic sine of x.
cos(x)
Return the cosine of x (measured in radians).
cosh(x)
Return the hyperbolic cosine of x.
tan(x)
Return the tangent of x (measured in radians).
tanh(x)
Return the hyperbolic tangent of x.
Output Bias Fn
A periodic function can be superimposed on the output value

after it has been scaled. Note that the effect of this biasing is not displayed in the output value – i.e. its effect will
be seen only on the target signal/variable itself
The functions currently supported are:
l None
l Const – A constant bias will be applied
l Sine Wave
l Triangular wave
l Square wave
l Ramp wave
Bias Fn Magnitude
The amplitude of the overlayed function
Bias Fn Period
The period or cycle time for the function
Inputs
The raw signals/variables in the flowsheet which form the inputs to the selector block
Unit Name
Visible when Calc Basis is set to User Units. These fields are used to set the units used when doing calculations
in the selector block.
Input Min / Max

imum and maximum values allowed in the calculations.
Input Scale / Input Bias

These values can be used to provide an a+b*x (linear) transformation on each input.
Scaled Inputs (Calculated)

The value of each input after scale and bias have been applied
Output
Output
The value after output scaling has been applied.
Output Unit Name

Visible when Calc Basis is equal to User Units. This variable defines the units used in the calculations for the out-
put.
Output Min
Defines the minimum value when Calc Basis is Normalize or when Clip Values is True.
Output Max
Defines the maximum value when Calc Basis is Normalize or when Clip Values is True
Unscaled Output
The value before output scaling is applied.
Output Scale / Output Bias

The value as calculated by the inputs and the mode will be scaled by an a+b*x (linear) transformation before
being sent to the target.
Noise magnitude
This allows adding noise to the output signal. Use this value to specify the maximum magnitude of the noise con-
tribution
Noise decay time

Noise is added at each integrator step. Each addition (innovation) is then decayed at a rate specified by the
decay time. This gives the noise a correlated appearance. Use this parameter to specify the decay time, and
hence the degree of autocorrelation.
Sample And Hold Time

This can be used to model an analyzer or any other situation where the output value updates at a slow fre-
quency.
Sample Time Remaining

This shows how much time is remaining until the next sample when Sample And Hold has been activated
Cycle Time
Sets the frequency/cycle time for executing the selector block algorithm. By default the selector block executes
every simulation step, but it may be useful to specify the cycle time to match the plant hardware.
Delay Time
Delays the output signal by the specified time.
Delay Max Order

The delay is implemented as a series of lead-lag blocks. This sets the maximum number of blocks to be used.
The default gives a behavior where, for an input step, the rise time is about 20% of the total delay time. Increas-
ing the model order makes it more accurate, but consumes more CPU time and memory.
Selector Block Example

Case SelectorBlockDyn.vmp in the “Documentation\Manual Examples” directory shows a selector block con-
figured as a minimum select. It takes the minimum of the flowrates from the two input streams, S1 and S2, and
sets that value as the flowrate for the output stream S3.
Separators
Separator
Separators
Main Flow sheet
PFD Stencil
Examples Separators\Separator.vmp
General
Separators are used to separate the contents of a material stream into phases. Contrary to other simulators,
you DO NOT have to add a separator to perform a flash. Recall that material ports keep track of the specified
degrees of freedom and as soon as degrees of freedom are completed, VMGSim will perform a rigorous flash
calculation and the results will be placed in the port. Separators just place different phases that may exist in the
In port into Out ports.
1 Liq
The 1 Liq radio button sets the separator to be a 2 phase separator.
2 Liq
The 2 Liq radio button set the separator to be a 3 phase separator.
Summary (Tab)
Material
Shows all of the configured material ports in the separator.
Settings (Tab)
Settings for the separator can be specified within this tab.
In general the less dense (mass density) liquid phase will exit in Liq0 and the denser (mass density) liquid phase
will exit in Liq1. Use the following settings to change the default order of liquid phases in the separator outlet
ports or specify the separator as a tank.
Order Liq. Phases by Key Cmp

Set to sort liquid phases based on a key component ("Key Cmp. in 2nd Liquid"). Clear to sort liquid phases
based on Property Package settings.
Key Cmp. in 2nd Liquid

Key component in the second liquid. This value is used to sort liquid phases when "Order Liq. Phases by Key
Cmp" is selected.The liquid phase that has the greatest fraction of this key component leaves the separator
through the Liq1 port.
"Min Key Cmp. in 2nd Liquid" must also be specified for phase re-ordering.
Min Key Cmp. in 2nd Liquid

Minimum key component fraction in the second liquid. This limit applies when "Order Liq. Phases by Key Cmp"
is selected and there is only one liquid phase. The liquid phase will be moved to the second liquid port only if it
meets this minimum composition of the key component.
"Key Cmp. in 2nd Liquid" must also be specified for phase re-ordering.
Is Tank
Select to mark the separator as a tank. The Tank Emissions tab will become visible on the form. Note that this
setting does not need to be on to calculate emissions using the Tank Emissions tool.

Entrainment(Tab)
This tab is used to configure carry-over for non-ideal separators in which the products are not pure phases.
Calculation Type
Defines the type of specifications used to define entrainment.
No Entrainment
The separation is assumed to be ideal (no carry over).
Feed Based
Enables variables to specify the percent of the feed phase in equilibrium that goes into the product. These vari-
ables are contained in the “Entrainment Percent” frame.
The number of variables depends on the number of phases being used in the separator. For example, a sep-
arator for 2 liquid phases with no solids will expose six variables labeled, “Vap in Light Liq”, “Vap in Heavy Liq”,
“Light Liq in Vap”, “Light Liq in Heavy Liq”, “Heavy Liq in Vap”, “Heavy Liq in Light Liq”.
In this case, “Vap in Light Liq” defines the percent of the vapour phase from the equilibrium calculation that goes
into the light liquid product (Liq0 port). An empty specification is assumed to be 0.0.
Product Based
Enables variables to specify the amount of carry over in each product. These variables are contained in the “Set-
tings” and “Entrainment” frames.
Basis can have any value from “Mole”, “Mass” and “Actual Volume” and it is used to define the basis of the
entrainment specification.
Specification Type can be either Percent or Flow and it is used to define the type of specification requested from
the user.
The number of variables in the “Entrainment” frame depends on the number of phases being used in the sep-
arator. For example, a separator for 2 liquid phases with no solids will expose six variables labeled, “Vap in
Light Liq”, “Vap in Heavy Liq”, “Light Liq in Vap”, “Light Liq in Heavy Liq”, “Heavy Liq in Vap”, “Heavy Liq in Light
Liq”.
The image below uses a specification type of flow in mass basis. In this case, “Vap in Light Liq” defines the
mass flow of vapour contained in the light liquid product (Liq0 port). An empty specification is assumed to be
0.0.
Tank Emissions (Tab)

The Tank Emissions tab shows emissions from a Tank Emissions case in the separator.
Refer to the Tank Emissions section of Emissions with VMGSim section of manual for more details.
Separator Example
The following example will demonstrate the use of a 2 phase separator by separating the liquid and vapour com-
ponents in a two phase natural gas stream.
Start a new VMGSim project, select an Advanced_Peng_Robinson property package with the following com-
ponents: nitrogen, carbon dioxide, methane, ethane, propane, i-butane, n-butane, i-pentane, n-pentane and n-
hexane. Add a material stream and specify it as shown below, with a Field unit set.
Create a separator and attach this material stream to its In port.
By default the separator has 2 Out ports. This means that in the case of a system where two liquid phases are
present, the two liquid phases are combined into one bulk phase (if VMGSim finds more than one liquid phase
this is displayed in the status bar). Click on the 2 Liqs toggle and an additional port will be added to carry the
second liquid phase.
Three Phase Separator

SeparatorLLV (Three Phase Separators)
Main Flow sheet
PFD Stencil
Examples Separators\Separator3.vmp
General
The SeparatorLLV, or a Three-Phase Separator, is identical to the unit operation Separator, with the exception
that it has three material ports by default and the number of materials ports can not be changed. The liquid
phases in the three phase separator is 2 and cannot be modified.
Summary (Tab)
Material
Shows all of the configured ports for the three phase separator.
Settings (Tab)
ports.




Entrainment (Tab)
Calculation Type
No Entrainment
Feed Based
Product Based
Enables variables to specify the amount of carry-over in each product. These variables are contained in the
“Settings” and “Entrainment” frames.
The basis can be any value from “Mole”, “Mass” and “Actual Volume” and it is used to define the basis of the
The Specification Type can be either Percent or Flow and it is used to define the type of specification requested
from the user.
Liq”.
The following figure uses a specification type of flow in mass basis. In this case, “Vap in Light Liq” defines the
0.0.
SeparatorLLV Example
The following example will demonstrate the use of a three phase separator by separating a three phase mixture
of air, methanol and n-decane at ambient conditions. Start a new VMGSim Case and add the Advanced_
Peng_Robinson property package with air, methanol and n-decane as the components. Switch the unit set to
Field. Add a Material stream and define it as shown below.
Create a SeparatorLLV and connect S1 to it’s In Port, the separator should solve and appear as below.
The methanol rich steam is the denser of the two liquid phases and as such leaves the separator via the Liq1
port. Select the Parameters tab and change the value of the KeyCmp_Liq1 from WATER 0.5 to n-DECANE
0.8. This will force any liquid phase with a n-DECANE mole fraction greater than 0.8 to leave the separator
through the Liq1 stream.
Multi Feed Sep 2

MulitiFeedSep2
Main Flow sheet
PFD Stencil
Examples Separators\MultiFeedSep2.vmp
General
MultiFeedSep2 represents a two phase separator which is capable of having multiple feeds as well as a pres-
sure drop and an Energy Duty allowing the outlet temperature and pressure to be specified.
By clicking the Schematic / Connection Node you can view a schematic diagram and connections of the Separ-
ator.
Inlets
The number of inlet ports the MultiFeedSep2 has. The number of inlet ports can be directly entered, this num-
ber will be appropriately adjusted when the Create Port / Delete Port buttons are pressed. The default number
of streams in is 1 and there must always be at least 1 inlet port. The number of liquid phases is 1.
Create Port
The Create Port button adds an In Port to the MultiFeedSep2.
Delete Port
The Delete Port button removes an In Port from the MultiFeedSep2. Please note there must always be at least
1 In Port.
Summary (Tab)
Main Data
By default the Main Data frame will contain the following information which is either specified or calculated by
the Separator Heater.
InQ
The Energy duty either specified directly or calculated based on the energy required in order to meet the spe-
cified outlet temperature. This value is specified to be 0 by default.
Delta P
The pressure drop between the inlet and outlet of the separator, either specified directly or calculated. The
default setting is 0.
Material
Settings (Tab)
ports.




Entrainment (Tab)
Calculation Type
No Entrainment
Feed Based
Product Based
The basis can have any value from “Mole”, “Mass” and “Actual Volume” and it is used to define the basis of the
Specification Type can be either Percent or Flow and it is used to define the type of specification requested from
the user.
Liq”.
The image below uses a specification type of flow in mass basis. In this case, “Vap in Light Liq” defines the
0.0.
MultiFeedSep2 Example
The following example will demonstrate the use of MultiFeedSep2 by simultaneously mixing, cooling and then
separating the resulting liquid and vapor components of two hydrocarbon streams.
Start a new VMGSim project, select an Advanced_Peng_Robinson property package with the following com-
ponents: methane, ethane, propane, n-butane, n-pentane and n-hexane. Switch the unit set to Field.
Add two material streams and specify them as shown below.
Create a MultiFeedSep2 unit operation. Create an additional In Port by pressing the Create Port button or by
changing the Inlets value to 2, and delete the default Delta P(0 psi) and InQ (0 Btu/h) values. Connect Streams
S1 and S2 to the In Ports of the MultiFeedSep2 and then specify the Temperature and Pressure of the vapor
stream to be 15 F and 795 psia, respectively. The MultiFeedSep2 will solve and should appear as below.
Multi Feed Sep3

MultiFeedSep3
Main Flow sheet
PFD Stencil
Examples Separators\MultiFeedSep3.vmp
General
MultiFeedSep3 represents a three phase separator which is capable of having multiple feeds as well as a pres-
sure drop and an Energy Duty allowing the outlet temperature and pressure to be specified. The number of
liquid phases is 2.
By clicking the Schematic / Connection Node you can view a schematic diagram and connections of the Separ-
ator.
Inlets
The number of inlet ports used by the MultiFeedSep3. The number of inlet ports can be directly entered, this
number will be appropriately adjusted when the Create Port / Delete Port buttons are pressed. The default num-
ber of streams is 1 and there must always be at least 1 inlet port.
Create Port
The Create Port button adds an In Port to the MultiFeedSep3.
Delete Port
The Delete Port button removes an In Port from the MultiFeedSep3. Please note there must always be at least
1 In Port.
Summary(Tab)
Main Data
By default the Main Data frame will contain the following information that is either specified or calculated by the
Separator Heater.
InQ
The Energy duty either specified directly or calculated based on the energy required in order to meet the spe-
cified outlet temperature. The default setting is 0.
Delta P
The pressure drop between the inlet and outlet of the separator, either specified directly or calculated. The
default setting is 0.
Material
Settings (Tab)
ports.




Entrainment (Tab)
Calculation Type
No Entrainment
Feed Based
Product Based
The basis can be any value from “Mole”, “Mass” and “Actual Volume” and it is used to define the basis of the
The Specification Type can be either Percent or Flow and it is used to define the type of specification requested
from the user.
Liq”.
The following figure uses a specification type of flow in mass basis. In this case, “Vap in Light Liq” defines the
0.0.
MultiFeedSep3 Example
The following example will demonstrate the use of a MultiFeedSep3. Two material streams will be fed to a
MultiFeedsSep3 and will then be separated into two liquids and a vapor at a desired outlet temperature and
pressure.
Start a new VMGSim Case and add an APR for Natural Gas property package with methane, ethane and n-
octane and water as the components. Switch the unit set to Field. Add two material streams and define them as
shown below.
Create a MultiFeedSep3. Press the Create Port button to add an additional In Port or change the value of inlets
to 2. Delete the default energy and pressure drop values and then connect S1 and S2 to the In Ports. Specify
the temperature and pressure of the Vapor port to be 100 F and 47.5 psia. The MultiFeedSep3 will have
enough information to solve and should appear as below.
Separator Sizing
Separator Sizing with VMGSim
Examples Separators\SeparatorSizing.vmp
VMGSim has separator sizing capabilities that provide an estimate of the size of separators within VMGSim. A
vessel manufacturer should be consulted for a detailed analysis.
Calculation Methodology
The separator sizing capabilities in VMGSim support both two and three phase vessels. The design equations
used are based on the work of Svrcek and Monnery published in Chemical Engineering Progress in October
1993 and September 1994. The sizing routine will size a vessel such that the L/D ratio is with a specified range
by adjusting either the length or diameter of the vessel, this could result in the over design of the vessel.
Creating a Separator Sizing Case
The separator sizing feature is accessed by clicking the “Sizing…” button in the bottom of the form for any of the
separators available in VMGSim.
Once the Sizing button is clicked, the sizing form will appear. All of the separator sizing capabilities are man-
aged in this form.
Managing Sizing Cases

A default sizing case is created for the separator when the form is opened for the first time. Sizing cases for the
separator are managed from the Vessel Sizing Case frame.
The drop-down is used to select the sizing case that you are working on.
Use the Add/Remove/Rename buttons to create/delete/rename separator designs.
Auto-Run
Set this option to resolve the sizing case every time a variable in the form is modified. This option must be set in
order to perform case studies on vessel sizing results.
If the option is not set, you must click the Run button at the bottom of the form to resolve the sizing case.
Separator Design Type

The separator type is defined in this frame. Additional options become visible based on the selected para-
meters.
Note that the default phase and orientation will be determined based on the type of separator that is being
sized.
Number of Phases
The number of phases to be separated. The options are Two (1 liquid phase) or Three (2 liquid phases).
Liq-Liq Sep Type

The liquid-liquid separation type, visible when Number of Phases is set to Three. It is used to determine the
value of ks, Stokes' law terminal velocity constant. This value affects the rate at which the two liquid phases sep-
arate.
Orientation
Vessel orientation. The options are Vertical or Horizontal.
The type of separator selected will depend on the relative flow rates of phases through the separator.
For two phase separation, a vertical separator is preferred when the ratio of the vapor and liquid mass flows is
high, and a horizontal separator is preferred when the ratio of the vapor and liquid mass flows is low (Svrcek
and Monnery, 1993).
The selection of a three phase separator type is more complex. The following guidelines are presented in
Svrcek and Monnery (1994). A vertical separator is used if the combined amount of liquid is small (10-20% by
weight).
Options
Additional options available to Three-phase Horizontal separators. These options are None (for a basic 3-
phase horizontal separator), With Boot, With Weir, or With Weir and Bucket.
A boot is typically selected when the volume of heavy liquid is small (<15-20% of the total liquid weight). A weir
is typically selected when the volume of heavy liquid is substantial. The bucket and weir type is selected when
the interface between the liquid phases may be difficult to control (Svrcek and Monnery, 1994).
Service Type
The vessel service type is used to determine the residence time of the heavy liquid in a Three-phase Horizontal
separator With Bucket and Weir. Heavy liquid residence time is 60 min for refinery service and 10-15 min for
other service types. An option to manually specify the heavy liquid residence time is available by selecting the
NA option.
Schematic
The vessel schematic is a static image of the type of vessel currently selected and provides a schematic rep-
resentation of the dimensions calculated by the sizing routine.
Design Settings
This frame holds the design parameters that will be used to calculate separator sizing.
Holdup Time
Time taken for the liquid at normal liquid level (NLL) to reach the low liquid level (LLL) while maintaining normal
outlet flows when the feed inlet is cutoff. It is based on the reserve required to maintain good control and oper-
ation of downstream facilities. Recommended holdup times can found in Table 6 of Svrcek and Monnery
(1994).
Surge Time
Time taken for the liquid at normal liquid level (NLL) to reach the high liquid level (HLL) while maintaining nor-
mal feed inlet flow when the liquid outlets are cutoff. It is based on requirements to accumulate liquid as a result
of upstream or downstream variations or upsets. Recommended surge times can be found in Table 6 of Svrcek
and Monnery (1994).
Surge time can be assumed as one half of holdup time if no specific requirements are available.
Liq Residence Time

The (light) liquid residence time used in calculating the length to liq weir for 3-phase horizontal separators with a
weir and bucket.
Heavy Liq Residence Time

The heavy liquid residence time used to calculating the length to liq weir for 3-phase horizontal separators with
a weir and bucket.
Can be manually specified by selecting the NA option from the Service Type dropdown.
Note that residence times can only be specified for 3-phase horizontal separators with the weir and bucket con-
figuration.
Min Design L/D

The minimum value of the L/D ratio that the separator sizing routine will allow. Vessels that operate at higher
pressures should have larger L/D ratios. The L/D ratio should never be less than 1.5.
Max Design L/D

The maximum value of the L/D ratio that the separator sizing routine will allow. Vessels that operate at higher
pressures should have larger L/D ratios. The L/D ratio should never be greater than 6.
With Mist Eliminator

Set to add a mist eliminator in the sizing calculations. Clear to remove the mist eliminator.
Mist Eliminator Height

The height / thickness of the mist eliminator. This will only be visible if With Mist Eliminator is set.
Mist Eliminator Support

The required space in the vessel diameter to accommodate a mist eliminator support ring. This will only be vis-
ible if With Mist Eliminator is set.
Process Input
This frame contains phase information for the fluid that enters the separator.
User-Specified Process
Check this option to manually input process data for each phase. Note that it must be checked in order to con-
duct case studies on sizing results when process stream conditions are the independent variables. By default
this option is not checked, and the phase properties used will be the current values of the separator.
P
The operating pressure of the vessel.
Mass Flow
The mass flow rate of the phase.
Density
The density of the phase.
Viscosity
The viscosity of the phase.
Design Results
This frame contains values that will be calculated by the separator sizing routine.
Note that some of these variables may not appear, depending on the type of separator selected.
Vessel Length
The calculated length of the vessel.
Vessel Diameter
The calculated diameter of the vessel.
L/D ratio
The length/diameter ratio. This value will always be in-between the specified minimum and maximum L/D
ratios.
Vap Disengagement Height

The vapor disengagement height. Used to calculate the minimum vessel length for vapor-liquid separation.
High Liq Level

The high liquid level height. Generally used as an input for liquid-level controls.
Normal Liq Level

The normal liquid level height. Generally used as an input for liquid-level controls. Dependent on the holdup
time.
Low Liq Level

The low liquid level height. Generally used as input for liquid-level controls. Calculated using guidelines presen-
ted in Table 3 of Svrcek and Monnery (1993) and Table 9 of Svrcek and Monnery (1994).
Boot Diameter
The calculated diameter of the (heavy liquid) boot.
Boot Height
The calculated height of the (heavy liquid) boot. Depends on the height of the light and heavy liquid in the boot.
Weir Height
The calculated weir height for three phase horizontal separators with weir configuration. Minimum calculated
height is 2 feet.
Liq Weir Height

The calculated (light) liquid weir height for three phase horizontal separators with weir and bucket con-
figuration.
H Liq Weir Height

The calculated heavy liquid weir height for three phase horizontal separators with weir and bucket con-
figuration.
Length To Weir
The calculated length to the weir, L1 (distance from one end of the vessel), for three phase horizontal sep-
arators with weir configuration. It is the minimum length required to facilitate liquid-liquid separation.
Length To Liq Weir

The length to the (light) liquid weir, L1 (distance from one end of the vessel), for three phase horizontal sep-
arators with weir and bucket configuration.
Length Between Weirs

The length between the liquid and heavy liquid weir, L3, for three phase horizontal separators with weir and
bucket configuration.
Liq Bucket Length

The length of the liquid bucket, L2, for three phase horizontal separators with weir and bucket configuration.
H Liq Bucket Length

The length of the heavy liquid bucket, L4, for three phase horizontal separators with weir and bucket con-
figuration.
Vessel Weight
The calculated weight of the vessel assuming a carbon-steel construction with a density of 490 lb/ft^3. The feed
pressure and vessel dimensions (diameter and length) affect this quantity.
Vessel Wall Thickness

The calculated wall thickness of the vessel. The feed pressure and vessel dimensions (diameter and length)
affect this quantity.
Bibliography
Svrcek, W.Y. and Monnery, W.D., Design Two-Phase Separators Within the Right Limits, Chemical Engin-
eering Progress, pg 53-60 October, 1993.
Svrcek, W.Y. and Monnery, W.D., Successfully Specify Three-Phase Separators, Chemical Engineering Pro-
gress, pg 29-40 September, 1994.
Separator Sizing Example

The following example illustrates how the separator sizing feature in VMGSim can be used to estimate the size
of a three phase separator.
Start a new VMGSim project using the Advanced Peng Robinson property package and add the following com-
pounds: Methane, Ethane, Propane, i-Butane, n-Butane n-Octane and Water. Switch the unit set to Field.
Create a stream and specify it as shown below.
Create a SeparatorLLV unit op and connect S1 to its inlet.
Click the “Sizing…” button. The following form will appear.
A sizing case is automatically created and, by default, a horizontal three phase separator is sized.
Modify the separator design type or design settings to view alternatives.
Tank Emissions
Tank Emissions
The Tank Emissions feature in VMGSim can be used to estimate material losses from liquid storage tanks dur-
ing storage, filling, and emptying operations.
The tank emissions feature is accessed by clicking the “Tank Emissions…” button in the bottom of the form of
any single-feed separator in VMGSim.
Refer to the Emissions with VMGSim section of the manual for details on this feature.
Separator Dynamics
Separators in Dynamics
Main Flow sheet
PFD Stencil
General
Separators model pressure vessels in dynamics. The vessels may be use to separate phases, or merely as buf-
fer volumes.
There are four flavors of separators:
l Separator
l SeparatorLLV
l MultiFeedSep2
l MultiFeedSep3
In addition to allowing multiple feeds, the MultiFeedSep allows the user to specify Duty or Outlet T and DeltaP.
Summary (Tab)
Main Data
InQ
The external duty applied to the separator (shown only for separators with multiple feeds).
Outlet T
Specifies the holdup temperature for the separator, which implies that the outlets will have the same tem-
perature unless there is pressure change because of kinetic energy.
Delta P
A pressure drop that will be applied to all feed streams (if specified). This item is shown only for separators with
multiple feeds.
Percent Level
The level percent of the body height of the light liquid.
Level
Boot/Heavy % Level
The level percent of the boot height of the heavy liquid (main body if no boot specified).
Boot/Heavy Level
The level of the heavy liquid.
Heat Loss Calc Type

Entrainment Mode
The type of entrainment calculation required. In dynamics, entrainment must be product based. Selecting an
entrainment option makes the Entrainment tab visible, where data can then be entered.
Separator Configuration
For modeling purposes, a separator is assumed to be horizontal or vertical cylinder, with an optional vertical cyl-
inder for the boot. If only the volume is specified, a default L/D of 2.0 will be assumed. For the boot, a default L/D
of 1.0 will be assumed.
Also, the separator head design is selected and the head geometry is specified respectively.
Orientation
The separator orientation – vertical or horizontal.
Slug Catcher
Enables selection of Slug Catcher
Sep. Internals
Enables the modeling of separator internals, such as weirs and buckets.
Head Design
Ellipsoidal
None
Custom
Flat
Dished
DIN ToriSpherical
Din SemiEllipsoidal
ASME F&D
Head Axis Ratio

This is used to model elliptical heads on a separator. The value is the ratio of the minor to the major axis for the
diameter beyond the tangent line.
If the separator has a boot, the Head Axis Ratio applies to the bottom of the boot also, and is based on the Boot
Diameter.
Reported levels are impacted by this option. For a boot, the level is reported as a fraction of the distance from
the bottom of the elliptical head to the top of the boot. For a vertical separator, level is reported based on the
Total Length of the separator.
Length
The separator length.
Diameter
The separator diameter.
Volume
The total separator volume (including boot volume).
L/D Ratio
The length to diameter ratio of the separator.
Thickness
Boot Length
The height of the boot.
Boot Diameter
The diameter of the boot.
Boot Volume
The boot volume.
Level Control
Internal Level Ctl

Boot Intern Lev Ctl

Enables boot internal level control using the heavy liquid product flowrate.
Upper Level Tap

Lower Level Taps

Upper Boot Level Taps

The location of the boot level taps on the separator.
Lower Boot Level Taps

The location of the boot level taps on the separator.
Material Summary
Advanced (Tab)
Geometry
Inclination
The separator angle of inclination – 0° - 90° : Inlet is higher, 90° - 180° : Outlet is higher (¹See below for more
details).
Crown Radius
Knuckle Radius
Spherical Limit
Knuckle Height
Crown Height
Liquid Carryover
Terminal Vapor Velocity

An estimate of the terminal vapor velocity.
Vapor Velocity
The current vapor velocity in the separator.
¹More details for Separators Inclination
Internals (Tab)
Configuration and results for modeling separator internals. Visible if Sep. Internals is checked in the Separator
Configuration section on the Summary tab.
Horizontal Configurations
Bucket
Note that the boot, if one is defined, is located in the heavy liquid compartment.
Geometry
Weir Len The distance from the left side of the separator to the weir
Weir Height The height of the weir.
Bucket and Weir
Geometry
Weir Len. The length of the heavy liquid bucket.

Weir Height The height of the weir separating the left compartment from the heavy liquid bucket.
Bucket Len. The distance from the bottom of the bucket to the bottom of the separator.
Bucket Loc. The distance from the left side of the separator to the front edge of the light liquid bucket
Bucket Depth The depth of the light liquid bucket as measured from the front weir.
Bucket Dep. Back The depth of the light liquid bucket as measured from the back weir.
Vertical Configurations
Bucket
Geometry
Bucket Len The length of the light liquid bucket.

Bucket Height The distance from the bottom of the bucket to the bottom of the separator
Bucket Depth The depth of the bucket
Weir
Geometry
Weir Len. The distance from the left side of the separator to the weir.
Weir Height The height of the weir.
Compartment Results
Each compartment for the selected configuration will have a frame to report results.
Lev 1
Lev 2
The level of the heavy liquid
Percent Lev 1
The percent level of the light liquid
Percent Lev 2
The percent level of the light liquid
Liq 1
The molar inventory of the light liquid
Liq 2
The molar inventory of the heavy liquid
Heat Loss (Tab)

Heat Loss Calc Type
Simple Heat Loss

This models calculates heat loss using an overall Q = UA * delta T model.
Duty
Calculated duty.
UA
U
Area
Process T
Outside Data
Ambient Temperature
Outside T
Use this to specify the temperature if Specify option is selected.
Outside T
Detailed Heat Loss

Duty
Calculated duty.
Process T
Outside Temp Source
Ambient Temperature
Outside T
Use this to specify the temperature if Specify option is selected.
Layer Count
The number of layers of material in the equipment wall.
Heat Transfer Coeff

In this frame the Heat Transfer Coefficients are specified.
Inner HT Corr
basis. Otherwise an overall coefficient will be calculated using bulk properties.
Inner HTC
The heat transfer coefficient between the process fluid and the inner wall.
Inner HTC Scale

Outer HTC
The heat transfer coefficient between the outer wall and the surroundings.
Information related to the radiant heat transfer inside and outside the separator is defined within this frame.

Checking this option includes radiant heat transfer on the inside of the separator. The radiant heat transfer is



Checking this option includes radiant heat transfer on the outside of the separator.
Radiant HT Method
The method used to calculate the radiant heat transfer on the outside of the separator.
Grey Body
(Kern, 1950).
ISO Fire Heat




Layer Name
A name for each wall layer. VMGSim provides default names.
Density
Heat Capacity
Thickness
The wall thickness for each layer.
Walls Detailed
Area
The area for heat transfer at each boundary between layers. If you have two layers, these would be the bound-
aries between process/layer-1, layer1/layer-2 and layer2/outside.
geometry.
Duty
The heat flux across each layer boundary (correspond to the boundaries where areas are specified).
Temperature
The temperature at each layer boundary. For a two layer case, these boundaries would be located at layer-1
inner, layer-1/layer-2, and layer-2 outer.
PhaseZone Loss
heat loss for each zone, and also reports the overall heat loss.
Radiant Heat Transfer can be selected for PhaseZone Loss. In this case, the user must provide emissivities for
each phase zone.

Depressuring (Tab)
The Depressuring tab on the separator allows the selection of void fraction calculator: [Simple, Bubbly, Churn,
TopBias].
where α is the average void fraction and C0 is a tuning constant.

may be incorrect.
Input Data
Void Frac Calc Type

Select one of [Simple, Bubbly, Churn, TopBias]. Simple is the default, and implies no liquid expansion.
Void Fraction
This is the calculate bulk void fraction.

This is the calculated surface void fraction.
Tuning Param
This is the C0 parameter in the formulas.
Frac Non Boiling

Reported Levels
Reference
Heat Loss Model, and specify the outside temperature to be the estimated flame temperature.
Calculator Active
Check this to enable the calculations.
Duty
The total calculated heat flux from the fire to the vessel.
Formula
Area Power
Generic
Radiant Heat Input

Q = Const 2
anced against all the other heat loss contributions to determine net heat loss/gain.
Area Type
Total
The entire vessel surface area is used in the formula.
Wetted Nominal
this fraction.
Wetted Actual
fraction.
Area
The total area of the vessel.
Wetted Area
The area of the vessel which is in contact with liquid on the process side.
Const 1 – Const 2
The correlating parameters for the heat calculation formula.
Entrainment(Tab)
Calculation Type
No Entrainment
Feed Based
Feed based is not available in dynamics.
Product Based
Basis can have any value from “Mole”, “Mass” and “Actual Volume” and it is used to define the basis of the
Specification Type must be Percent in dynamics.
Liq”.
Nozzles (Tab)
e.g. a separator
When static head calculations are enabled. Nozzle elevation will impact the static head contributions.
Unit Op Elevation
Fitting K
from
For pipes, go to the Detail Tab, and either specify K there, or select the fitting type.
Diameter
Elevation
Specify one of:
Elevation
The nozzle elevation relative to the equipment baseline.
Elev. Rel Ground

Elev Percent
but can be used only for equipment such as separators that have a vertical dimension.
Efficiency

form (Settings | Do Static Head Calcs).

Head Calcs).

culated/reported if enabled on flowsheet form (Settings | Do Static Head Calcs).

form (Settings | Do Kinetic Head Calcs).
Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
The holdup reference pressure at which VLE calculations are performed.
MoleFraction
Duty
operation.
Elevation
The reference elevation for the holdup.
Total Mol Inv

The total number of mols present in the holdup.
Phase Mol Inv

The number of mols of each phase present in the holdup.
Total Mass Inv

The total mass present in the holdup.
Phase Mass Inv

The mass of each phase present in the holdup.
Efficiency Type
tillation column.
In dynamics, efficiencies can be specified for all unit operations which processes material. The holdup tab
allows entry of nozzle efficiencies and holdup efficiencies. Nozzle efficiencies model the degree of equilibrium
reached between material entering the holdup and the material already in the holdup. Holdup efficiencies
model the movement towards equilibrium of the material already in the holdup. Efficiencies are specified on a
per-phase basis, since the degree of contact and rate of mass transfer may be different for each phase.
Holdup Efficiencies
Efficiency Type
l Equilibrium – All phase efficiencies are 100%.
l None – All phase efficiencies are 0%.
l Time – The first order time constant for each phase for reaching equilibrium.
l Efficiency – All phase efficiencies are the user specified value.
l Mass Transfer-- A rigorous mass transfer model is used to model the departure from equilibrium.
If you want to model an approach to equilibrium over time, the recommended Efficiency Type is Mass Transfer,
as this uses a rigorous Maxwell-Stephan model for the mass transfer rates. Note that this model does not take
into account any separator internals to aid the approach to equilibrium.
To achieve better customization of the approach to equilibrium, select Time or Efficiency. Time is the recom-
mended option, as it is stepsize independent. This specifies a first order time constant – i.e. the time that it takes
to proceed 68% of the distance towards equilibrium. If you select Efficiency, be aware that the time to reach
equilibrium will be impacted by the integrator stepsize, because the holdup contents will move a fixed per-
centage towards equilibrium every time a flash calculation is performed.
Nozzle Efficiencies
Efficiency Type
l Equilibrium – All phase efficiencies are 100%.
l None – All phase efficiencies are 0%.
l Efficiency – Phase efficiencies are the user specified values.
Level

Notes (Tab)
Set
Set
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Logical\Set.vmp
General
Sets are used to set a value based on a signal from any port. The set unit operation works based on the fol-
lowing equation.
Where:
Y is the value being set.
X is the value being measured.
The Multiplier is a dimensionless value that the measured value (X) is multiplied by, therefore the set works only
with signals that have the same units. Note that multipliers can be used ONLY with absolute units such as pres-
sure and molar flow rate
The Offset is a constant added or subtracted, and has the same units as Signal0.
Reset Type
Allows the property type of the parameter in the Set operation to be changed in the case that all the connected
objects are disconnected or if the user wishes to change the property type
Set Example
Start a new VMGSim Case and add an Advanced_Peng-Robinson property package, with water as the com-
ponent. Switch the unit set to SI. Create a valve and specify the input port and the pressure drop signal port as
shown below.
Now create two material streams named Upstream_Pressure and Downstream_Pressure and define them as
shown below:
Upstream_Pressure Downstream_Pressure
Temperature (°C) 30 30
Pressure (kPa) 105
Mole Flow (kgmole/h) 100 100
Water Mole Fraction 1 1
Now add two pressure ports to the material streams just created. Select the material stream named Upstream_
Pressure and click on the Create Port button.
Select SignalPort.
After you select the port type you will be prompted to name and identify the property that the port will be expos-
ing. We will name this port P and we will select P (pressure) as the value being exported as shown below.
The Upstream_Pressure material stream form should now appear as below.
Repeat this process for the Downstream_Pressure material stream.

Now create a Set unit operation.
Connect the P signal port of the Upstream_Pressure material stream to Y by doing clicking on the Connected
Object Cell under Y and selecting Upstream_Pressure.P.
Now connect the P signal port of Downstream_Pressure material stream to X Connected Object cell. Uncheck
the Constant offset/multiplier check box, set the multiplier to 1 and connect the V1.DeltaP object to the Offset
cell. The Set Form should appear as below.
Notice that the Set unit operation is capable of backward calculations and that it propagated a pressure to
Downstream_Pressure material stream.
Signal Stream
Signal Stream
Main Flow sheet
PFD Stencil
Examples Streams\SignalStream.vmp
General
A Signal Stream provides a path for a signal to be transferred between unit operations. It allows a means for
data to be propagated from its In material port to its Out material port without being altered.
Signal Type
The type of variable that will be sent through the signal port can be selected. Once a signal type is selected, any
other type of signal other than that type can not be connected. If the stream is connected to a signal port, the
variable of that port is automatically set as the signal type.
Summary Tab
Shows the inlet and outlet port of the Signal Stream.
Connection
These cells show where the signal stream is connected to and allows the connection to be specified by the user.
Value
The value in the In and Out and ports of the Signal Stream.

This creates an additional signal port. This new port will be an Out port, allowing one In signal to be sent to mul-
tiple signal ports.

Delete a previously created port from the signal stream. There must be a created port to have any options avail-
able with this button.
Signal Stream Example

In this example we will change the EnergyStreams.vmp example to use a signal stream. In that example, the
same pressure drop is used in four different locations. Using a signal stream, the pressure can be specified in
only one of the signal ports and it will be altered all four.
To start, open EnergyStreams.vmp in the Manual Examples folder.

Now create a Signal stream. Since there are four signal ports that will be used, the signal stream will need to
have four signal ports. By default, the signal stream has two ports, so two more must be created.
The pressure drop will be specified in the cooler’s signal port and sent to the heater and the heat exchanger.
Since the variable sent will be a pressure drop, select DP as the signal type.
Since the pressure drop signal ports are already created and specified, the already specified variables must be
removed to prevent a consistency error. By doing this, the case will no longer be solved.
Now connect each signal port to the signal stream using the ‘Connection’ cell.
Now connect H1.DeltaP, Hx1.DeltaPShell and Hx1.DeltaPTube to the three other signal ports.
The pressure drop can now be specified either in any of the signal ports, either in the signal stream or the unit
operations themselves. For example, specify the pressure drop across the heater to be 5psi.
This will send the pressure drop in the heater to the signal stream, and thus to the other pressure drop signal
ports connected to the signal stream. Looking at the other unit operations, it can be seen that the case is solved
and that the same results are obtained as without the signal stream.
Now, if the pressure drop was desired to be changed to 10psi in each signal port, the heater pressure drop can
be removed and the pressure drop can be specified in the signal stream.
The pressure drop can be specified in any of the four signal ports. Each port will provide the same results.
Opening the heat exchanger, it can be seen that the pressure drop is now 10psi in both the tube and the shell.
This example can be found in the Manual Examples folder as SignalStreams.vmp
Solids
Cyclone
Cyclone
Main Flowsheet
PFD Stencil
Example Separators\Cyclone.vmp
General
The cyclone unit operation is a gas-solid cyclone separating entrained particles from the gas inlet feed.
Summary (Tab)
Energy Ports
Ambient Heat Loss
Energy lost by the cyclone to the surroundings
Design Data
Inlet Height
Height of the inlet where the combined gas and dust will enter.
Inlet Width
Width of the inlet where the combined gas and dust will enter.
Dust Outlet Diameter

Diameter of the cyclone outlet where the dust will exit.
Gas Outlet Length

Length of the gas outlet from the cyclone.
Gas Outlet Diameter

Diameter of the cyclone outlet where the gas will exit.
Cyclone Diameter
The diameter of the entire cyclone.
Cylindrical Height
The height of the cylindrical portion of the cyclone.
Cyclone Height
The height of the entire cyclone.
Number of Points
The number of points which will be included in the particle distribution.
Pressure Drop Method

The method used to calculate the pressure drop across the cyclone. Currently the pressure drop can be cal-
culated using the Shepherd-Lapple method (which is the default) or it can be user specified.
Delta P
Pressure drop across the cyclone.
Particle Distribution
The particle distribution of the dust entering the cyclone must be known. The amount of points is the distribution
is specified using the "Number of Points" variable. The Feed Particle Distribution must be specified in. Once the
cyclone is solved, the Gas Particle Distribution and Solid Particle Distribution will be calculated.
Particle Size
The size of the particle in the distribution.
Particle Size Distribution

Cumulative percentage of the current particle size.
Settings (Tab)
Pressure Config Factor
Adjustable configuration factor that will adjust the effects of pressure on the cyclone efficiency calculations.
Efficiency Config Factor

Adjustable configuration factor that adjusts the calculated efficiency of the cyclone.
Reference
A.K. Coker, Understand Cyclone Design, Chemical Engineering Progress, Dec 1993, p. 51-55
Cyclone Example
In this example, it will be shown how to model a cyclone to remove carbon particulate from air. To do this, we
will use the Advanced Peng-Robinson property package and add nitrogen, oxygen and carbon as the com-
ponents. To add a cyclone, make sure to select the "Solids" Visio palette.
We will drag the cyclone out to the flowsheet and attach three streams, named Feed, Gas and Dust, as seen
below.
The feed stream will enter at 77F and 20psia. On a molar basis, it will be 70% nitrogen, 20% oxygen and 5% car-
bon.
The particle distribution will then be specified as below.
Note that the particle size distribution is cumulative, which is why the last amount is 100.000%. However, if for
some reason the data obtained for particle distribution does not add up to 100%, the outlet distribution data will
be scaled such that each data set adds up to the same cumulative total.
Once this is specified, using the default cyclone dimensions, the cyclone now has enough information to solve.
Notice how there are now both a gas and solid particle distribution calculated.
These particle distributions can now be connected using the right click "Copy Connection" to a feed distribution
for a subsequent solid unit operation. This will allow for data to be transferred between solid unit operations.
From here changes can be made to the cyclone dimensions to see the effects of the dimensions on the amount
of dust removed. In the current dimensions, 1.77mol/h, or 32.18% of the feed carbon, has been removed. We
will now create a case study, adjusting the total cyclone diameter and height and see the effects of this on the
carbon removed.
The results are below.
Dryer
Dryer
Main Flowsheet
PFD Stencil
Example Separators\Dryer.vmp
General
The dryer unit operation is a solid drying unit operation. An input gas stream will dry the solids as it flows current
or counter-current to the solids.
Summary (Tab)
Energy Ports
Ambient Heat Loss
Energy lost by the dryer to the surroundings
Design Data
Diameter
Diameter of the dryer
Length
Length of the dryer
Number of Flights
Amount of flights within the rotary dryer
Flow Direction
Whether the gas flows counter current or parallel to the solids.
Delta P Gas Side

Pressure drop across the gas of the dryer.
Delta P Solid Side

Pressure drop across the solid of the dryer.
Reference
Chemical Engineering Vol 2: Particle Technology & Separation Processes, 4th Ed., J.M. Coulson, J.F. Richard-
son, 1991, pp.707-716
Dryer Example
In this example, it will be shown how to model the removal of water from a solid stream through the use of hot
air in a dryer. The air will be similar to that heated in a gasification system. The first step is to create a property
packing using Advanced Peng-Robinson and add nitrogen, oxygen, waterand carbon as the components. The
dryer unit operation can be selected from the "Solids" Visio palette.
Now place the dryer on the flowsheet, with four streams attached to it: WetSolid and DryAir as inputs, and
DrySolid and WetAir as outputs. The intended setup is as below:
The dryer will be a counter-current rotary dryer, with a diameter of 0.3 m, a length of 10 m and 10 flights. The
pressure drop across each side of the dryer will be 5 kPa, which is also the default. This will lead the dryer setup
to look like this.
WetSolid and DryAir will be specified as below.
With full specified inputs and geometry, there is now enough information for the dryer to solve.
It can be sign that with these flow rates and dryer geometry that 37% of the water in the wet solid has been
removed.
Electrostatic Precipitator
Electrostatic Precipitator
Main Flowsheet
PFD Stencil
Example Separators\ElectrostaticPrecipitator.vmp
General
The electrostatic precipitator unit operation is a gas-solid electrostatic precipitator separating entrained
particles from the gas inlet feed.
Summary (Tab)
Energy Ports
Ambient Heat Loss
Energy lost by the electrostatic precipitator to the surroundings
Design Data
Electrode Area
The area of each electrode.
Charging Field
The quantity of the electric field on the charging plate.
Collecting Field
The quantity of the electric field on the collecting. plate.
Number of Points
The number of points which will be included in the particle distribution.
Delta P
Pressure drop across the electrostatic precipitator.
Migration Velocity Method

The migration velocity can either be calculated or specified.
Particle Distribution
The particle distribution of the dust entering the electrostatic precipitator must be known. The amount of points
is the distribution is specified using the "Number of Points" variable. The Feed Particle Distribution must be spe-
cified in. Once the electrostatic precipitator is solved, the Gas Particle Distribution and Solid Particle Distribution
will be calculated.
Particle Size
The size of the particle in the distribution.
Particle Size Distribution

Cumulative percentage of the current particle size.
Migration Velocity
The velocity that dust particles migrate through the electrostatic precipitator.
Settings (Tab)
Efficiency Config Factor
Adjustable configuration factor that adjusts the calculated efficiency of the electrostatic precipitator.
Reference
Multiphase Flow Handbook, Edited by C.T. Crowe, 2006, 7-24 - 7-35
Electrostatic Precipitator Example

In this example, it will be shown how to model an electrostatic precipitator (ESP) to remove carbon particulate
from air, similar to what was done in the cyclone example. The first step is to create a property packing using
Advanced Peng-Robinson and add nitrogen, oxygen and carbon as the components. The ESP unit operation
can be selected from the "Solids" Visio palette.
The ESP can now be placed on the flowsheet, with three streams attached, Feed, Gas and Dust.
Similarly to the cyclone example, the feed stream will enter at 77F and 20psia. On a molar basis, it will be 70%
nitrogen, 20% oxygen and 5% carbon.
The particle distribution will also match that from the previous example, as below.
Note that the particle size distribution is cumulative, which is why the last amount is 100.000%. However, if for
some reason the data obtained for particle distribution does not add up to 100%, the outlet distribution data will
be scaled such that each data set adds up to the same cumulative total.
Once this is specified, using the default electrode area and electric field values, the ESP now has enough
information to solve.
You can see that both the gas and solid particle distributions are now calculated. Also, the migration velocity for
each particle size has been calculated. If a specific migration velocity is desired for each particle size, this can be
specified as well.
Special Properties
Special Properties
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Information Operations\SpecialProperties.vmp
General
The Special Properties unit operation allows special physical properties of interest for the oil and natural gas
processing industries to be calculated for a given material stream. The values of the In or Out material port will
not be changed by the special property operation, it only uses the available information to calculate the desired
special property(ies) and then propagates the information to the appropriate port.
Summary(Tab)
Main Data
When there is one or more properties selected from the properties tabs, this frame will be visible.
The Main Data Frame will contain all the properties selected in the properties tab.
Material
Shows the In and Out Material port information and any connected objects for the special property operation.
Properties Tabs
This general Properties description applies for the following tabs:
Cold Properties, Refinery, Natural Gas and Physical Properties.
Each tab contains the list of properties that can be calculated by the special property unit operation. Click on the
desired tab and select the property name to add it to the list of properties that are to be calculated. A signal port
containing the desired information will be created. In each tab will appear a frame with the selected properties.
in the summary tab will appear the signal ports frame with all the properties selected.
Make note of any warnings that appear in the status bar. All the properties are calculated based on the In/Out
material port composition.
Cold Properties
Cold Property Description
Bubble Point The temperature at which the first bubble of
vapor is formed at the In/Out material port pres-
sure
Dew Point The temperature at which the first drop of liquid
is formed at the In/Out material port pressure
Water Dew Point The onset temperature at which a Water phase
Hydrocarbon Dew The onset temperature at which a Non-aqueous
Point liquid phase is formed at the In/Out material port
pressure
Vapor Pressure Also known as Bubble Point Pressure and True
Vapor Pressure, this is the pressure where the
first bubble of vapor is formed at the In/Out port
temperature
GHV The Gross Heating Value (molar basis) is
defined as the amount of heat released by a spe-
cified quantity of a substance (initially at 25 C)
once it is combusted and the products have
returned to a temperature of 25 C, which takes
into account the latent heat of vaporization of
water in the combustion products (since the nor-
mal state for the water formed by the reaction is
assumed to be liquid). It is also know as Higher
Heating Value (HHV)
GHVMass The Gross Heating Value (or Higher Heating
Value, HHV) of the substance in the material
port on a mass basis
NHV The Net Heating Value (molar basis) is defined
as the amount of heat released by combusting a
specified quantity of a substance (initially at 25
C) and returning the temperature of the com-
bustion of the products to 25 C, which assumes
that the latent heat of vaporization of water in
the combustion products is not recovered (since
the normal state for the water formed by the
reaction is assumed to be gas). It is also know
as Lower Heating Value (LHV)
NHVmass The Net Heating Value (or Lower Heating
Value, LHV) of the substance in the material
pH Hydrogen potential of the of the substance in the
material port at the given conditions
CO2 VSE Freezing CO2 freezing point (gas-solid equilibrium) of the
substance in the material port at the given con-
ditions
CO2 LSE Freezing CO2 freezing point (liquid-solid equilibrium) of
the substance in the material port at the given

conditions
CO2 Freezing CO2 freezing point of the substance in the mater-
ial port at the given conditions
Lower Wobbe Index This is the Wobbe Index based on the NHV and
specific gravity of the substance in the material
port. The Wobbe Index is used to compare the
combustion energy output of different fuels
Higher Wobbe Index This is the Wobbe Index based on the GHV and
JT Coefficient Joule-Thomson Coefficient of the substance in
the material port at the given conditions
Pseudo Tc The pseudo critical temperature of the sub-
stance in the material port is defined as the sum-
mation of the molar composition of each
component multiplied by the critical temperature
of each component.
Pseudo Pc The pseudo critical pressure of substance in the
material port is defined as the summation of the
molar composition of each component multiplied
by the critical pressure of each component.
Pseudo Vc The pseudo critical volume of the substance in
the material port is defined as the summation of
the molar composition of each component mul-
tiplied by the critical volume of each component.
HVap @ ConstP The latent heat of vaporization at a constant
pressure in molar basis, the pressure is defined
by the In/Out material port pressure value
HVap @ ConstT The latent heat of vaporization at a constant tem-
perature in molar basis, the temperature is
defined at the In/Out material port temperature
value
HVapMass @ ConstP The latent heat of vaporization at a constant
pressure in mass basis, the pressure is defined
HVapMass @ ConstT The latent heat of vaporization at a constant tem-
perature in mass basis, the temperature is
value
CO2 VSE Freezing The difference between the temperature from
App. the material port and the CO2 freezing point
(gas-solid equilibrium) of the substance in the
CO2 LSE Freezing The difference between the temperature from
(liquid-solid equilibrium) of the substance in the
the material port and the CO2 freezing point of

conditions
Refinery Properties
Air Saturated Sample
This box is visible when the Reid Vapor Pressure (RVP)(D323) or Vapor Pressure of LPG (D1267) boxes are
selected. This box instructs these calculations to perform Air Saturation on the mixture of interest for Reid
(D323-99a) and LP-Gas (D1267-12) Vapor Pressures calculations as suggested by ASTM procedures.
Oxygen and Nitrogen must be present in the component list to perform Air Saturation.
VPCR V/L Ratio

This box is visible when the Vapor Pressure of Crude Oil (D6377) box is selected. This box defines the Vapor /
Liquid ratio (X) for the calculation of Vapor Pressure of Crude Oil (D6377-10).

This box is visible when the Wax Appearance Temperature box is selected. This value defines the molar frac-
tion at which the Wax phase appears in the mixture of interest.
Refinery Property Description

Reid Vapor Pressure (RVP) Vapor Pressure of Petroleum
(D323) Products (Reid Method - ASTM
D323-99a). The Reid Vapor
Pressure is the absolute pres-
sure that is necessary to exert in
a Petroleum Product in order to
obtain a Vapor/Liquid ratio of 4
at 37.8 C (100 F). The ASTM
D323-99a method recommends
the use of an Air saturated
sample at 32 F, otherwise res-
ults will be similar to ASTM
6377-10 (VPCR with V/L ratio =
4).
* Following the convention of
ASTM D323-99a, Reid Vapor
Pressure is reported as psi or
kPa
Vapor Pressure of LPG (D1267) Vapor Pressure of Liquefied Pet-
roleum Gases (LP-Gas Method
- ASTM D1267-12). This is the
absolute pressure that is neces-

sary to exert in a Liquefied Pet-
roleum Gas in order to obtain a
Vapor/Liquid ratio of 2 at 37.8 C
(100 F). The ASTM D1267-12
method recommends the use of
an Air saturated sample at 32 F,
otherwise results will be similar
to ASTM 6377-10 (VPCR, with
V/L ratio = 2).
ASTM D1267-12, the LP-Gas
Vapor Pressure is reported as
psi or kPa
Vapor Pressure of Crude Oil Vapor Pressure of Crude Oils
(D6377) (VPCR_X) (Expansion Method
sary to exert in a Crude Oil in
order to obtain a Vapor/Liquid
ratio of X at 37.8 C (100 F),
where X may vary from 0.02 to
4.
ASTM D6377-10, the Vapor
Pressure of Crude Oils is repor-
ted as psi or kPa
RVPE (Pressurized Vessels) Reid Vapor Pressure Equi-
valent (RVPE) for Pressurized
Vessels (ASTM D6377-10).
A value calculated by a cor-
relation based on the estimated
Vapor Pressure of Crude Oils
(D6377-10) with a V/L ratio of 4
at 100 F
RVPE (Non-Pressurized Vessels) Reid Vapor Pressure Equi-
valent (RVPE) for Non-Pres-
surized Vessels (ASTM D6377-
10).
at 100 F
True Vapor Pressure @ Storage T It is defined as the vapor pres-
sure of a liquid hydrocarbon cal-
culated from a correlation based
on the ASTM D6377-10 stand-
ard method and the Envir-

onmental Protection Agency
(EPA) publication AP-42. The
Storage Temperature is defined
by the In/Out material port tem-
perature
Flash Point The Flash Point of a fuel indic-
ates the maximum temperature
that it can be stored without ser-
ious fire hazard. It is calculated
based on the API 2B7.1
method, this estimation method
is a correlation between Flash
Point and the fuel’s distillation
temperature at 10 vol% vapor-
ized (ASTMD86 at 10%). This
correlation should be applied to
fractions with normal boiling
points from 65 to 590 C (150 to
1100 F)
Pour Point The Pour Point represents the
lowest temperature at which an
oil fraction can be stored and
still capable of flowing under
gravity. The API 2B8.1 method
is used to predict this property
based on the viscosity, molecu-
lar weight, and specific gravity
of the oil fraction. This estim-
ation method was developed
with data from pour points of
more than 300 petroleum frac-
tions with molecular weights ran-
ging from 140 to 800 and API
gravities from 1 to 50
Wax Appearance Temperature The Wax Appearance Tem-
(WAT) perature refers to the tem-
perature at which the wax
phase of the substance in the
material port appears with the
given molar fraction specified in
the Wax Phase Frac Criterion
box
Kinematic Viscosity Kinematic Viscosity at bubble
point pressure of the substance
in the material port. The prop-
erty is calculated at 1 atm if the
saturation pressure is less than
1 atm
Viscosity Dynamic Viscosity at bubble

1 atm
Paraffin (wt) Percent Paraffin weight percent of the
substance in the material port
Iso-Paraffin (wt) Percent Iso-Paraffin weight percent of
the substance in the material
port
Olefin (wt) Percent Olefin weight percent of the sub-
stance in the material port
Naphthene (wt) Percent Naphthene weight percent of
port
Aromatic (wt) Percent Aromatic weight percent of the
Bromine Number Bromine Number is the amount
of bromine in grams absorbed
by 100 grams of a sample.
Every unit of Bromine Number
is roughly equivalent to twice
the wt % of olefin content in a
sample. This property is cal-
culated through a VMG internal
correlation based on a fair num-
ber of literature data
Cetane Number The Cetane Index is a relative
measure of the time delay
between the injection of dis-
tillate fuels into a combustion
chamber and the start of com-
bustion. The Cetane Index is
estimated using a correlation
from the ASTM D-976 method,
this estimation method is based
on the API gravity and mid-boil-
ing point of the substances in
the material port. The calculated
Cetane Index formula is par-
ticularly applicable to diesel
fuels, straight run fuels, cata-
lytically cracked stocks, and
blends of the two
Carbon Residue When a petroleum fraction is
vaporized in the absence of air
at atmospheric pressure, the
non-volatile compounds have a
carbonaceous residue known
as Carbon Residue. It is cal-
culated based on a VMG modi-

fication of the correlation pro-
posed by Altgelt which is based
on the hydrogen to carbon ratio
of the substance from the mater-
ial port.
Aniline Point The Aniline Point indicates the
degree of aromaticity of the sub-
stance of the material port. The
Aniline Point calculation is
based on Linden's method, this
correlation is a mathematical
representation of an earlier
graphical method and uses a
blending index that is calculated
from a relation developed by
Chevron Research
ASTM Smoke Point The Smoke Point is a char-
acteristic of aviation turbine
fuels and kerosenes and indic-
ates the tendency of a fuel to
burn with a smoky flame. The
ASTM D 1322 method is used
to calculate the Smoke Point,
this method is based on the Anil-
ine Point and specific gravity
from the substance in the mater-
ial port
Research Octane Number The Research Octane Number
ial port. It represents antiknock
characteristic of a fuel under city
conditions. It is calculated from
a VMG internal correlation
based on the values of more
than 180 blends
Motor Octane Number The Motor Octane Number of
the substance from the material
port. It represents antiknock
characteristic of a fuel under
road conditions. t is calculated
from a VMG internal correlation
than 180 blends
Liq. Refractive Index Liquid Refractive Index of the
substance from the material
port . It is calculated based on
API Procedure 2B5.1 method
GOR Gas oil ratio defined as the
volume of gas divided by the
volume of liquid that the sub-

stance from the material port
would have if it was changed to
the standard conditions of 60 F
and 1 atm
Air / Fuel Ratio Stoichiometric Air / Fuel ratio
(SAFR) of the substance from
the material port . It is defined as
the ratio of air to fuel (by mass)
such that there is just enough
oxygen to burn all the gas fuel.
Its calculation is based on a bal-
ance of the individual gas com-
ponents that participate in a
combustion reaction
Methane Number Calculated Methane Number of
port. It is a measure of the
gaseous fuels propensity to
cause knock in an engine. Its cal-
culation method is based on a
VMG revision to Kubesh
method which is a function of
the molar hydrogen to carbon
ratio
CO2 Combustion Equivalent Mass of CO2 generated per unit
mass of the substance from the
material port when the Carbon
content of the mixture is com-
pletely burned. Its calculation is
based on a balance of the com-
combustion reaction
SO2 Combustion Equivalent Mass of SO2 generated per unit
mass t of the substance from
the material port when the Sul-
fur content of the mixture is com-
combustion reaction
NO2 Combustion Equivalent Mass of NO2 generated p of the
port when the Nitrogen content
of the mixture is completely
burned. Its calculation is based
on a balance of the components
that participate in a combustion
reaction
CO2 Combustion Emission Factor Emission factor (or coefficient)
for the amount of CO2 that is

released when the substance
from the material port is com-
pletely burned. Calculated as
CO2 Combustion Equivalent /
GHV Mass of the mixture of
interest, units defined as mass
CO2 / energy from the com-
bustion of the mixture of interest
SO2 Combustion Emission Factor Emission factor (or coefficient)
for the amount of SO2 that is
SO2 Combustion Equivalent /
SO2 / energy from the com-
NO2 Combustion Emission Factor Emission factor (or coefficient)
for the amount of NO2 that is
NO2 Combustion Equivalent /
NO2 / energy from the com-

NGL Content Definition
This box is visible when the NGL Content Active box is selected. This box sets the definition of the hydrocarbon
liquids for the NGL Content calculation. The Natural Gas Liquids (NGL) Content (also defined as Liquid Con-
tent or GPMaccording to the GPSA Data Book) is property that is based on the definition of the hydrocarbon
liquids (C2+ to C6+).
the volume of gas. This calculation traditionally meant to apply to propane and heavier compounds (C3+ to
C6+) but is often used to include ethane (C2+). The calculation is only made for hydrocarbons based on the
selected liquids definition.
Natural Gas Property Description

Dew Point The temperature at which the first
drop of liquid is formed at the In/Out
material port pressure
Water Dew Point The onset temperature at which a

Water phase is formed at the In/Out
Hydrocarbon Dew Point The onset temperature at which a
Non-aqueous liquid phase is formed
at the In/Out material port pressure
GHV (StdGasVol) The Gross Heating Value (or Higher
Heating Value, HHV) of the sub-
stance in the material port on a stand-
ard gas volume basis
NHV (StdGasVol) The Net Heating Value (or Lower
Heating Value, LHV) of the sub-
Lower Wobbe Index The Wobbe Index based on the NHV
(StdGasVol) and specific gravity of the substance
in the material port on a standard gas
volume basis
Higher Wobbe Index The Wobbe Index based on the GHV
volume basis
Lower Explosive Limit in Air (Vol) This is the lower concentration (in
volume) of the substance in the mater-
ial port for flammability in air, its cal-
culation is based on the Le Chatelier
formula
Higher Explosive Limit in Air This is the higher concentration (in
(Vol) volume) of the substance in the mater-
formula
Water Content Water content of the substance in the
material port
Sulfur (Total) The total amount of sulfur including
all sulfur containing species of the
Mercaptans Content The total Mercaptans content of the
H2S Content H2S content of the substance in the
material port
CO2 Content CO2 content of the substance in the
material port
N2 Content N2 content of the substance in the
material port
H2 Content H2 content of the substance in the
material port
O2 Content O2 content of the substance in the
material port
GPSA-H2S K Value GPSA-H2S K value of the substance

in the material port. Calculated based
on Figure 25-30 from GPSA Data
Book 13th Edition
Gas SG Gas specific gravity of the substance
in the material port, defined as dens-
ity of gas / density of air
NGL Content Liquid Volume of recoverable Hydro-
carbons (C2+/C3+)/Gas Volume
present in the substance from the
material port as in Section 16 of
GPSA Data Book 12th Edition. Also
known as Liquid Content or GPM
True Vapor Pressure @ 100 F True Vapor Pressure (Bubble Point
Pressure) at 100 F of the substance
in the material port
Physical Properties
The following properties are based on the conditions and compositions of the In/Out material port
Physical Property Description

Cv Heat capacity at constant volume of the
Cp/Cv Cp/Cv ratio of the mixture in mole basis of
the substance in the material port
Cp Mass Mass based Heat capacity at constant
pressure of the substance in the material
port
Cv Mass Mass based Heat capacity at constant
volume of the substance in the material
port
H Mass Enthalpy in mass basis of the substance
S Mass Entropy in mass basis of the substance in
the material port
Dynamic Viscosity Dynamic Viscosity of the substance in the
material port. Defined as the internal fric-
tion of a fluid, produced by the movement
of its molecules against each other
Thermal Conductivity Thermal Conductivity of the substance in
the material port. Defined as the heat flow
across a surface per unit area per unit
time, divided by the negative of the rate of
change of temperature with distance in a
direction perpendicular to the surface
Surface Tension Surface Tension of the substance in the
material port. Defined as the force exer-
ted along the surface of a fluid that causes
it to “bead up” and form into drops

Speed of Sound Speed of Sound of the substance in the
material port. Defined as the speed at
which sound travels in a given medium
under specified conditions
Z from Density Z factor calculated from Density of the sub-
Exergy Exergy of the substance in the material
port. Defined as the measure of the actual
potential of a system to do work
Std Liq. Molar Volume Standard Liquid Molar Volume of the sub-
Std Liq. Mass Density Standard Liquid Mass Density of the sub-
Internal Energy The total kinetic and potential energy of
the substance in the material port asso-
ciated with the motions and relative pos-
itions of the molecules of an object,
excluding the kinetic or potential energy of
the object as a whole
Gibbs Free Energy Thermodynamic potential of the sub-
stance in the material port which meas-
ures the "useful" work obtainable from an
isothermal, isobaric thermodynamic sys-
tem
Helmholtz Energy Thermodynamic potential of the sub-
ures the “useful” work obtainable from a
closed thermodynamic system at a con-
stant temperature
Isothermal Compressibility Compressibility at Constant Temperature
of the substance in the material port
dP/dV @ ConstT dP/dV at constant temperature of the sub-
Mechanical Z Factor Mechanical Z Factor of the substance in
the material port
Ideal Gas Enthalpy Ideal Gas Enthalpy of the substance in the
material port
Ideal Gas Entropy Ideal Gas Entropy of the substance in the
material port
Ideal Gas Cp Ideal Gas Cp of the substance in the
material port
Ideal Gas Enthalpy of Form- Ideal Gas Enthalpy of Formation of the
ation substance in the material port
Ideal Gas Gibbs Free Idea Gas Gibbs Free Energy of Formation
Energy of Formation of the substance in the material port
Residual Enthalpy Residual Enthalpy of the substance in the
material port
Residual Entropy Residual Entropy of the substance in the
material port
Residual Cp Residual Cp (Cp - Ideal Gas Cp) of the
Residual Cv Residual Cv (Cv - Ideal Gas Cv) of the
Equilibrium Results Tab

Shows equilibrium results for the port selected in the pull down menu
Notes Tab
Special Properties Example

In the following example the special property unit operation will be used to calculate several Cold, Refinery and
Natural Gas properties. Start a new VMGSim case and add an Advanced_Peng-Robinson property package
with the following components: C1, C2, C3, i-C4, n-C4, i-C5, n-C5, n-C6 and n-C7. Switch the unit set to Field.
Create two Special Properties unit operations and specify their In ports as shown below.
Prop1 Prop2
Temperature (F) 70 60
Pressure (psia) 100 14.7
Mole Flow (lbmole/hr) 100 100
Mole Fraction Methane 0.782 0
Mole Fraction Ethane 0.097 0
Mole Fraction Propane 0.048 0
Mole Fraction i-Butane 0.03 0
Mole Fraction n-Butane 0.009 0
Mole Fraction i-Pentane 0.019 0
Mole Fraction n-Pentane 0.0098 0
Mole Fraction n-Hexane 0.0037 0
Mole Fraction n-Heptane 0.0015 1
Select Prop1 and click on the Cold Properties tab.
Add the Gross Heating Value (GHV) and the Net Heating Value (NHV) properties by clicking on GHV and NHV
in the Cold properties list. The Prop1 form should appear as follows:
Note that the selected properties are now available throughout the flow sheet as signals.
Go to the Natural Gas Tab and add the Liquid Content to the calculated properties list by clicking on the NGL
Content box. The calculated value for GPM based on a liquid definition of C2+ is:
Now change the liquid content definition to C3+ and observe how the GPM is reduced since Ethane (C2) is not
part of the calculation this time:
Open the Prop2 form and switch to the Refinery Properties tab.
Add the Reid Vapor Pressure (D323) and Property by clicking its name in the refinery properties list as shown
below.
To perform a Reid Vapor pressure calculation with an air saturated sample Oxygen and Nitrogen must be
present in the property package. Add Oxygen and Nitrogen to the Component list of the active property pack-
age.
Now, click on the Air Saturation Sample box to get the Reid vapor Pressure of an Air Saturated sample.
Special Properties Dynamics

Special Properties - Dynamics
Main Flow sheet
PFD Stencil
Examples SpecialProperties.vmp
General
The Special Properties unit operation allows special physical properties of interest for the oil and natural gas
processing industries to be calculated for a given material stream. The values of the In or Out material port will
not be changed by the special property operation, it only uses the available information to calculate the desired
special property(ies) and then propagates the information to the appropriate port.
Summary(Tab)
Main Data
When there is one or more properties selected from the properties tabs, this frame will be visible.
The Main Data Frame will contain all the properties selected in the properties tabs
Elevation
If not specified, its value comes from the known elevation of the adjacent unit operation. If the user specifies an
elevation, the user supplied value takes precedence.
Configuration
Props Cycle Time

In dynamics, properties are calculated on a cycle which is specified by the Props Cycle Time. To disable prop-
erty calculations, set the time to zero.
Material
Shows the In and Out Material port information and any connected objects for the special property operation.
Properties Tabs
This general Properties description applies for the following tabs:
Cold Properties, Refinery, Natural Gas and Physical Properties.
Each tab contains the list of properties that can be calculated by the special property unit operation. Click on the
desired tab and select the property name to add it to the list of properties that are to be calculated. A signal port
containing the desired information will be created. In each tab will appear a frame with the selected properties.
in the summary tab will appear the signal ports frame with all the properties selected.
Make note of any warnings that appear in the status bar.
Cold Properties
Cold Property Description
Bubble Point The temperature at which the first bubble of
vapor is formed at the In/Out material port pres-
sure
Dew Point The temperature at which the first drop of liquid
Water Dew Point The onset temperature at which a Water phase
Hydrocarbon Dew The onset temperature at which a Non-aqueous
Point liquid phase is formed at the In/Out material port
pressure
Vapor Pressure Also known as Bubble Point Pressure and True
Vapor Pressure, this is the pressure where the
first bubble of vapor is formed at the In/Out port
temperature
GHV The Gross Heating Value (molar basis) is
defined as the amount of heat released by a spe-
cified quantity of a substance (initially at 25 C)
once it is combusted and the products have
returned to a temperature of 25 C, which takes
into account the latent heat of vaporization of
water in the combustion products (since the nor-
mal state for the water formed by the reaction is
assumed to be liquid). It is also know as Higher
Heating Value (HHV)
GHVMass The Gross Heating Value (or Higher Heating
Value, HHV) of the substance in the material
NHV The Net Heating Value (molar basis) is defined
as the amount of heat released by combusting a
specified quantity of a substance (initially at 25
C) and returning the temperature of the com-
bustion of the products to 25 C, which assumes
that the latent heat of vaporization of water in
the combustion products is not recovered (since
the normal state for the water formed by the
reaction is assumed to be gas). It is also know

as Lower Heating Value (LHV)
NHVmass The Net Heating Value (or Lower Heating
Value, LHV) of the substance in the material
pH Hydrogen potential of the of the substance in the
CO2 VSE Freezing CO2 freezing point (gas-solid equilibrium) of the
substance in the material port at the given con-
ditions
CO2 LSE Freezing CO2 freezing point (liquid-solid equilibrium) of
conditions
CO2 Freezing CO2 freezing point of the substance in the mater-
ial port at the given conditions
Lower Wobbe Index This is the Wobbe Index based on the NHV and
Higher Wobbe Index This is the Wobbe Index based on the GHV and
JT Coefficient Joule-Thomson Coefficient of the substance in
the material port at the given conditions
Pseudo Tc The pseudo critical temperature of the sub-
stance in the material port is defined as the sum-
mation of the molar composition of each
component multiplied by the critical temperature
of each component.
Pseudo Pc The pseudo critical pressure of substance in the
material port is defined as the summation of the
molar composition of each component multiplied
by the critical pressure of each component.
Pseudo Vc The pseudo critical volume of the substance in
the material port is defined as the summation of
the molar composition of each component mul-
tiplied by the critical volume of each component.
HVap @ ConstP The latent heat of vaporization at a constant
pressure in molar basis, the pressure is defined
HVap @ ConstT The latent heat of vaporization at a constant tem-
perature in molar basis, the temperature is
value
HVapMass @ ConstP The latent heat of vaporization at a constant
pressure in mass basis, the pressure is defined
HVapMass @ ConstT The latent heat of vaporization at a constant tem-
perature in mass basis, the temperature is

value
CO2 VSE Freezing The difference between the temperature from
(gas-solid equilibrium) of the substance in the
(liquid-solid equilibrium) of the substance in the
the material port and the CO2 freezing point of
conditions
Refinery Properties
Air Saturated Sample
This box is visible when the Reid Vapor Pressure (RVP)(D323) or Vapor Pressure of LPG (D1267) boxes are
selected. This box instructs these calculations to perform Air Saturation on the mixture of interest for Reid
(D323-99a) and LP-Gas (D1267-12) Vapor Pressures calculations as suggested by ASTM procedures.
Oxygen and Nitrogen must be present in the component list to perform Air Saturation.
VPCR V/L Ratio

This box is visible when the Vapor Pressure of Crude Oil (D6377) box is selected. This box defines the Vapor /
Liquid ratio (X) for the calculation of Vapor Pressure of Crude Oil (D6377-10).

This box is visible when the Wax Appearance Temperature box is selected. This value defines the molar frac-
tion at which the Wax phase appears in the mixture of interest.
Refinery Property Description

Reid Vapor Pressure (RVP) Vapor Pressure of Petroleum
(D323) Products (Reid Method - ASTM
D323-99a). The Reid Vapor
Pressure is the absolute pres-
sure that is necessary to exert in
a Petroleum Product in order to
obtain a Vapor/Liquid ratio of 4
at 37.8 C (100 F). The ASTM
D323-99a method recommends
the use of an Air saturated
sample at 32 F, otherwise res-
ults will be similar to ASTM

6377-10 (VPCR with V/L ratio =
4).
ASTM D323-99a, Reid Vapor
Pressure is reported as psi or
kPa
Vapor Pressure of LPG (D1267) Vapor Pressure of Liquefied Pet-
roleum Gases (LP-Gas Method
sary to exert in a Liquefied Pet-
roleum Gas in order to obtain a
Vapor/Liquid ratio of 2 at 37.8 C
(100 F). The ASTM D1267-12
method recommends the use of
an Air saturated sample at 32 F,
otherwise results will be similar
to ASTM 6377-10 (VPCR, with
V/L ratio = 2).
ASTM D1267-12, the LP-Gas
Vapor Pressure is reported as
psi or kPa
Vapor Pressure of Crude Oil Vapor Pressure of Crude Oils
(D6377) (VPCR_X) (Expansion Method
sary to exert in a Crude Oil in
order to obtain a Vapor/Liquid
ratio of X at 37.8 C (100 F),
where X may vary from 0.02 to
4.
ASTM D6377-10, the Vapor
Pressure of Crude Oils is repor-
ted as psi or kPa
RVPE (Pressurized Vessels) Reid Vapor Pressure Equi-
valent (RVPE) for Pressurized
Vessels (ASTM D6377-10).
at 100 F
RVPE (Non-Pressurized Vessels) Reid Vapor Pressure Equi-
valent (RVPE) for Non-Pres-
surized Vessels (ASTM D6377-
10).
at 100 F
True Vapor Pressure @ Storage T It is defined as the vapor pres-
sure of a liquid hydrocarbon cal-
culated from a correlation based
on the ASTM D6377-10 stand-
ard method and the Envir-
onmental Protection Agency
(EPA) publication AP-42. The
Storage Temperature is defined
by the In/Out material port tem-
perature
Flash Point The Flash Point of a fuel indic-
ates the maximum temperature
that it can be stored without ser-
ious fire hazard. It is calculated
based on the API 2B7.1
method, this estimation method
is a correlation between Flash
Point and the fuel’s distillation
temperature at 10 vol% vapor-
ized (ASTMD86 at 10%). This
correlation should be applied to
fractions with normal boiling
points from 65 to 590 C (150 to
1100 F)
Pour Point The Pour Point represents the
lowest temperature at which an
oil fraction can be stored and
still capable of flowing under
gravity. The API 2B8.1 method
is used to predict this property
based on the viscosity, molecu-
lar weight, and specific gravity
of the oil fraction. This estim-
ation method was developed
with data from pour points of
more than 300 petroleum frac-
tions with molecular weights ran-
ging from 140 to 800 and API
gravities from 1 to 50
Wax Appearance Temperature The Wax Appearance Tem-
(WAT) perature refers to the tem-
perature at which the wax
phase of the substance in the
material port appears with the
given molar fraction specified in

the Wax Phase Frac Criterion
box
Kinematic Viscosity Kinematic Viscosity at bubble
1 atm
Viscosity Dynamic Viscosity at bubble
1 atm
Paraffin (wt) Percent Paraffin weight percent of the
Iso-Paraffin (wt) Percent Iso-Paraffin weight percent of
port
Olefin (wt) Percent Olefin weight percent of the sub-
Naphthene (wt) Percent Naphthene weight percent of
port
Aromatic (wt) Percent Aromatic weight percent of the
Bromine Number Bromine Number is the amount
of bromine in grams absorbed
by 100 grams of a sample.
Every unit of Bromine Number
is roughly equivalent to twice
the wt % of olefin content in a
sample. This property is cal-
culated through a VMG internal
correlation based on a fair num-
ber of literature data
Cetane Number The Cetane Index is a relative
measure of the time delay
between the injection of dis-
tillate fuels into a combustion
chamber and the start of com-
bustion. The Cetane Index is
estimated using a correlation
from the ASTM D-976 method,
this estimation method is based
on the API gravity and mid-boil-
ing point of the substances in
the material port. The calculated
Cetane Index formula is par-
ticularly applicable to diesel

fuels, straight run fuels, cata-
lytically cracked stocks, and
blends of the two
Carbon Residue When a petroleum fraction is
vaporized in the absence of air
at atmospheric pressure, the
non-volatile compounds have a
carbonaceous residue known
as Carbon Residue. It is cal-
culated based on a VMG modi-
fication of the correlation
proposed by Altgelt which is
based on the hydrogen to car-
bon ratio of the substance from
the material port.
Aniline Point The Aniline Point indicates the
degree of aromaticity of the sub-
stance of the material port. The
Aniline Point calculation is
based on Linden's method, this
correlation is a mathematical
representation of an earlier
graphical method and uses a
blending index that is calculated
from a relation developed by
Chevron Research
ASTM Smoke Point The Smoke Point is a char-
acteristic of aviation turbine
fuels and kerosenes and indic-
ates the tendency of a fuel to
burn with a smoky flame. The
ASTM D 1322 method is used
to calculate the Smoke Point,
this method is based on the Anil-
ine Point and specific gravity
from the substance in the mater-
ial port
Research Octane Number The Research Octane Number
ial port. It represents antiknock
characteristic of a fuel under city
conditions. It is calculated from
a VMG internal correlation
than 180 blends
Motor Octane Number The Motor Octane Number of
port. It represents antiknock
characteristic of a fuel under
road conditions. t is calculated

from a VMG internal correlation
than 180 blends
Liq. Refractive Index Liquid Refractive Index of the
port . It is calculated based on
API Procedure 2B5.1 method
GOR Gas oil ratio defined as the
volume of gas divided by the
volume of liquid that the sub-
stance from the material port
would have if it was changed to
the standard conditions of 60 F
and 1 atm
Air / Fuel Ratio Stoichiometric Air / Fuel ratio
(SAFR) of the substance from
the material port . It is defined as
the ratio of air to fuel (by mass)
such that there is just enough
oxygen to burn all the gas fuel.
Its calculation is based on a bal-
ance of the individual gas com-
combustion reaction
Methane Number Calculated Methane Number of
port. It is a measure of the
gaseous fuels propensity to
cause knock in an engine. Its cal-
culation method is based on a
VMG revision to Kubesh
method which is a function of
the molar hydrogen to carbon
ratio
CO2 Combustion Equivalent Mass of CO2 generated per unit
mass of the substance from the
material port when the Carbon
content of the mixture is com-
combustion reaction
SO2 Combustion Equivalent Mass of SO2 generated per unit
mass t of the substance from
the material port when the Sul-
fur content of the mixture is com-
combustion reaction
NO2 Combustion Equivalent Mass of NO2 generated p of the
port when the Nitrogen content
of the mixture is completely
burned. Its calculation is based
on a balance of the components
that participate in a combustion
reaction
CO2 Combustion Emission Factor Emission factor (or coefficient)
for the amount of CO2 that is
CO2 Combustion Equivalent /
CO2 / energy from the com-
SO2 Combustion Emission Factor Emission factor (or coefficient)
for the amount of SO2 that is
SO2 Combustion Equivalent /
SO2 / energy from the com-
NO2 Combustion Emission Factor Emission factor (or coefficient)
for the amount of NO2 that is
NO2 Combustion Equivalent /
NO2 / energy from the com-

This box is visible when the NGL Content Active box is selected. This box sets the definition of the hydrocarbon
liquids for the NGL Content calculation. The Natural Gas Liquids (NGL) Content (also defined as Liquid Con-
tent or GPMaccording to the GPSA Data Book) is property that is based on the definition of the hydrocarbon
liquids (C2+ to C6+).
the volume of gas. This calculation traditionally meant to apply to propane and heavier compounds (C3+ to
C6+) but is often used to include ethane (C2+). The calculation is only made for hydrocarbons based on the
selected liquids definition.
Natural Gas Property Description

Dew Point The temperature at which the first
drop of liquid is formed at the In/Out
Water Dew Point The onset temperature at which a
Water phase is formed at the In/Out
Hydrocarbon Dew Point The onset temperature at which a
Non-aqueous liquid phase is formed
at the In/Out material port pressure
GHV (StdGasVol) The Gross Heating Value (or Higher
Heating Value, HHV) of the sub-
NHV (StdGasVol) The Net Heating Value (or Lower
Heating Value, LHV) of the sub-
Lower Wobbe Index The Wobbe Index based on the NHV
volume basis
Higher Wobbe Index The Wobbe Index based on the GHV
volume basis
Lower Explosive Limit in Air (Vol) This is the lower concentration (in
volume) of the substance in the mater-
formula
Higher Explosive Limit in Air This is the higher concentration (in
(Vol) volume) of the substance in the mater-
formula
Water Content Water content of the substance in the
material port
Sulfur (Total) The total amount of sulfur including
all sulfur containing species of the
Mercaptans Content The total Mercaptans content of the
H2S Content H2S content of the substance in the

material port
CO2 Content CO2 content of the substance in the
material port
N2 Content N2 content of the substance in the
material port
H2 Content H2 content of the substance in the
material port
O2 Content O2 content of the substance in the
material port
GPSA-H2S K Value GPSA-H2S K value of the substance
in the material port. Calculated based
on Figure 25-30 from GPSA Data
Book 13th Edition
Gas SG Gas specific gravity of the substance
in the material port, defined as dens-
ity of gas / density of air
NGL Content Liquid Volume of recoverable Hydro-
carbons (C2+/C3+)/Gas Volume
present in the substance from the
material port as in Section 16 of
GPSA Data Book 12th Edition. Also
known as Liquid Content or GPM
True Vapor Pressure @ 100 F True Vapor Pressure (Bubble Point
Pressure) at 100 F of the substance
Physical Properties
The following properties are based on the conditions and compositions of the In/Out material port
Physical Property Description

Cv Heat capacity at constant volume of the
Cp/Cv Cp/Cv ratio of the mixture in mole basis of
the substance in the material port
Cp Mass Mass based Heat capacity at constant
pressure of the substance in the material
port
Cv Mass Mass based Heat capacity at constant
volume of the substance in the material
port
H Mass Enthalpy in mass basis of the substance
S Mass Entropy in mass basis of the substance in
the material port
Dynamic Viscosity Dynamic Viscosity of the substance in the
material port. Defined as the internal fric-
tion of a fluid, produced by the movement
of its molecules against each other

Thermal Conductivity Thermal Conductivity of the substance in
the material port. Defined as the heat flow
across a surface per unit area per unit
time, divided by the negative of the rate of
change of temperature with distance in a
direction perpendicular to the surface
Surface Tension Surface Tension of the substance in the
material port. Defined as the force exer-
ted along the surface of a fluid that causes
it to “bead up” and form into drops
Speed of Sound Speed of Sound of the substance in the
material port. Defined as the speed at
which sound travels in a given medium
under specified conditions
Z from Density Z factor calculated from Density of the sub-
Exergy Exergy of the substance in the material
port. Defined as the measure of the actual
potential of a system to do work
Std Liq. Molar Volume Standard Liquid Molar Volume of the sub-
Std Liq. Mass Density Standard Liquid Mass Density of the sub-
Internal Energy The total kinetic and potential energy of
the substance in the material port asso-
ciated with the motions and relative pos-
itions of the molecules of an object,
excluding the kinetic or potential energy of
the object as a whole
Gibbs Free Energy Thermodynamic potential of the sub-
ures the "useful" work obtainable from an
isothermal, isobaric thermodynamic sys-
tem
Helmholtz Energy Thermodynamic potential of the sub-
ures the “useful” work obtainable from a
closed thermodynamic system at a con-
stant temperature
Isothermal Compressibility Compressibility at Constant Temperature
of the substance in the material port
dP/dV @ ConstT dP/dV at constant temperature of the sub-
Mechanical Z Factor Mechanical Z Factor of the substance in
the material port
Ideal Gas Enthalpy Ideal Gas Enthalpy of the substance in the
material port
Ideal Gas Entropy Ideal Gas Entropy of the substance in the
material port
Ideal Gas Cp Ideal Gas Cp of the substance in the

material port
Ideal Gas Enthalpy of Form- Ideal Gas Enthalpy of Formation of the
ation substance in the material port
Ideal Gas Gibbs Free Idea Gas Gibbs Free Energy of Formation
Energy of Formation of the substance in the material port
Residual Enthalpy Residual Enthalpy of the substance in the
material port
Residual Entropy Residual Entropy of the substance in the
material port
Residual Cp Residual Cp (Cp - Ideal Gas Cp) of the
Residual Cv Residual Cv (Cv - Ideal Gas Cv) of the

Shows equilibrium results for the port selected in the pull down menu
Notes Tab
Splitter
Splitters
Main Flow sheet
PFD Stencil
Examples Piping and Flow\Splitter.vmp
General
Splitters (also knows as tees) are used to split the flow of an In material port. When the inlet port is known, the
outlet ports will be assigned the temperature, pressure, intensive enthalpy and composition of the inlet port. The
Splitter can calculate backwards, i.e., calculate the inlet flow rate given the composition, temperature and pres-
sure of one of the outlet ports and the flow rates of all of the outlet ports.
Outlets
Shows the number of Out_Material ports added to the splitter. This parameter can also be used to edit the num-
ber of Out_Material ports added to the splitter.
Sets the number of the outlet Material Ports;
Create Port
Add extra Out_Material port to the Splitter. The default is 2 Out_Material ports.
Delete Port
Delete an Out_Material port from the Splitter. The splitter must have at least 1 Out_Material Port.
Summary(Tab)
Split Fraction
Sets the fraction of the In_Material port that will leave through a particular Out_Material port. Displays one
FlowFraction signal port per Outlet. The summation of all of the flow fractions must equal 1 in order for the
material balance over the separator to satisfied.
Material
Shows all of the Material ports included in the Splitter configuration
Splitter Example
In this example we use the Splitter operation to calculate the outflow of a material port. Create a new VMGSim
project, select Advanced_Peng-Robinson and add water to the system. Switch the unit set to Field. Create a
Splitter and specify the In_Material port as shown below:
Press the Create Port Button and add a third Out port.(Or set Outlets to be 3) Specify the flow of port Out0 to be
50 lbmol/h and the flow of port Out1 to be 60 lbmol/h. The splitter is completely determined as shown below.
Notice that the flow rate of Out2 is -10 lbmol/h in order to satisfy the material balance over the splitter and that
negative (reverse) flows are acceptable in VMGSim.
Splitter Dynamics
Splitter - Dynamics
Main Flow sheet
PFD Stencil
General
Splitters (also knows as tees) are used to split an inlet flow into a number of identical outlet flows. In dynamics, it
is possible for flows to reverse direction. The splitter mixes all inward flows adiabatically and assign the mixture
properties to all outward flows.
Outlets
Shows the number of Out_Material ports added to the splitter. This parameter can also be used to edit the num-
ber of Out_Material ports added to the splitter.
Sets the number of the outlet Material Ports;
Geometry
Geometry information is required only if you wish to model a pipe tee. There are four possible configurations for
a pipe tee based on the expected flow directions:
The first two configurations should be modeled as a splitter, and the last two as a mixer.
There are currently two methods for calculating pressure losses in a tee: Crane and Miller.
Crane
The Crane method gives a pressure loss in velocity heads of 20*fT for the straight through run, and 60*fT for
the branch. This is modeled in the simulator by assigning a pressure drop of 10*fT to each of the straight-
through nozzles, and 50*fT to the tee nozzle. It can be seen that the total pressure drop will match the Crane val-
ues regardless of flow direction. The Crane method requires only the nozzle diameters.
The Crane method treats all connections other than the first inlet and outlet as branches. You can have as
many branches as desired.
Modified Crane
This method is similar to Crane, but it accounts for non-ideality in pressure recovery due to expansion.
Miller
The Miller method is based on charts published in the book Internal Flow Systems, D.S.Miller, 2nd ed, 1990.
For the Miller method there must be exactly three nozzles in total, and the diameter of the straight
through run must be constant - i.e. the first inlet nozzle and the first outlet nozzle (Diam In and
Diam Out) must be the same.
The convention is that the nozzle with combined flow has subscript 3, the branch flow has subscript 1, and the
remaining flow has subscript 2. Pressure loss is calculated between the combined flow and the other nozzles -
hence K13 is the loss for the branch flow and K23 is the loss for the straight run flow. The loss is expressed in
velocity heads of the combined flow. Note when doing a pressure balance that the losses must be super-
imposed on the ideal head change caused by change in pipe diameters.
For e.g. the branch flow for the flow combining case
h1 + u1^2/2 = h3 + u3^2/2 + (loss = K13* u3^2/2)
Diam In
The diameter of the nozzle for the feed/inlet stream.
Diam Branch
The diameter for the branch of the tee.
Diam Out
The diameter for the nozzle for the straight through outlet.
Branch Angle
The angle of the branch. The angle is always measured between port 2 and port 1.
Fillet Radius
Tees can have a fillet radius, which, in most circumstances reduces the pressure drop along the branch path.
Opposing flow
Check this if during normal operation, you expect that the combined flow will be in the branch.
DP Method
Select between Default, Crane and Miller. Default follows the method selected on the settings tab of the flow-
sheet form.
K13 Loss Coef

K23 Loss Coef

Advanced
Volume
Dynamic Mode
Normal
This gives the normal behavior for the splitter: Material balance is preserved, and all feed and product pres-
sures are the same.
Decouple Pres
Feed Clone
the flow direction.
Feed Clone Sum


This is an advanced feature that allows for scaling the flow up or down. It is useful where, for instance there are
two parallel trains, but you wish to model only one of them.
Has Pig
Enables to select if the splitter has a pig present. ( For more details about Pigging, See Pipe Segment section).
Phase Split Method
The method for phase split.
Equal
The phases split evenly.
Hart/Wren
Hart method for horizontal tees, and Wren method for vertical tees.
Kin Energy
Split based on the inlet kinetic energy ratio
Default
Sets the method to (and then displays) the current flowsheet default.
Vap Mass SplitFrac

The mass fraction of vapor leaving the branch
Liq Mass SplitFrac

The mass fraction of liquid leaving in the branch
Material
Shows all of the inlet ports and the outlet port included in the spltter configuration.

Add extra In_Material port to the spltter. The default number of Inlet material streams is two.

Delete an In_Material port from the spltter, at least one inlet stream must be present.
Nozzles (Tab)
e.g. a separator
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type

Notes (Tab)
Surge Controller
Surge Controller Dynamics
Surge Controller Dynamics
Main Flow sheet
PFD Stencil
General
The Surge Controller is a dynamics only unit operation
General
The Surge Controller is used to maintain sufficient flow through centrifugal and axial compressors to prevent
surge from occurring. The controller operates a recycle valve, which recycles gas from the delivery to the suc-
tion, thus increasing the volumetric flow through the machine
The Surge Controller currently supports a generic algorithm which has two components, a PI algorithm which is
active whenever the actual flow through the machine is less than a specified control value, and an emergency
opening algorithm which is active whenever the flow is less than a specified backup flow.
Note that the control variable for the surge controller is Q2. For user convenience, the setpoint, actual flow and
PV Range are displayed as Q rather than Q2.
Connections
Compressor
The associated compressor stage modeled by a compressor unit operation
Note that the surge curve used by the generic algorithm is specified in the curves tab of the compressor unit
operation.
Output
The output connection. This would typically be the recycle valve if this stage has its own recycle, or a selector
block configured for high select if multiple stages are guarded by the same recycle.
Summary (Tab)
Design
Control Line Constant / Control Line Slope

The control line is defined as an offset relative to the Surge Line. The offset has two components: a constant off-
set (b), which is defined as percent of (PV Range)2, and a variable portion (m), which is defined as percent of
(Surge Flow)2
The control line provides the setpoint for the PI portion of the control
Backup Line Constant / Backup Line Slope

The backup line is defined as an offset relative to the Surge Line. The offset has two components: a constant off-
set (b), which is defined as percent of (PV Range)2, and a variable portion (m), which is defined as percent of
(Surge Flow)2
The backup line marks the flow at which emergency measures are implemented to avoid crossing the surge
line.
The particular algorithm used is that as the flow crosses the backup line, the emergency output ramps up lin-
early, such that 100% output is reached when the flow is midway between the backup line and the surge line. If
the calculated emergency output is greater than the PID output, it replaces the PID output. The emergency
action never reduces the controller output – that will happen only from the PID portion of the control action.
Performance
PV
The actual suction flow to the stage
SP (Calculated)
The calculated control flow at current operating conditions
OP
The calculated output.
Mode
The control mode for the controller, which would normally be Automatic.
Calc Surge Flow

The calculated surge flow at current speed.
Tuning
Kp
The proportional gain used for the PI algorithm. Note that the error is measured in Q2.
Ti
The integral (reset) time for the controller
Td
The derivative time for the controller
PV Min / PV Max
The span for the measured value (actual flow)
OP Min Stop/ OP Max Stop

Limits the range of the output
A typical use for this is to manually set a minimum opening on the recycle valve
Towers
Introduction to VMGSim Towers
Main Flow sheet
PFD Stencil
Examples Towers - Distillation\IntroductiontoVMGSimtowers.vmp
General
The VMGSim Tower unit operations use a comprehensive implementation of the Inside-Out algorithm (Russel,
1983) to provide fast solutions to the mass and energy balance equations defining distillation towers, refluxed
absorbers, reboiled absorbers and absorbers. VMGSim Towers also support side strippers and pump arounds.
There are multiple icon display methods for a tower on the PFD. The most useful set of icons are the detailed
tower icons. These display the feed stage locations, the draw stage locations, the total number of stages and
any condensers and reboilers.
The Tower Name (T1), the Number of Stages in the tower and the degrees of freedom remaining in the tower
are displayed on the tower form title.
Number of Stages
Shows the number of stages in the tower. Condensers and reboilers are considered stages, even in the case of
a total condenser.
VMGSim numbers the stages from top to bottom. The top stage is number 1 and the bottom stage is the num-
ber of stages.
For example, when you create a distillation tower, you have three stages by default: a condenser, a reboiler and
a single stage between the condenser and reboiler.
Degree of Freedom
The degree of freedom shows you how many specifications are available before the system of equations rep-
resenting the tower material and energy balance relationships can be solved. The degrees of freedom concept
is important and it is discussed in more details in the following section.
Add/RemoveStages…
Allows stages to be added or removed from the tower. A distillation tower has three stages by default: a con-
denser, a reboiler and a single stage between the condenser and reboiler. Clicking the Add/RemoveStages but-
ton will bring up the following form.
Add/ Remove __ stages(s)

The number of stages to be added or removed.
BelowStage
Pull down menu that selects the stage below which stages will be added or removed.
Schematic
By clicking the schematic button a detailed schematic diagram of the tower will be displayed in a separate win-
dow. This is a ‘live’ schematic and any changes in the column configuration, such as the addition of stages or a
side stripper, will immediately be displayed.
Print
Prints the Tower schematic to a user defined printer.
Zoom
Allows the user to zoom into the tower schematic.
Close
Closes the tower schematic form.
Solve
Will solve the column using the initial specifications and estimates.
Restart
Will solve the column using the last set of iterations for the initial conditions.
Last Conv
Will solve the column using the last set of converged data for the initial conditions.
Always Restart
Check box to toggle whether or not the tower will always restart after a change is made.
Configuration
The Configuration tab is where the tower configuration is modified. There are two distinct areas in the con-
figuration tab, the first is where modifications are made to the configuration of the reboiler and condenser.
Condenser:
Pull down menu that allows the condenser configuration to be selected. The options are None, Partial and
Total. For a distillation tower, the default is a partial condenser. A partial condenser produces only passes part
of the vapor stream from the top of the tower through the condenser, while a total condenser passes all of the
vapor stream through the condenser.
Reboiler:
Pull down menu that allows the reboiler configuration to be selected. The options available are None, Kettle
and Thermosyphon. For a distillation tower, the default is a kettle reboiler.
Kettle Reboiler
A kettle reboiler is operated by drawing the product off of the bottom stage of the tower and sent to a reboiler.
An energy stream is sent to the reboiler to boil the liquid draw from the tower. The vapor from the reboiler
leaves out of the top and is sent back to the column, while the liquid from the reboiler leaves as a product.
Thermosyphon Reboiler
A thermosyphon reboiler is a shell and tube heat exchanger, with one pass for each side. The liquid draw from
the column enters the bottom of the thermosyphon and is boiled by an input energy stream. This reboiler pro-
duces a mixture of liquid and vapor, as well as a liquid stream. The liquid/vapor mixture stream is sent back to
the column, while the liquid stream leaves as a product. When using a thermosyphon an extra stage is added to
the column, since the reboiler now will act as a stage. Also, an additional degree of freedom is added to the
tower. This extra degree of freedom is the thermosyphon return vapor fraction, which is the vapor fraction of
the stream that is returned to the column.
Degree Subcool:
The degree of subcooling that will occur in the condenser.
Tower Sizing:
This button allows the tray sizing information to be accessed. More information on tower sizing in VMGSim can
be seen in the ‘Tower Sizing and Rating in VMGSim’ section.
The second area of the configuration tab allows for more advanced tower configurations changes, such as the
addition or removal of tower feeds and draws and the configuration of side strippers and pump arounds.
Each item in the tower configuration entry area performs and manages a specific type of tower feature.
However, there is a set of basic functions that are common to each item.
Adding Feature
To add a tower feature Click on the appropriate <New> text box, this will bring up a button to the right of the
name. Click on this button to launch a dialogue box where the particular feature can be added and configured.
Editing a Feature
To edit a particular tower feature, click on the appropriate name and then on the button that appears to the right
of the name to launch a dialog box where the feature can be edited.
Deleting a Feature
To delete a feature click on the name of the tower feature and press delete.
Each of the feature areas had a series of drop down menu that will display increasingly detailed information
regarding a specific feature. For example the default FEED area view is.
Further details can be examined by clicking the + to the left of Details.
The same set of information available in a material stream or port is available when the FEED details are expan-
ded. Click on the + of any item to view additional information. To reduce the amount of information displayed in
a particular area click on the – to the left of the given item, for example, by clicking on the – to the left of FEED
will result in the following view.
Note about Material Ports and connected objects

Feeds can be specified as In ports without specifying a material stream to act as a feed.
Feed
Where existing tower feed(s) are modified and where additional feeds to the tower can be added or removed.
Name
The Name for the given feed that will appear in the Feed area.
Stage
The Stage at which the feed will enter the tower.
Draw
Where existing draws can be modified and where draws can be added (or removed) to the tower.
Name
The Name for the given draw that will appear in the Draw area.
Stage
The Stage at which the draw will leave the tower.
Type
Pull down menu to select the type of draw that will be added, VapourDraw, LiquidDraw and WaterDraw are the
available options.
Where:
VapourDraw
The draw stream will remove only vapour from the selected stage.
LiquidDraw
The draw stream will remove only liquid from the selected stage.
WaterDraw
The draw stream will remove any water on the selected stage.
Energy
Where existing energy streams can be modified and where energy streams can be added (or removed) to the
tower.
Name
The Name for the given energy stream that will appear in the Energy area.
Stage
The stage at which the Energy stream will enter/leave the tower.
Type
Pull down menu to select the type of energy stream that will be added to the tower, EnergyIn and EnergyOut
Where:
EnergyIn
The Energy stream added will be flowing into the tower.
EnergyOut
The Energy stream added will flowing out of the tower.
Internal Vap/Liq
Where existing internal vapour/liquid streams can be modified and where internal vapour/liquid streams can be
added (or removed) to the tower. The internal vapour/liquid stream are the flow rate of vapour or liquid leaving a
selected stage and can be used to view the internal flow rate in the tower, or as a specification value for the solu-
tion of the tower.
Name
The Name for the given Internal vapour/liquid stream that will appear in the INTERNAL VAP/LIQ area.
Stage
The stage which the Internal vapour/liquid stream is leaving.
Type
Pull down menu to select the type of Internal stream that will be added to the tower, InternalLiq and InternalVap
Where:
InternalLiq
The Internal stream will be the liquid leaving the selected stage.
InternalVap
The Internal stream will be the vapour leaving the selected stage.
Side Stripper
Where existing Side Strippers can be modified and where Side Strippers can be added (or removed) to the
tower.
Number of Stages
The number of stages in the side stripper.
Use Steam or Energy

Pull down menu to select if the side stripper uses live steam (Steam) or a reboiler with an energy stream
(Energy). If Steam is selected, a material In port is added in the Steam/Energy section of the SIDE STRIPPER
area.
Draw Stage
The stage in the main tower from which liquid is taken and fed to the side stripper.
Return Stage
The stage in the main tower where vapour is returned from the side stripper.
Product Name
The Name of the product material port that will appear in the product section of the side stripper area.
Energy/Steam Name
The name of the Energy port or the Steam material port in the Energy/Steam Section of the side stripper.
Note that the stage numbering convention for side strippers is to have the first stage of the first side stripper
start at '1 (Side Stripper Name)' where Side Stripper name is the name of the Side Stripper on the Con-
figuration tab. The ordering of the Side Stripper stages is based on the Stage Number Selection on the Settings
tab (Top Down or Bottom Up). The numbering will increase until the end of the Side Stripper is reached. Addi-
tional side strippers are listed, starting with the integer 1, with the Side Stripper name changing. The Side Strip-
pers are always listed at the bottom of the Profile.
Pump Around
Where existing Pump Arounds can be modified and where Pump Arounds can be added (or removed) to the
tower.
Name
The Name for the given Pump Around that will appear in the PUMP AROUND area.
Draw Stage
The stage at which the pump around stream will leave the main tower.
Return Stage
The stage where the pump around return will enter the tower.
Vapour Slip
Where existing vapour slips can be modified and where vapour slips can be added (or removed) to the tower.
The vapour slip will allow a certain amount of vapour to be bypassed around a selected section of stages in the
column.
Name
The Name for the given vapour slip that will appear in the VAPOUR SLIP area.
Draw Stage
The stage at which the vapour slip draw will leave the tower.
Return Stage
The Stage where the vapour slip return will enter the tower.
Spec/Estimates
The Spec/Estimates tab is where the tower specification and estimates are managed. This Tab is divided into
four separate areas: a Specification area, a View Specification Area, an Estimates area and an area to specify
the pressures of the towers draws.
Specs and Monitored Variables.

The VMGSim tower algorithm will keep track of the degrees of freedom required to solve the column and allot
the appropriate number of specifications. The remaining number of required specifications is shown in the mes-
sage bar above the specification area.
To add a new specification click on the Add.. button. A dialog box where the specification can be configured.
Name
The name of the added specification.
Type
There are several different categories of specifications which can be selected. They are detailed below.
Stage Spec
Specification Definition
Reflux Ratio The ratio of the liquid feed to the top stage to the dis-
tillate rate from the condenser.
Reboil Ratio The ratio of the vapor feed to the bottom stage to the
bottom product rate from the reboiler.
Reflux Mole Flow The mole flow of the liquid feed to the top stage.
Reflux Mass Flow The mass flow of the liquid feed to the top stage.
Reflux Std Liq Vol Flow The standard liquid volume flow of the liquid feed to
the top stage.
T The temperature that the stage operates at
Duty Spec
The duty value of an energy feed or draw.
Duty to Feed Ratio Spec
Duty to Feed (Mol) The ratio of the energy feed or draw to the feed mole
flow. The feed or energy stream must be specified.
Duty to Feed (Mass) The ratio of the energy feed or draw to the feed mass
flow. The feed or energy stream must be specified.
Duty to Feed The ratio of the energy feed or draw to the feed
(StdLiqVol) standard liquid volume flow. The feed or energy
stream must be specified.
Draw Property Spec
H The enthalpy of a specified draw.
S The entropy of a specified draw.
MolecularWeight The molecular weight of a specified draw.
MassDensity The mass density of a specified draw.
Cp The specific heat of a specified draw.
ThermalConductivity The thermal conductivity of a specified draw.
MolarV The molar volume of a specified draw.
Viscosity The viscosity of a specified draw.
SpeedOfSound The speed of sound of a specified draw.
Draw Special Prop Spec
BubblePoint The temperature at which a vapor is first formed
for a specified draw.
DewPoint The temperature at which a liquid is first formed
for a specified draw.
WaterDewPoint The temperature at which water condensation
first occurs for a specified draw.
BubblePressure The pressure at which a vapor is first formed for
a specified draw.
ReidVaporPressure_D323 The Reid Vapor Pressure using the D323
method for a specified draw.
ReidVaporPressure_D1267 The Reid Vapor Pressure using the D1267
method for a specified draw.
FlashPoint The lowest temperature at which the specified
draw forms an ignitable mixture with air.
PourPoint The lowest temperature at which the specified
draw will pour.
KinematicViscosity The kinematic viscosity of a specified draw.
DynamicViscosity The dynamic viscosity of a specified draw.

ParaffinMolPercent The paraffin mole percent of a specified draw.
NaphthaleneMolPercent The naphthalene mole percent of a specified
draw.
AromaticMolPercent The aromatic mole percent of a specified draw.
CetaneNumber The cetane number of the specified draw.
ResearchOctaneNumber The research octane number of the specified
draw.
MotorOctaneNumber The motor octane number of the specified draw.
GHV The gross heating value of a specified draw.
NHV The net heating value of a specified draw.
pH The pH of a specified draw.
HydrateTemperature The hydrate formation temperature of a specified
draw.
RefractiveIndex The refractive index of a specified draw.
CO2VSEFreezing The temperature at which CO2 freezes in vapor-
solid equilibrium for a specified draw.
CO2LSEFreezing The temperature at which CO2 freezes in liquid-
solid equilibrium for a specified draw.
LowerWobbeIdx The lower Wobbe Index for a specified draw.
HigherWobbeIdx The upper Wobbe Index for a specified draw.
Draw Component Spec
MoleFractionSpec The mole fraction for a specific component
in a specified draw.
VolFractionSpec The volume fraction for a specific com-
ponent in a specified draw.

MassFractionSpec The mass fraction for a specific component
in a specified draw.
ComponentMoleFlowSpec The mole flow for a specific component in a
specified draw.
ComponentMassFlowSpec The mass flow for a specific component in
a specified draw.
ComponentStdLiqVolFlowSpec The standard liquid volume flow for a spe-
cific component in a specified draw.
Draw Comp Recovery Spec
MoleRecoverySpec The fraction of the fed mole flow of a specific com-
ponent that is removed in the specified draw.
MassRecoverySpec The fraction of the fed mass flow of a specific com-
ponent that is removed in the specified draw.
StdLiqVolRecoverySpec The fraction of the fed standard liquid volume flow
of a specific component that is removed in the spe-
cified draw.
Draw Comp Ratio Spec
MoleRatioSpec The mole fraction ratio of two specified com-
ponents for a specified draw.
MassRatioSpec The mass fraction ratio of two specified com-
ponents for a specified draw.
StdLiqVolRatioSpec The standard liquid volume fraction ratio of two spe-
cified components for a specified draw.
Draw Flow Spec
MoleFlow The mole flow of a specified draw.
MassFlow The mass flow of a specified draw.
VolumeFlow The volume flow of a specified draw.

StdLiqVolumeFlow The standard liquid volume flow of a specified
draw.
Draw Cut Temperature Spec
The cut temperature for each method can be found on a volume, mass or mole percent basis.
TBP The cut temperature for a specified draw using a
TBP curve.
D86 The cut temperature for a specified draw using a
D86 curve.
D2887 curve.
EFV The cut temperature for a specified draw using a
EFV curve.
D1160 curve.
D1160Vac The cut temperature for a specified draw using a
D1160 vacuum curve.
Draw Gap Temperature Spec
The gap temperature is the temperature difference between two specified draw streams at their specified
percentages. The gap temperature for each method can be found on a volume, mass or mole percent basis.
The temperature of the ‘Draw’ port at the ‘To’ percentage is found, as well as the temperature of the ‘From
Draw’ at the ‘From’ percentage. The difference between these two values is the gap temperature. The fol-
lowing cut methods can be used.
Cut Method
TBP
D86
D2887
EFV
D1160
D1160Vac
Draw True Vapor Pressure
The true vapor pressure at the specified temperature of a specified draw.
PA Delta T Spec
The temperature drop across a specified pump around.
PA Return T Spec
The temperate of the return feed from a specified pump around.
PA Return Property Spec
H The enthalpy of a pump around return.
S The entropy of a pump around return.
MolecularWeight The molecular weight of a pump around return.
MassDensity The mass density of a pump around return.
Cp The specific heat of a pump around return.
ThermalConductivity The thermal conductivity of a pump around return.
MolarV The molar volume of a pump around return.
Viscosity The viscosity of a pump around return.
SpeedOfSound The speed of sound of a pump around return.
Thermosyphon Reb Spec
Return Mole Vap Fraction The vapor fraction on a mole basis of the
stream from the thermosyphon that is returned
to the column.
Return Mass Vap Fraction The vapor fraction on a mass basis of the
stream from the thermosyphon that is returned
to the column.
Stage
Pull down to select the stage that the specification will be applied to.
Value
The value of the specification that will be used to solve the column.
You can also specify flows and temperatures directly on ports. For example, you could specify the flow of the
liquid from the condenser directly in the condenserL draw and that would be properly interpreted as a spe-
cification.
Removing specifications
Specifications can be removed by clicking on the delete button.
Convert specifications to monitored variables

Removing the value of an active specification will convert the specification to a monitored variable. When the
tower solves with a different set of specs, the calculated value of the variable will be shown within the same sec-
tion.
Monitored Specifications
The tower allows to keep track of important variables that are not specifications.
Monitored variables are added and deleted in the same way that Specifications are added and deleted.
Pressures for Draw Stages

The pressures of the tower draws are specified here. The tower will linearly distribute pressure drops between
defined pressure values. If only a single pressure value is entered, the tower will have a constant pressure pro-
file.
Profiles and Plot

The profiles and plot sections provide immediate feedback regarding the impact that changes on the specs
have on the behavior of the tower.
Estimates
Estimates are values that can be used to help the tower converge to an initial solution by providing the inside out
algorithm with an educated place to begin iterating. The estimates are only used in cases in which the ‘Solve’
button is pressed. When the ‘Restart’ or ‘Last Conv’ buttons are used, the initial conditions are already set.
Efficiencies
The overall efficiency for each stage is managed in the Efficiencies tab. The efficiency used for each stage is a
Modified Murphree stage efficiency. By default, stages are considered ideal (overall fractional stage efficiency
of 1) but can be change this value by clicking the Edit button to bring up the following form.
To edit an individual stage efficiency click on the desired cell and enter a new efficiency. To change the effi-
ciency of all of the stages click on the Const … button to bring up the following form.
The individual compound efficiencies can be defined for each stage as well. Select the ‘Compound’ radio but-
ton to specify the compound efficiencies.
Profile
The Profile tab contains a table which displays values of interest for each stage inside the tower. By default, the
Feed/Draw status, the EnergyFeed status, temperature, pressure, liquidflow and vapourflow for each stage is
included in the table, although additional properties can be added.
Add/Remove
Allows additional properties to be added to the Profile Table. The > and < buttons add or remove the selected
properties and the >> and << button will add or remove all of the available properties.
Plot
Allows a plot of the selected tower properties to be configured and viewed. Clicking on the Plot button brings up
the following form.
X-Axis
Pull down menu to select the variable plotted on the x-axis.
Y-Axis
Pull down menu to select the variable plotted on the y-axis.
Use Second Y-Axis

Check box that toggles whether a second y-axis will be included in the plot. If checked a pull down menu will be
enabled from which the secondary y-axis variable can be selected.
Plot
Click the Plot button to generate a window where the plot can be viewed.
Plot Window
The user can zoom into a section of the plot by clicking the plot window and holding the left mouse button while
dragging the mouse across the desired area. Press the Esc key to unzoom. The size of the plot window can be
increased by right clicking on it, this will make the plot window occupy the entire plot tab and the plot controls will
to disappear. To make the plot control reappear, right click on the plot window.
Plot control
Check Boxes
Allows the user to toggle several basic plot window configuration items. For example, the user can switch
between a Black & White or Color plot or switching the y axis between a linear or logarithmic scale.
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Convergence
Contains numerical settings to control the tower convergence as well as an Iterations text box where the status
of the tower convergence can be viewed.
Iteration
Text box that contains information regarding the convergence of the tower.
Initialization Method
Pull down menu to select the method that will be used to initialize the first Jacobian matrix for the tower. The
default rigorous initialization method is the recommended method.
Settings
Three Phase Model

Activates the three phase model.
Stage Numbering
Stage numbering convention to start either from the top (default) or from the bottom
Vap Feed to Stage Above

When true, it assumes that a vapor feed goes directly to the stage above without mixing with the contents of the
feed stage. Default to false.
Ignore Eff. in Feed Stages

Assume efficiency of 1.0 for stages with feeds even when the efficiency is set to a different value.
Ignore Eff. in Draw Stages

Assume efficiency of 1.0 for stages with draws even when the efficiency is set to a different value.
Key Component in Water Draw

Key component used to identify the water phase in a water draw ( the second liquid phase). Default to WATER
Min. key cmp. frac. in Water Draw

Minimum mole fraction value of the key component to identify a phase as the water phase in a water draw ( the
second liquid phase). Default to 0.5.
Include Water Draw in Reflux Ratio

When true, it includes the water draw flow in the reflux ratio calculation. Thus the Reflux Ratio becomes equal
to (Reflux Flow) / (Vapour Draw + Liquid Draw + Water Draw). Vapour Draw may not be included if the next
setting is True
Ignore Vapor in Reflux Ratio

When true, it does not include Vapor Draw flow in the reflux ratio calculation. Thus the Reflux Ratio becomes
equal to (Reflux Flow) / (Liquid Draw + Water Draw). Water Draw is not included by default and when the pre-
vious setting is False
Restart on failure
Automatically re-try to converge tower starting from scratchif starting from last converged fails.
Show Draw Column

Shows the draw column in the specs and monitored variables section.
Auto Refresh Specs Tab

Refreshes the Specs/Estimates tab while converging the tower.
Damping Factor
The damping factor affects the step size taken by the inside out algorithm when updating values from iteration
to iteration. A damping factor lower than one results in smaller step changes in the iteration variables than the
ones obtained from the numerical algorithm. The default value is 1.0 (no damping).
FreqJacobianMsg
is shown. The Default is 10.
InitKPower
Only used with 'Simple' initialization method. This variable is used to change the initial K values for the tower as
follows, K = (Ideal K Values )^InitKPower.
Max Inner Error

This is the accepted tolerance for the inner loop equations to be considered solved.
Max Inner Loops

Maximum number of iterations allowed when attempting to solve the inner loop equations.
Max Outer Error

This is the accepted tolerance for the inner loop equations to be considered solved.
Max Inner Loops

Maximum number of iterations allowed when attempting to solve the outer loop equations.
Min Inner Step

The minimum step size used when solving the inner loop equations.
Tower Example
In this example we will examine the use of a distillation tower to separate a simple mixture of four hydrocarbons.
Start a new VMGSim project, select the Advanced_Peng-Robinson property package with normal-butane, nor-
mal-pentane, normal-hexane and normal-octane as the components. Switch the unit set to Field.
Create a new material stream as shown below, note that mass fractions are used.
Now create a distillation tower using the unit operation tree in the tower section
or by drag and dropping a distillation tower using the Visio PFD2 stencil.
Now examine the tower object just created.
You will notice that the tower form is considerably more complex than other unit operations forms. This com-
plexity is due to the flexibility of VMGSim’s tower unit operation. In this example it will be demonstrated how to
use some of the features of the distillation tower operation.
Understanding The Tower Specifications1

To explore the distillation tower you have to understand:
a) The specifications to the tower.
b) Where the specified values originated.
And finally, how the degrees of freedom defining the solvability of the tower unit operation are determined. We
will examine each of these issues in detail since the structure of VMGSim is radically different from any other
process simulator, and you should be aware of how it works in order to extract the maximum benefit of this struc-
ture.
The structure of an equilibrium stage is summarized below.
1This section is partially based on the Sim42 manual
Symbol Meaning
i Component i
j Stage j
L Liquid mole flow
V Vapour mole flow
F Feed mole flow
VSS Vapour side draw
LSS Liquid side draw
Q Heat flow
Different types of distillation towers are created by stacking equilibrium stage together and setting some mater-
ial and/or energy flows to zero.
Tower Degrees of Freedom

VMGSim automatically and continually monitors the degrees of freedom of all unit operations, including the dis-
tillation tower unit operation. Traditional process simulators usually separate the tower unit operation from the
main solver, creating the need for a special algorithm to monitor degrees of freedom and display this inform-
ation to the user.
The tower unit operation is seen as just another unit operation, and the degrees of freedom calculations are per-
formed automatically, depending on the tower configuration you are creating, in an interactive manner. Depend-
ing on the specified values that you provide in the tower material or energy ports or any attached material and
energy streams, the tower unit operation will attempt to solve the particular configuration.
The number of degrees of freedom in any tower can be summarized as the result of the following expression:
DF number of degrees of freedom

SVD number of side vapour draws
SLD number of side liquid draws
EF number of energy feeds
ED number of energy draws
For example, if you have a simple absorption tower, SVD = 1 and SLD = 1, therefore you do not have any
degrees of freedom. As soon as the top and bottoms feeds are completely specified the tower can be run.
The following table summarizes the DEGREES OF FREEDOM analysis for simple tower types.
Tower Type SVD SLD ED EF DF

Absorption 1 1 0 0 0
Reboiled Absorber 1 1 0 1 1
Refluxed Absorber 0 2 1 0 1
(Total Condenser)
(Partial Condenser with
vapour draw only)
vapour and liquid draws)
Distillation Tower 0 2 1 1 2
(Total Condenser)
vapour draw only)
vapour and liquid draw)
Tower Specifications
The tower specifications (with a single class of exceptions we will discuss later) are done in exactly the same
way as specifications in any other unit operation. For example, assuming we have a simple heater with the in
and out material ports completely specified. In this case, all the degrees of freedom are fulfilled and the pres-
sure drop and the energy port are automatically calculated. Now assume that we have two material streams
connected to the in and out ports of the heater. In this scenario we completely specify the material streams con-
nected to the heater. We then have the information from the material streams being propagated to the in and
out material ports, and therefore the degrees of freedom around the heater are all specified and the pressure
drop and the heater duty are calculated.
Now let’s assume that we have a simple absorption tower, to which we attach a vapour and a liquid feed at the
appropriate stages. The tower unit op will automatically detect that all the degrees of freedom are fulfilled, and
will solve.
Along the same lines, consider a reboiled absorber where we have attached (or directly specified via the mater-
ial port) a material stream to the first stage. The tower will not solve because there’s one degree of freedom left
to be specified. If we look at the tower as a simple unit operation, then we know that if we specify a single
degree of freedom from any of the material or energy ports or attached material or energy streams, the tower
will have enough specified degrees of freedom and will attempt to solve. In this experiment, lets assume that we
have material streams attached to the top and bottom stages (to represent the vapour and liquid products) and
an energy stream attached to the last stage to represent a reboiler. Note that the existence of streams is NOT
necessary and their necessary specifications can always be directly done on the ports. If we specify the flow of
the bottoms material stream the tower will then automatically solve.
The most common specification is the overhead product vapour flow or the reboiler duty. This gives you flex-
ibility on the tower specs, since you could have worked out part of your plant downstream from the tower and
have a tower product as the feed to this plant section. Then the tower will take the values from this downstream
section as product specs.
We are left with common tower specifications that really do not belong to material or energy ports such as reflux
ratios, ratios of components, recoveries of components, Reid Vapour Pressure etc. These specifications, which
can not be conveniently described by the In/Out port concept are handled in the Specs tab. We will examine this
in detail.
Adding and Removing Stages

After creating a tower we will need to properly specify the number of equilibrium stages. VMGSim allows you to
add and remove stages from a certain target stage that you specify. In this case, we want to have 28 stages
between the condenser and reboiler. Since the distillation tower is created with one stage between the con-
denser and reboiler by default, we will need to add 27 stages.
Click on the Add/Remove Stages button.
The Add/Remove stages dialog will popup. Change the Add / Remove text field to 27.
Press the Add button.

Note that now the condenser is numbered stage 1 and the reboiler is numbered stage 30.
Connecting a Feed to the Tower

Next, we need to connect a feed to the tower.
Feeds can be specified as In ports without specifying a material stream to act as a feed. In this example, we will
use a material stream, but keep in mind that this is not necessary.
In this example the feed is going to be connected to stage 15.

Click on the Stage Cell and click in the drop down, select stage 15
Click OK.
Now click on the Connected Object cell and select the Out port of material stream S1.
We just have connected the feed to the tower and configured the basic tower layout.
Click on the Schematic… button and you will see a picture of the tower showing its main characteristics.
Click Close.
Adding Specifications
With the basic tower configuration in place, add the necessary specifications and run the tower.
Click on the Specs/Estimates tab.
Start by specifying the reflux ratio. Set its value to 20.
Click OK.
The spec table is immediately updated.
Now specify the liquid distillate flow rate to be 14 lbmol/h. Click onthe Add.. button
Name the spec DistillateFlow and select Draw Flow spec from the Type pull down menu.
Ensure the Draw selected is the Stage_1.condenserL and set the flow rate to be 14 lbmol/h and click OK.
Now specify the vent on the condenser to be zero as shown below.
The completed set of specifications will appear as follows:
We are almost ready to run the tower. Specify the condenser pressure to be 20 psia and the reboiler pressure
to be 25 psia as shown below.
Remember that you can specify flows and temperatures directly on ports. For example, you could have spe-
cified the flow of the liquid from the condenser directly in the condenserL draw and that would be properly inter-
preted as a specification.
Running the Distillation Tower

Click on the Convergence tab. Press the Solve button. The tower algorithm will generate the necessary initial
guesses and solve the tower material and energy balance equations.
Click on the Profiles tab to examine the tower performance.
Examine the compound profiles in the liquid and vapour phases. Click on the Add/Delete… button.
Select the properties you would like to add to the profiles by simply clicking on the desired property and then
pressing the “>” button.
Click OK, the additional properties will now be added to the profiles tab as shown below.
The tower configuration can now be refined by adding two side streams to recover n-Pentane and n-Hexane.
Click on the Configuration tab.
On the DRAW node click on the <New> cell. Create a draw on stage 10 and specify it to be a liquid draw.
Now do the same for stage 24 but specify it to be a vapour draw as shown below.
Note that the tower title bar now informs us that we have 2 degrees of freedom left.
Instead of going to the Spec/Estimates tab, specify the flows of the just added side draws directly on the mater-
ial port.
Click on the Detail node.
Now click on the (draw, MoleFlow) cell for the draw on stage 10 and specify its value to be 19.5 lbmol/h. Repeat
the same procedure for the draw on stage 24 and specify its value to be 24.7 lbmol/h.
Note that the tower will automatically recalculate and the results will appear as shown below.
Now click on the Spec/Estimates tab.

Note that the specs entered in the ports defining the molar flows of side draws on stage 10 and 24 are correctly
interpreted as specs.
Plotting Column Profiles

Click on the Profiles tab.
Click on the Plot… button. The Plot dialog will popup.
Click Plot.
The temperature and pressure profiles will be plotted as a function of the stage number.
The pressure profile was interpolated based on the specified condenser and reboiler pressures. Also note the
almost horizontal regions in the temperature profile. These denote almost pure components, and represent the
recovery of intermediates, thanks to the side draws.
Click on Plot again, and this time choose the n-Butane and n-Pentane liquid mole fractions.
Finally, repeat the procedure but choose n-hexane and n-octane.
Miscellaneous Items
As with other VMGSim Unit operations, material streams are not necessary to input the required material
information to allow the tower to solve, information can simply be input (and output) in the towers material ports.
The above example used a material stream (feed stream S1) to input the feed information and the information
about the draws are contained in the towers material ports. The draw information could be propagated to other
unit operations by connecting the respective ports to each other or by passing the draw information into a mater-
ial stream which could then be connected to a unit operation. We will now add material stream to the material
ports for each draw from the tower. Although there are many ways to add a stream to a material port, in this
case it is easiest to simply type names of the desired material streams in to the connected object cells in the
Draw area, as shown below. This will create, rename and connect a material stream to the specific tower draw.
This method of creating material streams can be used with any other VMGSim unit operation
If Visio is installed on your computer the PFD (open the PFD by clicking the button on the toolbar) of tower
example will appear similar to the following:
It is possible to change the image displayed for the tower in the PFD by right clicking on the tower diagram and
selecting the desired icon from the switch icon option.
Choosing the Towers 3D Static option will change the appearance of the PFD to:
Selecting the DetailedTower: Detailed Tower will switch the tower diagram to the following image, that is a link
to the tower configuration and will show the details in the column (including any pump arounds, side strippers
etc).
A very convenient way of managing specifications in your flow sheet is by using the Summary of Specified Val-
ues button . Click on it to open the following form, which contains all of the specifications available in the flow
sheet.
Distillation Column
Distillation Column
A distillation column is a tower, with a reboiler, a condenser and a contacting section, used to separate the com-
ponents of a feed. The vapor from the reboiler is sent back to the bottom stage of the column, while the liquid
from the condenser is sent to the top stage of the column. There is most commonly a vapor and liquid product
from the condenser and a liquid product from the reboiler.
When a distillation column is created in VMGSim, a tower is created with several default settings. The detailed
tower icon is displayed below.
When created, a distillation column has a partial condenser, a kettle reboiler and one contacting stage. It will
have one feed inlet, a vapor and liquid product from the condenser, and a liquid product from the reboiler. Open-
ing the form of the distillation column, it can be seen that initially a distillation column has 3 degrees of freedom
that need to be specified, as well as the pressure profile.
Distillation Column Example
The following example will demonstrate how to create a distillation column in VMGSim. To start, create a new
VMGSim project. Use the Advanced Peng Robinson property package and add propane, i-butane, n-butane
and i-pentane as components.
Make sure that the unit set for the project is set to ‘Field’. This can be changed using the dropdown menu in the
upper right hand corner of VMGSim.
To start, the feed to the distillation column must be specified. Create a new material stream and specify it as
below.
Now add a distillation column to the project. This can be done by dragging it onto the PFD or by selecting it on
the simulation tree. If dragging the column onto the PFD it can be connected to the created feed stream. Since
there is only one In material port to the distillation column, there is only one possible location for the feed stream
to be connected to the tower.
Open the form for the distillation column.
Notice how by default there are 3 stages and 3 degrees of freedom. There is a partial condenser, a kettle
reboiler, and a contacting stage. The column that we will build should have 20 stages. To add more stages,
press the ‘Add/Remove Stages’ button. That will bring up the following form. Since no additional draws, pump
arounds, side strippers or vapor slips have been added, the 17 stages can be added after the first stage without
significantly effecting the column. The feed location will have to be changed however.
The stage that the feed enters the column should now be changed. It is desired for the feed to enter at stage
10. To do this, select the ‘Stage’ dropdown menu for the feed stream.
The 3 degrees of freedom and the pressure profile must be specified. Open the ‘Specifications’ tab to do this.
The ‘Specifications’ tab is where any information that is set can be found. Information can also be specified in
the ‘Configurations’ tab in the material ports directly. That information will still be displayed in the ‘Spe-
cifications’ tab.
First, specify the pressure profile. The condenser and reboiler pressures will be specified, with a linear pres-
sure profile assumed between the two points. The condenser pressure will be 101psia and the reboiler pres-
sure will be 105psia.
The 3 degrees of freedom must now be specified. The first specification will be a reflux ratio of 1. Looking at the
‘Specs and Monitored Variables’ frame, it can be seen that the reflux ratio is one of these values.
Type a value of 1 for the Reflux
The reflux ratio is now one of the specified variables. Notice how the degrees of freedom dropped from 3 to 2
when we specified the reflux ratio.
The next value that should be specified is the mole fraction of propane in the bottom product. This fraction
should be 0.0001. Open the specification form as below. The type of specification will be a ‘Draw Component
Spec’.
The default specification type is a mole fraction, so that does not need to be changed. The default stage, how-
ever, is the condenser, so that should be changed to the reboiler.
Finally, the desired component of which to specify the mole fraction, and the mole fraction itself, must be set.
The final specification that will be made is the volume flow rate out of the top stage. This flow rate will be set to
0, turning the condenser into a total condenser. This could also be done using the condenser setting on the
‘Configuration’ tab.
The type of specification should be set to ‘Draw Flow Spec’. The default for this type is ‘MoleFlow’, so that does
not need to be changed.
The draw stream that will be specified must be set.
Finally, the flow rate value must be set.
The vapor flow could also have been set to zero by removing the vapor draw from the condenser from the
‘Draw’ frame in the ‘Configurations’ tab.
All of the necessary degrees of freedom have now been set. Pressing the ‘Solve’ button will allow the dis-
tillation column calculations to be performed. The profiles will be refreshing while the tower solves. In addition,
The ‘Convergence’ tab, shows how the tower is converging.
The distillation column is now completed and the outlet material streams can be added.
Distillation Section
Distillation Section - Dynamics
Main Flow sheet
PFD Stencil
Examples Towers - Distillation\DistSect

Standard.vmp
Towers - Distillation\DistSect
Simple.vmp
Towers - Distillation\LLEX
Example.vmp
General
The distillation section models a section of a distillation column. A model for a distillation column can be con-
structed using distillation section(s) together with ancillary equipment such as condensers, reboilers, pumps,
etc.
A schematic diagram and the connections of the extractor can be viewed by clicking the Schematic / Con-
nection node.
Init From Feeds

Use this button to initialize tower profiles from the feed streams
Init From Tower

Use this button to initialize the distillation section from a steady state tower. You must select the tower and the
starting stage, which is done using the form which pops up:
Summary (Tab)
Number of Stages
The number of stages in the section, the default value is 2. For trayed columns, this normally corresponds to the
number of physical trays, and a stage efficiency is used. For packed columns, this would typically correspond to
the equivalent number of theoretical stages.
Main Data - Trayed

Is Packed
Check the box to model a packed column. This cannot be used with the LLEX Simple option
Tray Model
Select the tray model type:
l Standard: Downcomer is modeled separately
l Simple: Weir flow is liquid product flow
l LLEX Simple: A simple model for liquid-liquid extractors based on an inverted sieve tray model
The Simple model is a little less accurate than the Standard model, but is more robust because downcomer
flows are not sensitive to pressure.
Spacing
The spacing between trays, or the HETP in the case of packed columns
Diameter
The column/tray diameter
Volume (Calculated)
The calculated tray volume
Weir Height
The weir height
Weir Length
The total length of all weirs
Downcomer Apron Clearance

The distance between the bottom of the downcomer apron and the tray or downcomer well.
Hole k Factor
The resistance to flow through the tray holes. If the value is not specified, it is calculated by assuming the active
area has 3/8” holes on a 1” triangular pitch. If you need to calculate a value, use the total area for gas flow at the
narrowest point, multiplied by a discharge coefficient.
DC k Factor
The resistance to flow in the downcomer, and under the downcomer apron. If a value is not specified, a default
value is calculated based on the downcomer size and apron clearance.
Efficiency Calc Type
Select the efficiency model. The default is equilibrium.
l Equilibrium – the material on the tray is assumed to reach equilibrium

l Zero – there is no mass or heat transfer between vapor and liquid
l Tray Efficiency – the overall tray efficiency is a user specified value
l Component Eff. – Component efficiencies are specified or calculated
l Mass Transfer -- A rigorous mass transfer model is used to calculate the deviation from equilibrium
Operation Type
Select the operation type. The default is Generic.

l Generic – the normal case – no special handling
l Acid Gas Absorber – Component efficiencies will be auto-calculated if the AutoCalculate option is selec-
ted on the Eff. Detail Tab
l Acid Gas Regenerator – Component efficiencies will be auto-calculated if the AutoCalculate option is
selected on the Eff. Detail Tab
Reaction Reference
The name of an equilibrium reactor or CSTR that defines the desired reactions for the trays. Delete the name to
remove reaction calculations.
Mass Xfr. Corr.
The Mass Transfer correlation used to predict the mass transfer coefficients in the mass transfer model.
l AICHE-- The correlation from the AIChE Bubble Tray Design Manual.
l Chan and Fair -- The correlation from Chan and Fair's 1984 paper.
l Zuiderweg -- The correlation from Zuiderweg's 1982 paper.
Main Data - Packed

Is Packed
Check the box to model a packed column. This cannot be used with the LLEX Simple option
Efficiency Calc Type
Select the efficiency model. The default is equilibrium.

l Equilibrium – the material on thetray is assumed to reach equilibrium
l Zero – there is no mass or heat transfer between vapor and liquid
l Tray Efficiency – the overall tray efficiency is a user specified value
l Component Eff. – Component efficiencies are specified or calculated
l Mass Transfer -- A rigorous mass transfer model is used to calculate the deviation from equilibrium
Operation Type
Select the operation type. The default is Generic.

l Generic – the normal case – no special handling
l Acid Gas Absorber – Component efficiencies will be auto-calculated if the AutoCalculate option is selec-
ted on the Eff. Detail Tab
l Acid Gas Regenerator – Component efficiencies will be auto-calculated if the AutoCalculate option is
selected on the Eff. Detail Tab
Dry Bed Packing Factor

The packing factor used in the Robbins pressure drop correlation. Values are similar in magnitude to the pack-
ing specific area.
Packing Specific Area

The area of the packing per unit volume.
Packing Void Fraction

The void fraction of the dry packing.
Reaction Reference
The name of an equilibrium reactor or CSTR that defines the desired reactions for the trays. Delete the name to
remove reaction calculations.
Mass Xfr. Corr.
l Onda -- The correlation from Onda's 1968 paper
l Bravo and Fair -- The correlation from Bravo and Fair's 1982 paper.
Feeds/Draws (Tab)
The distillation section has dedicated ports for the vapor and liquid feed/product streams. This is because, for
instance, the vapor feed has to pass through the tray holes and incurs a pressure drop.
In addition to these “standard” feeds and products, the user can define additional side feeds and draws, as well
as heat loads on the stage.
To add a side feed, click on the <New> field in the FEED panel. This brings up a view which allows the feed to
be defined:
For side feeds, by default, the vapor efficiency is zero. This implies that the vapor portion of any side feed will
pass directly to the tray above, while the liquid portion will mix with the liquid on the tray.
Similarly, vapor from side feeds does not impact the pressure drop across a tray, but liquid from side feeds adds
to the tray level or the packed section liquid holdup.
For side draws, the kind of draw must be defined. Note that liquid and water draws are treated the same in
dynamics. The material type will be determined by the downcomer inventory.
Vapor side draws are removed from the top of the stage. Liquid side draws are removed at the location of the
liquid product nozzle. For trays, this is at the bottom of the downcomer, and for packed sections this is at the bot-
tom of the stage.
For tray heat loads, the sign of the associated duty must be defined:
Also, the magnitude of the heat load must be defined. This can be done by specifying a value directly in the
Value field, although it is also possibly to use an energy stream.
Geometry(Tab)
This tab details the geometry and pressure-drop factors for each tray.
Detail (Tab)
Downcomer Pressure Balance
Some dynamic process simulators assume that the liquid flow out of the downcomer is the same as the liquid
flow over the weir. This effectively creates a flow specification in the liquid product stream, and the pressure in
the stream is back calculated from the connection to the downstream equipment.
VMGSim calculates the flow out of the downcomer based on the downcomer resistance and a pressure bal-
ance. This is a more rigorous approach, and also allows for modeling abnormal column operation, such as
when the liquid seal on the downcomer apron is lost, and vapor flows up the downcomer.
However, this implies that the pressure in the liquid product stream must be correct. If it is not, the flow in the
downcomer will not be correct. The easiest way to ensure that the pressure is correct, is to connect both the
vapor feed and the liquid product to a separator or another distillation section.
If static head calculations are enabled for the flowsheet, be sure that the nozzle locations for connected equip-
ment match. The liquid product nozzle on the distillation section is located one tray spacing below the vapor
feed nozzle. VMGSim will issue a warning if there is a discrepancy with the nozzle locations on connected equip-
ment.
Detail
The detail tab provides performance profile information for the distillation section
Tray
The trays are numbered from the top down, starting with 0.
Temperature
The equilibrium temperature on the tray. Normally, this is also the temperature of the liquid leaving the tray.
Pressure
The pressure on the tray. This is measured at the top of the vapor space on the tray.
Vap Mole Flow

The vapor molar flow leaving the tray
Liq Mole Flow

The liquid molar flow leaving the tray
Tray Efficiency
The overall Murphree efficiency for the tray
Tray Level
The clear liquid level on the tray (I.e. as if the froth had collapsed)
Height Over Weir

The liquid height over the weir
Froth Height
The expanded liquid height. The ratio of the tray level to the froth height gives the aeration factor.
Down. Clear Liquid Height

The clear liquid level in the downcomer (I.e. as if the froth had collapsed)
Hole Delta P
The pressure drop across the holes expressed as height of clear liquid
DC Fric and Apron dP

The pressure drop in the downcomer and under the apron expressed as height of clear liquid
Pack Detail
The detail tab provides performance profile information for the distillation section
Tray
The trays are numbered from the top down, starting with 0.
Temperature
The equilibrium temperature on the tray. Normally, this is also the temperature of the liquid leaving the tray.
Pressure
The pressure on the tray. This is measured at the top of the vapor space on the tray.
Vap Mole Flow

The vapor molar flow leaving the tray
Liq Mole Flow

The liquid molar flow leaving the tray
Tray Efficiency
The overall Murphree efficiency for the tray
Stage Height
The equivalent height of packing being modeled as a theoretical stage (possibly with efficiency)
Flow Parameter
The flow parameter is defined as (liquid flow/vapor flow)*sqrt(vapor dens/liquid dens)
Volume Holdup
The liquid holdup on the packing expressed as a fraction of the total volume.
DP (In H2O)/ft
The pressure drop expressed as inches of water per foot of packing.
Capacity Parameter
The capacity parameter is defined as (sup. vel. (ft/s))*sqrt(vap dens/(liq dens – vapdens))*sqrt(packing factor)*
(kin visc(cS))^0.05. Note that this factor is not dimensionless.
Eff. Detail (Tab)
The Eff. Detail Tab is visible if Component Eff is selected as the efficiency model.
Edit
Allows the user to edit the component efficiency value
Calculation Type
Options for specifying or calculating the component efficiencies:

l Use Current Values: Uses the current values. These values can be changed by the user by pressing the
Edit… button.
l Use Acid Gas Default. This uses GPA standard values for acid gas treating based on the column type
l Auto Calculate. This option is valid only if the operation type is Acid Gas Absorber or Acid Gas Regen-
erator. It will calculate component efficiencies based on geometry and current operating conditions
H2S/CO2 Eff Multiplier

These values can be used to tune efficiencies for acid gas components when the AutoCalculate option has
been selected
Mass Transfer (Tab)

This tab is visible when the efficiency type is set to Mass Transfer.
Mass Xfr. Corr. (Trayed)
l AICHE-- The correlation from the AIChE Bubble Tray Design Manual.
l Chan and Fair -- The correlation from Chan and Fair's 1984 paper.
l Zuiderweg -- The correlation from Zuiderweg's 1982 paper.
Mass Xfr. Corr. (Packed)
l Onda -- The correlation from Onda's 1968 paper
l Bravo and Fair -- The correlation from Bravo and Fair's 1982 paper.
Effective Efficiency
Back-calculated vapor Murphree Efficiencies for each component.
Profile (Tab)
This tab displays property values for each stage in tabular form. This information is used to create the plots on
the Plot tab. By default Temperature, Pressure, Bulk Liquid, Vapor and L1, L2 molar flows are added to the pro-
file table.
Add/Remove
Allows additional properties to be added to (or removed from) the Profile Table. The > and < buttons add or
remove the selected properties and the >> and << button will add or remove all of the available properties.
Plot (Tab)
Allows selected the selected properties to be plotted and viewed.
X-Variable
Pull down menu to change the X axis variable plotted.
Y-Variable
Plot Window
Plot control
Check Boxes
Allows user to toggle several basic plot window configuration items. For example, switch between a Black &
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Equilibrium Results
This tab allows the user to view equilibrium results for each tray, as well as for the feeds and products for the
section.
Dynamics Example
Please refer to the section in the help manual “Dynamics” | “Introduction To Dynamic Modeling Using VMGSim”
| “Distillation Columns”, which provides a tutorial example of constructing a distillation column using Distillation
Sections.
There are also example cases in the “Documentation\Manual Examples” directory:
DistSect Standard.vmp
This example shows a distillation section configured using the standard tray model. It is a two stage absorber,
with water being fed at the top, and nitrogen at the bottom.
DistSect Simple.vmp
This example is the same as the one above, except that it is using the simple tray model.
LLEX Example.vmp
This example shows a 5 stage liquid-liquid extractor, where benzene is being used to extract ethanol from an
ethanol-water mixture. The column feed rates are fixed, and the interface in the column is controlled by the rate
of withdrawal of the raffinate. The interface level is calculated by measuring the pressure differential across the
column.
Refluxed Absorber
Refluxed Absorber
A refluxed absorber is an absorber with a condenser, which produces a liquid stream that is returned to the
tower. The following shows the default configuration for a refluxed absorber in VMGSim.
When created, a refluxed absorber has a partial condenser and a contacting stage. It will have one feed inlet, a
vapor product and a liquid product from the top stage, and a liquid product from the bottom stage. Opening the
form, it can be seen that the refluxed absorber requires 2 degrees of freedom, as well as the pressure profile, to
be specified.
Refluxed Absorber Example

This example will use a refluxed absorber to represent a sour water strripper with direct steam injection. This
project will be created using the APISour property package with H2S, H2O and NH3 as the components.
The unit set should be changed to ‘Field’ for this case.
The stripper will have two feeds, with one of them being pure steam. Create the following feeds.
Now that the two feed streams have been created, add a refluxed absorber to the PFD. Name it “Sour Water
Stripper”.
By default, the stripper has 1 feed. Open the form to add another feed.
Select ‘<New>’ in the feed frame, to add th new feed
Note that there are currently 2 stages in the stripper. There should be 7 stages. Press the ‘Add/Remove
Stages’ button to add the extra five stages.
Currently the top feed is located at stage 1 and the bottom feed is at stage 7. Move the top feed to stage 2. To
do this, change the feed stage in the ‘Stage’ dropdown menu.
The created feed streams can now be connected to the stripper. To do this, use the ‘Connected Obj’ cells for
each feed. The steam feed is connected to the bottom feed. After connecting the feeds the stream will look as
below.
There will be no liquid draw off of the condenser. This can be specified by either removing the draw stream or
specifying the flow rate to be zero. For this case, we will delete the stream. This will decrease the necessary
degrees of freedom by one. To delete the stream, select the stream’s name and delete it.
To finish specifying the stripper, the pressure profile and the one specification must be set. The top stage pres-
sure will be 25psia and the bottom pressure will be 26psia.
To satisfy the degree of freedom, the temperature of the condenser will be set to 200F. To set this, press the
Add button in the specs and monitored variables section.
The temperature is set as a ‘Stage Spec’. This is the default setting, therefore, change ‘Reflux Ratio’ to ‘T’.
Set the temperature of this stage to be 200F.
After adding this specification, go to the ‘Convergence’ tab and change the damping factor from 1 to 0.6. Press-
ing ‘Solve’ will allow the case to finish.
Decreasing the damping factor will help the tower to solve. If it were left at 1, the tower would not be able to
because the iteration error values would continue to grow, as seen below. The damping factor minimizes or
eliminates this growth.
Returning to the ‘Configuration’ tab and opening the ‘Details’ node for the draws, the results of the case can be
seen.
To finish the case, add material streams to the Out ports.
Reboiled Absorber
Reboiled Absorber
A reboiled absorber is an absorber with a reboiler, which produces a vapor stream that is returned to the tower.
The following shows the default configuration for a reboiled absorber in VMGSim.
When created, a reboiled absorber has a kettle reboiler and a contacting stage. It will have one feed inlet, a
vapor product from the top stage, and a liquid product from the reboiler. Opening the form, it can be seen that
the reboiled absorber requires 1 degree of freedom, as well as the pressure profile, to be specified.
Reboiled Absorber Example

One instance in which a reboiled absorber is used is for a dementhanizer. There are three inlet streams sent to
the demethanizer, each of a different flow rate and composition. The lightest hydrocarbon stream enters the
top of the absorber and the heaviest stream enters closer to the bottom of the column. To start, create a new
VMGSim project using the Advanced Peng Robinson property package. Add nitrogen, carbon dioxide, meth-
ane, ethane, propane and i-butane as components.
Change the active unit set to ‘Field’ using the dropdown menu in the upper right hand corner.
Create the three feed streams as below.
Now add a reboilded absorber to the PFD.
Opening the reflux absorber, it can be seen that there are 2 stages and 1 degree of freedom in the absorber by
default. Change the name of the refluxed absorber to ‘Demethanizer’.
There needs to be 13 stages in the demethanizer; therefore, 11 stages must be added. Press the ‘Add/Re-
move Stages’ button to add these stages. The stages should be added below stage 1.
The additional feeds can now be added to the demethanizer. To do this, press ‘<New>’ in the ‘Feed’ frame.
The two new feeds should be added to stages 3 and 7. Pressing ‘<New>’ will bring up the following form,
which allows the stages to be added at the desired stages.
The third feed can be added to stage 7.
The demethanizer should now look as below.
To allow the demethanizer to solve, the pressure profile and the one degree of freedom must be specified. To
do this, open the ‘Spec/Estimates’ tab.
The top stage pressure will be specified as 150psia and the bottom stage pressure will be 155psia. Do this in
the ‘Stage Pressures’ frame.
One more specification that needs to be taken care of is the one degree of freedom. This value will be the molar
recovery of methane in the top product. This value will be 0.997. To specify this, press Add.. in the Specs and
Monitored Variables section.
This will open the following form. The type of specification will be set to a ‘Draw Comp Recovery Spec’.
The recovery is a molar recovery, so the specification can be left as ‘Mole Recovery Spec’. The stage for the
specification can also be left as the default, as the specification will be for stage 1. The component that will be
used for the recovery must be set next. Selecting methane will add it as the recovery component.
The last item that must be specified is the actual recovery value. Setting this value to 0.997 and then pressing
‘OK’ will add the specification to the demethanizer.
The final task that must be taken care of is connecting the feeds to the demethanizer. Using the ‘Connected
Obj’ dropdown menu, connect each feed to its respective feed port. ‘Feed 1’ will be attached to stage 1.
‘Feed 2’ will be attached to stage 3.
‘Feed 3’ will be attached to stage 7.
Once the final feed is connected the tower will be able to solve. Press solve.
Connecting the last feed will allow the demethanizer to solve. Material streams can be added to the Out ports,
and can be used for future processes.
Absorber
Absorber
An absorption tower is comprised of a vapor inlet, a liquid inlet, a vapor outlet and a liquid outlet. When an
absorber is created in VMGSim, a tower is created with several default settings. The detailed tower icon is dis-
played below.
As can be seen, an absorber does not have a reboiler or a condenser as part of it. There are two feed streams
and two draw streams. The top stage has a feed and a draw, as does the bottom stage. Opening the form of
the absorber, it can be seen that initially an absorber has 2 stages and does not need any degrees of freedom to
be specified. All that needs to be specified for an absorber to solve are the two feed streams and the pressure
profile. With these specified, the absorber will solve.
Absorber Example
The example below will show how to create a 12 stage absorption tower that recovers heavy hydrocarbons
using a lean oil stream. Start by creating a new VMGSim project and select the Advanced Peng Robinson prop-
erty package. Add the following components to the case: C1; C2; C3; iC4; nC4; nC6; CO2; nC8; nC9; nC10;
nC11; nC12; nC13; nC14. Make sure that the unit set is changed to ‘Field’.
For an absorber, there are two feeds that are needed – a vapor feed to enter the bottom stage and a liquid feed
to enter the top stage. The vapor stream will be rich in heavy hydrocarbons, which will be absorbed by the oil.
Specify the rich gas as below.
Create the lean oil stream as below.
The feed stages are now ready to be connected to the absorber. Create an absorber and connect the two
feeds to it. Make sure that the lean oil stream is attached to the top feed and the rich gas stream is attached to
the bottom feed.
Opening the form, it can be seen that by default there are 2 stages in the absorber. However, since the
absorber should have 12 stages in it, increase the total number of stages. Press the ‘Add/Remove Stages’ but-
ton.
That will bring up the following form. Adding the new stages below the first stage will leave the feeds at the top
and bottom stages, as desired. To reach 12 stages, 10 more must be added.
Opening the ‘Spec/Estimates’ tab, the pressure profile can be specified. The top stage pressure will be 995
psia and the bottom stage pressure will be 1000 psia. These are specified in the ‘Stage Pressure’ frame.
Now that all of the necessary information has been entered, pressing the ‘Solve’ button will solve the tower.
The absorberis now solved
Returning to the ‘Configuration’ tab, the data in the Out material ports can be seen. In the ‘Draw’ frame, open
the ‘Details’ node. This will show the material ports.
Open the ‘Comp Mole Flow’ node to see the mole flow of each of the components in each stream.
As can be seen, most of the propane and isobutane and all of the n-butane and n-hexane have been removed
from the gas, and been absorbed into the oil stream.
Material streams can be added to the vapor and liquid product ports now. Name the vapor product ‘Lean Gas’
and the liquid product ‘Rich Oil’.
Tower Sizing and Rating with VMGSim

Tower Sizing and Rating with VMGSim
Examples Towers - Distillation\PackedTowerSizing.vmp
The tower sizing and rating capabilities in VMGSim provide you with the means to estimate either the size or
performance characteristics of trayed/packed towers in VMGSim; for detailed analysis a Tray/Packing man-
ufacturer should be consulted.
The tray sizing and rating capabilities in VMGSim support sieve trays (Economopoulos, 1978) and Glitsch Bal-
last valves tray, V1 and V4 (Glitsch, 1993).
The packing sizing and rating capabilities in VMGSim are based on the Generalized Pressure Drop Charts
presented by Strigle and Kister & Gill, a more detailed description of the packing sizing/rating methodology will
be presented later in this section.
Creating a Tower Sizing/Rating Case

The tower sizing and rating capabilities in VMGSim is accessed by clicking the “Tower Sizing…” button on the
Configuration Tab of any of the towers available in VMGSim.
A form similar to the one below will appear after clicking the Tower sizing button.
All of the tower sizing and rating capabilities are managed in this form. The first step in creating a design/rating
case is to select the desired tower to be investigated. By default, the tower where the “Tower Sizing …” button
was clicked will be selected, but the pull down menu can be used to
select other towers in the simulation. This pull down menu can also be used to navigate between other towers
at any point in time and cases for those towers can be modified in the same form. A case will automatically be
created for the selected tower if one does not already exist.
If the selected tower does not have side strippers, the Main sub tower will be selected and its configuration will
be displayed on the form.
If the selected tower has side strippers it is necessary to select the desired sub tower before the design/rating
can proceed.
Once the desired sub tower is selected its specific configuration will be displayed and the design/rating pro-
cedure will proceed as if there were only a single Main sub tower contained in the tower.
Managing Tower Sizing/Rating Cases

A tower sizing/rating case is created for the tower when the form is opened for the first time. Selecting a dif-
ferent tower from the Tower dropdown will create a case for that tower if one does not already exist. Tower siz-
ing/rating cases can be managed by using the Case frame.
The dropdown on the left is used to select the active case being worked on.
Use the Add/Remove/Rename buttons to create/delete/rename tower sizing/rating cases.
The Type dropdown is used to select the internal tower type for an AutoSection design case.
Buttons to add or remove sections from a design or rating case can also be found in this frame (not shown in
image).
Auto-Run
Set this option to resolve the sizing case every time a variable in the form is modified. This option must be set in
order to perform case studies on tower sizing results.
If the option is not set, you must click the Run button at the bottom of the form to resolve the sizing case.
Available Modes
One of three modes of operation can be selected using the following radio buttons.
AutoSection Design
By default, AutoSection Design is selected when a new case is created, and will estimate the tower diameter
and the relevant tray internal dimensions, in addition to estimating sections of trays with similar diameter and
tray characteristics (i.e. the number of tray passes). The Section Area Factor will influence the number of sec-
tions created based on the tray diameter, smaller numbers will tend to yield fewer sections. The Liquid Flow Per
Wfp Design (liquid flow per average width of flow path) will influence the estimate of number of tray passes, lar-
ger numbers will tend to lead to trays with a lower number of tray passes.
The tower internal type (Sieve Tray, GlitschValve Tray or Packed) to be used in the auto section design mode
can be selected using the Type pull down menu. Sieve trays are selected by default.
There is enough default information specified to allow an AutoSection Design case to be completed (assuming
the selected Tower is solved). For a new case, Auto-Run will be turned on by default and results will already be
calculated. If Auto-Run is not turned on then the "Run" button must be clicked to calculate results. A typical set
of results appears below.
All of the sections created in an auto section design case use the same design variables as defined in Section 1.
If any of the design variables used in an auto section design case are to be modified, such as the tray spacing or
weir height, the changes must be made in Section 1 and the Run button must be clicked again (if Auto-Run is
off) to obtain the new results.
Design
The Design mode will determine the tower diameter and relevant internal dimensions for each of the sections in
the case. Sections can either be created manually or modifications can be made to those created in the auto
section design mode. In the design mode, different sets of design variables can be applied to different sections,
such as tray spacing or design flood factors.
The number of sections can be managed using the “Add Section” and “Remove Section” buttons.
Note that there must be at least one section in the case at all times and the Remove Section button will be dis-
abled if there is only one section.
Each section must also have a specified non-overlapping set of stages. Clicking on the Start and End values in
a section will cause a pull down menu to appear from which tower stages can be selected.
Note that the stage number will correspond to the tower configuration displayed in the upper part of the form
and that condenser and reboiler stages cannot be selected.
The following shows a typical design case once it has been solved.
Rating
The Rating mode requires that each section in the case contains the required tray geometry information and
that the starting and ending stage be specified. Similar to the Design mode, the sections may be either created
and specified by the user or by using the results from an auto section design or design case as a starting point.
When a case is run in Rating mode the performance characteristics will be calculated using the section con-
figuration values, as well as the current information in the tower.
The following form shows typical rating information, as created from a design case.
Results
The results from running a sizing or rating case are presented in several different ways. A brief summary of
some of the section specific values, such as diameter and the number of tray passes, will be displayed in the Cal-
culated Variables node on the Configuration tab.
A more detailed summary of both the section specific (i.e. geometry values and maximum flooding stage) and
stage specific performance (i.e. flooding, pressure drop) values are presented on the Results tab.
Note that the stage specific performance values will be calculated for the resulting geometries for both the Auto
Section Design and Design modes.
The following shows a typical set of results as presented in Results tab.
The Tab is divided into three main windows. A message box window, which will display any messages gen-
erated during the sizing and rating of a tower.
The Section Summary window which displays information related to the tray geometry of the given section, as
well as a summary of the section pressure drop and the stages with the maximum flooding, pressure drop (in
liquid head) and down comer backup.
And the performance profiles window which shows the performance of each individual stage in the tower.
Tower Sizing/Rating Calculation Basis

The algorithms used in the auto section design and design modes are a modified version of algorithms presen-
ted by Economopoulos (1978). The specific design and rating correlations used in the calculation of both the
design and rating mode are dependent on the specific internal type selected. The internal types currently sup-
ported are: Sieve trays and Glitsch Valve trays (V1 and V4 valves). If the Sieve tray internals are selected, the
correlations presented in Economopoulos (1978) for sieve trays are used as the calculation basis for both
design and rating. If the GlitschValve internals are used, correlations taken from or developed based on Glitsch
(1993) are used as the calculation basis for both design and rating.
Packing Sizing/Rating Calculation Basis

The basis for the packing sizing and rating capabilities in VMGSim are based on the generalized pressure drop
correlation charts, specifically those presented by Strigle (1994) for random packing and by Kister & Gill (Kister,
1992) for structured packing. The GPDC charts are shown below:
Fig 1. Strigle GPDC chart for Random Packing (Kister et al., 2007a)
Fig 2. Kister and Gill’s GPDC for Structured packing (Kister et al., 2007a)
It has been found that the GPDC charts give good predictions for most pressure drop data Kister et al. (2007a).
This work also reported that these charts are reliable for flow parameters ranging from 0.1 to 1 for air-water sys-
tems and flow parameters ranging from 0.03 to 0.3 for non-aqueous systems. However, Kister et al. (2007a)
found the GDPC charts to over-predict for flow parameters greater than 0.3 (high liquid rate) and under-predict
for flow parameters less than 0.03 (low liquid rate).
The following equations were taken from Kister et al. (2007a), except where noted.
The x-axis of these GPDC charts is the flow parameter which is defined as:
(eq1)
Where:
L – Liquid mass flow rate (lb/hr)
G - Vapor mass flow rate (lb/hr)
ρG – Vapor density (lb/ft^3)
ρL – Liquid density (lb/ft^3)
Flv – Flow Parameter
The y-axis of these GPDC charts is the capacity parameter which is defined as:
(eq2)
Where:
CP – Capacity Parameter
Cs – C - factor
Fp – Packing Factor (ft-1)
– Liquid kinematic viscosity (cSt)
Note that the Packing Factor (Fp) used in VMGSim is entered in units of ft-1 and is based using the coordinates
of the GPDC charts presented above.
The C factor is defined as:
eq(3)
Where:
Us = superficial vapor velocity (ft/s)
The area of the tower and subsequently the diameter is determined from the superficial vapor velocity, the
vapor mass flow rate and vapor density.
These versions of the GPDC charts do not have a flooding curve, the following correlation predicts the flooding
pressure drop based on the packing factor.
(eq4)
Where:
ΔPFl = Pressure Drop at flood (in H2O/ft packing)
Note that if Fp > 56, ΔPFl is assumed to be 2 in H2O/ft packing
Packed Tower Sizing Procedure

Sizing the tower requires that the tower be completely solved. The sizing procedure will take the stage inform-
ation from the tower along with the user specified values and estimate the diameter of the tower.
The first step in sizing the tower is to calculate the Flow Parameter based on the current information in the
tower for each stage. At this point a design CP is calculated depending on the selected packing design basis.
Two sizing methods are supported, either a Flood Factor method or a Pressure Drop method.
FloodFactor Design Basis

The flood factor design basis sizes the tower so that it will operate at the specified flood fraction.
If the flood factor method is selected ΔPFl is calculated using eq4 (or set to 2 if Fp > 56). The Capacity Para-
meter at flood (CPFL ) is then determined from the appropriate GPDC chart (depending on the type of packing)
by using the Flv for that stage and ΔPFl. A design Capacity Parameter (CPD) is calculated using the following
equation:
(eq5)
Where:
CPD – Design CP
CPFl – Capacity Parameter at flood
DesignFloodFactor – The specified design flood factor

SystemFactor – The system factor for the given system
PressureDrop Design Basis

The Pressure Drop design basis will size the tower so that the tower will operate with a pressure drop per
length of packing no greater than the specified design value at any point in the tower.
If the Pressure Drop method is selected, a Capacity Parameter is determined from the appropriate GPDC chart
(depending on the type of packing) by using the Flv for that stage and the desired pressure drop per length of
packing. A design CPd is then calculated using the following equation:
(eq6)
Where:
CPD – Design CP
CPDP – Capacity Parameter at the specified DP per length of packing
SystemFactor – The system factor for the given system
With a CPD determined using either eq5 or eq6, Cs can be determined by rearranging eq2 to solve for Cs. Us
can then be determined by rearranging eq3. With a known superficial vapor velocity (Us) a cross-sectional area
for the tower can be determined with the following equation:
(eq7)
Where:
AT – Cross Sectional area of the Tower (ft^2)
G - Vapor mass flow rate (lb/hr)

ρG – Vapor density (lb/ft^3)
Us = superficial vapor velocity (ft/s)
Packed Tower Rating Procedure

Rating the tower requires that the tower be completely solved. The rating procedure will use the stage inform-
ation from the tower as well as the diameter of the tower and the packing information for each section. The
tower diameter can either be specified by the user or calculated by the Autosection or Design methods.
The Rating process will calculate a Rated Flood Factor, DP Per Length, Tray Pressure Drop and Packing Hol-
dup. The GPDC charts are used as the basis for the flooding and pressure related values. The following details
how these calculations proceed.
Rated Flood Factor

The rated flood factor is determined by first calculating the Flow Parameter (using eq1) as well as the Capacity
Parameter (using eq2 and eq3) for a given stage. The Capacity Parameter at flood (CPFL) is then determined
from the appropriate GPDC chart (depending on the type of packing) by using the Flv for that stage and ΔPFl.
The rated flood factor is then calculated using the following equation:
(eq8)
Where:
FloodFactor - The Rated Flood Factor

CPOP – Capacity Parameter operating
CPFl – Capacity Parameter at flood
DP Per Length
The DP Per Length value is the predicted pressure drop per length of packing for a given stage. The DP Per
Length is determined by first calculating the Flow Parameter (using eq1) as well as the Capacity Parameter
(using eq2 and eq3) for a given stage. The flow parameter and capacity parameter are then used with the
appropriate GPDC chart in order to determine the DP Per Length.
Tray Pressure Drop

The pressure drop per stage. This value is calculated by multiplying the DP Per Length by the user defined
Packing Length Per Stage value.
Packing Holdup
The Packing Holdup is the amount of liquid contained in the void spaces of a packing, typically reported as the
volume of liquid per unit volume of packing. There are 2 different methods that are available to estimate packing
liquid holdup: The Engel, Stichlmair and Geipel (correlation which applies to the preloading region (Kister et al.
,2007b) and the Billet correlation which applies at the loading point (Billet, 1995)
Variable Summary
The following is a summary of selected input and output variables seen in tower sizing and rating. The variables
are divided into five categories: variables common to all internal types, variables common to both Sieve and
GlitschValve tray internals, variables specific to Sieve tray internals, variables specific to GlitschValve tray intern-
als and variables specific to Packed towers.
Common Variables
Variables common to both the Sieve and GlitschValve internal type.
The diagrams below show some of the tray variables. The flowpath length over the tray is denoted by FPL. The
area between the two dotted lines is the downcomer area from the tray above for a two-pass tray. The sum of
the two solid lined areas is the downcomer area to the tray below for a two-pass tray. The downcomer area
from the tray above is the same as the downcomer area to the tray below. The active area is the sum of the area
that the flow path length covers as it crosses the tray. With the active and downcomer areas known, the tray
area can be found, which is the active area and twice the downcomer area.
The following diagram defines several design variables that are important to tray design as well.
Start
The first tower stage in a section.
End
The last stage in a section.
Internal Type
The internal type of the specific section, the current options are Sieve or GlitschValve. The default setting is
Sieve.
Design Flood Factor

The design flood factor. The AutoSection Design and Design modes will try to design trays/packing sections so
that they come as close as possible to matching the flood factor when rated. The default setting is 0.8 (80%).
System Factor
The system factor, used to account for non-ideal systems, 1 by default.
Section Area Factor

Factor that determines the number of sections that tend to be added when running in AutoSection Design
Mode. Higher values tend to create a larger number of sections, 0.8 by default.
Tray Diameter
The tray/tower diameter, the diameter will be rounded up to the closest 6-in increment in AutoSection Design
and Design mode. For example, a calculated diameter of 5-ft 7-in will be rounded up to 6-ft.
Total Tray Area

The total cross sectional area of the tower.
Tray Pressure Drop

The total pressure drop over the stage in pressure units.
Max Flood Stage

The stage relative to the tower stage number on which maximum flooding occurs.
Max Flood Tray Name

The tray name relative to the section tray number on which maximum flooding occurs.
Max Flood Value

The maximum flooding value in the section.
Section Pressure Drop

The pressure drop over the section.
Rated Flood Factor

The rated flood factor.
Common Tray Variables

Variables common to both the Sieve and GlitschValve internal type.
Active Area
The total active area of the tray.
Downcomer Area
The total downcomer area of the tray.
Number of Tray Passes

The number of tray passes. In AutoSection Design mode the number of tray passes will always be calculated
starting from 1 and is increased if the current Liquid Flow rate / Wfp value is greater than the Liquid Flow Per
Wfp Design value, when running. In Design mode the number of tray passes starts from the currently specified
value and is increased if the current Liquid Flow rate / Wfp value is greater than the Liquid Flow Per Wfp Design
value, if an initial value is not specified the number of tray passes will start at 1.
Weir Height
The weir height, 2-in by default.
Tray Spacing
The space between trays, 24-in by default.
Liquid Flow Per Wfp Design

Maximum value of the liquid flow in the tray divided by the average flow path width allowed before an additional
flow pass is added. The default setting is 8 gal(US)/min/in.
Liquid Flow Per Wfp Maximum

Maximum value of the Liquid flow in the tray divided by the average flow path width allowed. The default setting
is 20 gal(US)/min/in.
Weir Length
The summation of all of the weir lengths on the tray.
Liquid Flow Path Length

The flow path length of the tray.
Liquid Flow Path Width

The average width of the flow path.
Hole Area
The total hole area of the tray.
Fractional Hole Area

The hole area divided by the active area.
Tray Deck Thickness

The thickness of the tray deck.
Max DP Liq Stage

The stage relative to the tower stage number on which the maximum pressure drop in height of liquid occurs.
Max DP Liq Tray Name

The tray name relative to the section tray number on which maximum pressure drop in height of liquid occurs.
Max DP Liq Value

The maximum pressure drop in height of liquid in the section.
Max DC Backup Stage

The stage relative to the tower stage number on which the maximum downcomer backup in liquid height
occurs.
Max DC Backup Tray Name

The tray name relative to the section tray number on which the maximum downcomer backup in liquid height
occurs.
Max DC Backup Value

The maximum downcomer backup in liquid height in the section.
Downcomer Flood Factor

The downcomer flood factor, height of downcomer back up divided by the tray spacing.
Height Clear Liquid In Downcomer

The height of downcomer backup.
Dry Pressure Drop

The dry tray pressure drop over the tray in height of liquid.
Total Vapor Pressure Loss

The total pressure drop over the tray in height of liquid.
Vapor Velocity
The vapor velocity in the area above the tray. Volumetric flow of vapor / (Active Area + Downcomer Area).
Liquid Entrainment
The fractional liquid entrainment.
Sieve Variables
Variables specifically related to the Sieve tray internal type.
Downcomer Area Method

The correlation as defined in Economopoulos used to size the downcomer area of the tray. Glitsch and Koch
are the available methods.
Active Area Method

The correlation, as defined in Economopoulos (1978), used to size the active area of the tray. Glitsch, Koch and
Fair are the available methods.
Hole Diameter
The sieve hole size. 0.375-in by default.
Sieve Dry P Method

The method used to calculate the dry tray pressure drop when the sieve trays are rated.
Sieve Ff Rate Method

The method used to calculate the flood factor when sieve trays are rated.
Weep Factor
The weep factor, the fraction of current volumetric flow rate at which the tray will start flooding. Used in determ-
ining the hole area.
Maximum Tray Pressure Drop

The desired maximum pressure drop per stage used to determine the hole area.
GlitschValve Variables
Variable specifically related to the GlitschValve internal type.
Glitsch Valve Type

The specific Glitsch valve type, V1 and V4 valves are supported. V4 is the default value.
Valve Material
The valve material, the default is SS (stainless steel)
Valve Gage
The Gage of the valve, the default is 14 Gage.
Valve Per Active Area

The number of valves per active area, 12 valves / ft2 active area is the default valve.
Deck Gage
The Gage of the tray deck, the default value is 14 Gage.
Packing Variables
Variables specifically related to Packed Tower internal type.
Packed Design Basis

The method used to estimate the size of a packed tower. FloodFactor and PressureDrop methods are avail-
able, the FloodFactor method is the default.
Design DP Per Length

Used if the Packed Design Basis is selected and is the maximum pressure drop per packing length allowed in
the tower. The default setting is 0.5 inH2O/ft packing.
Packing Holdup Method

The method used to estimate the liquid hold up on the packing. ESG and Billet Methods are available; the ESG
method is selected by default.
Packing Name
The name of the packing variety being used. Set as <User Defined> by default, but numerous packings can be
selected from a database.
The <UserDefined> packing name allows the user to enter values for the packing factor, Surface Area Per
Volume and packing type variables.
Information in the Packing Database was compiled from data presented in Kister (1992), Billet (1995) and
Kister et al. (2007b)
Packing Factor
The packing factor for the particular variety of packing. Must be entered in ft-1 units based using the coordinates
of the GPDC charts presented above.
Packing Area Per Vol

The surface area per unit volume of packing.
Packing Type
The type of packing, Random Packing (RP) or Structured Packing (SP). Determines which GPDC chart is
used in the calculations.
Packing Length Per Stage

The length of packing per stage in the tower, user defined value which is used in the pressure drop and packing
length per section calculations. The default setting is 1.5 ft.
Packing Length Per Section

The total length of packing per section in the tower.
Max DP Stage
The stage relative to the tower stage number on which the maximum pressure drop occurs.
Max DP Tray Name

The tray name relative to the section tray number on which maximum pressure drop occurs.
Max DP Value
The maximum pressure drop in the section.
Max Holdup Stage

The stage relative to the tower stage number on which the maximum liquid holdup occurs.
Max Holdup Tray Name

The tray name relative to the section tray number on which the maximum liquid holdup occurs.
Max Holdup Value

The maximum liquid holdup in the section.
Flvp
The Flow Parameter as defined by eq1 for the given stage.
Packing Holdup
The estimated liquid hold-up on a given stage, volume of liquid per volume of packing.
DP Per Length
The actual pressure drop per unit length of packing for a given stage.
Bibliography
Economopoulos, A.P., Computer design of sieve trays and tray columns, Chemical Engineering, December, 4,
1978.
Glitsch Inc., Bulletin 4900, 6th Edition, Glitsch Inc., 1993.
Kister, H.Z., Scherffius, J., Afshar, K., Akbar, E., Realistically Predict Capacity and Pressure Drop for Packed
Columns, Chemical Engineering Progress, p 28-38, July 2007a.
Strigle, R. F., Packed Tower Design and Applications Random and Structured Packings 2nd edition, Gulf Pub-
lishing Company, Houston, 1994
Kister, H. Z., Distillation Design, McGraw-Hill, USA, 1992
Billet, R., Packed Towers in Processing and Environmental Technology, VHC Publishers Inc., New York,
1995.
Kister et al., Equipment for Distillation, Gas Absorption, Phase Dispersion and Phase Separation, Green, D. W.
and Perry, R. H. (Editors), Perry’s Chemical Engineering Handbook, 8th edition, McGraw Hill, New York,
2007b.
Packed Tower Sizing and Rating Example

Examples Towers - Distillation\TraySizing.vmp
The following example illustrates how the tower sizing and rating feature in VMGSim can be used to size and
estimate the performance characteristics of a packed stabilizer column, as defined in Svrcek et al. (2000).
Start a new VMGSim project using the Advanced Peng Robinson property package and add the following com-
pounds: Propane, i-Butane, n-Butane and i-Pentane. Switch the unit set to Field, by clicking the unit set drop-
down which is located near the top, right corner of the VMGSim program view. Create a stream and specify it
as shown below.
Add a distillation column and add 17 stages.
Set the feed stage to 10 and connect the Feed stream to it.
Add a reflux ratio specification of 1.
Add a propane draw component mole fraction specification of 0.0001.
And add a condenser vapor draw flow specification of 0 lbmole/hr.
Finish specifying the column by entering a pressure profile with a condenser pressure of 101 psia and a reboiler
pressure of 105 psia.
Click the Solve button, the column should solve.
Navigate to the Configuration Tab and click the “Tower Sizing…” button. The following form will appear.
Notice that a case has been created and was solved using default settings. We will keep Auto-Run on to avoid
having to manually resolve the case.
Use the Type pull down menu and select Packed.
The case has been updated to calculate the packed tower size, the recommend packing sections the tower
should be divided into, as well as rate the performance of the newly designed tower.
Note that the AutoSection Design mode recommended that the tower be divided into two sections and a sum-
mary of each section is provided in the Calculated Variables node. Click on the Results tab to view a more
detailed summary of the sections as well as a stage wise performance values.
Now investigate the effect of changing the variety to Koch Flexipac [3] by selecting it from the pull down under
Packing Name:
Note that only variables can be changed in Section 1 and they will be taken into account when the AutoSection
case resolves (click Run if Auto-Run is not enabled).
Bibliography
Svrcek, W.Y., D.P. Mahoney, B.R. Young, A Real-Time Approach to Process Control, John Wiley and Sons,
Ltd., Chichester, England, 2000.
UtilityHV
UtilityHV
Main Flow sheet
PFD Stencil
Examples Separators\UtilityHV.vmp
General
The UtilityHV unit operation simulates the simple process of charging a tank with fluids. The UtilityHV can take
multiple inlets but only have the predefined Liquid 0, Liquid 1 and Vapor outlets. Assuming that known quant-
ities of various fluids are charged into a tank for a specified period of time before the outlet valve is opened. The
charging duration thus determines the tank holdup. Given the total tank volume and the heat loss or heat gain
to the tank, its pressure, temperature and phase split can then be calculated.
It can also be used to calculate the pressure and temperature of a tank with fixed masses of fluids. In this case,
set the charging time to any arbitrary convenient number, such as 1 hour. The fixed masses can then be con-
verted easily into inlet flows. For example, a fixed mass of 5 kg becomes a flow of 5 kg/h.
The operation does not calculate ‘backwards’, in other words all charging fluids must be completely defined.
Inlets
Alternate to using Create Port and Delete Port, one can specify directly the number of input fluids via this para-
meter.
Summary(Tab)
Main Data
InQ
The port InQ specifies the heat supplied to the tank. Use negative values to specify heat losses.
Charging Time
Specifies the inlet fluid charging time before the outlet valve is opened.
Tank Volume
Volume of the Tank
Tank Molar Volume

Molar volume of the Tank
Material
By default, it assumes one inlet, In0 and no heat loss. The hold up fluid is phase split and flows out of the tank
from the Liq0, Liq1 and Vap ports. For fixed mass calculations, these ports show the phase equilibrium con-
ditions of the hold up fluid.
Use the buttons Create Port and Delete Port to adjust the number of In ports and hence the number of fluids
charging the tank.
View the equilibrium results for the port or hold up fluid selected in the drop down menu.
UtilityHV Example
This example will demonstrate how a fixed mass calculation is performed using the Tank unit operation. Con-
sider a sealed container divided into 4 isolated compartments, each containing 1 lb mass of pure carbon diox-
ide, nitrous oxide, methane and ethane respectively. All at a molar quality of 0.5 and pressure of 600 psia. The
partitions are removed and this example calculates the final pressure and temperature of the container.
Start a New VMGSim case and add an APR property package, with carbon dioxide, nitrous oxide, methane
and ethane. Switch the unit set to Field.
Create a tank and set the Inlets to be 4. Specify the four inlets to be pure carbon dioxide, nitrous oxide, meth-
ane and ethane. Set all the inlet VapFrac to be 0.5 and pressure = 600 psia. To set a fixed mass of 1 lb for all
the fluids, specify all in port flow rates to be 1 lb/h and set the charging time to be 1 hour, i.e.
The total tank volume would be the sum of the volumes of the four compartments. Since the charging time is 1
hour, the volume of each compartment corresponds to the volumetric flow rate of the individual inlet streams for
1 hr, i.e. (2.05E-5 + 2.06E-5 + 3.21E-5 + 2.78E-5)*3600 = 0.36395 cubic feet.
It shows that the final pressure is 744 psia at temperature of -8.4 F. The hold up fluid inside the cylinder is split
into a vapor and a liquid. To examine the bulk properties of fluid inside the cylinder, switch to the Equilibrium
Result tab. Make sure that the drop down combo port selection is Holdup.
Valves
Valves
Main Flow sheet
PFD Stencil
Examples Piping and Flow\Valve.vmp
General
The Valve unit operation models an isenthalpic valve.
Schematic
By clicking the Schematic / Connection Node you can view a schematic diagram and connections of the Valve.
Summary (Tab)
Main Data
DeltaP
The pressure drop over the valve.
Cv
The flow coefficient of the (fully-open) valve: the number of U.S. gallons of water per minute at 60 F that will
flow through the valve with a pressure drop of 1 psi. This valve will be be calculated based on the operating con-
ditions of the valve or it can be specified.
Characteristic
This allows the user to specify the valve trim. The options are “Linear”, “Equal Percentage” and “Quick Open-
ing”, with Linear being the default.
% Opening
The valve opening used in the calculation of the Cv At Opening, 100 % open by Default.
Cv At Opening
The effective flow coefficient of the valve: the number of U.S. gallons of water per minute at 60 F that will flow
through the valve with a pressure drop of 1 psi at the specified % Opening.This value is calculated based on the
valve's operating conditions.
Advanced
Valve Type
The type of valve. If a value other than Generic is selected, the valve characteristic will be modified to match the
valve type.
This value will also be used to estimate FL factor and xT factor values.
Choke Calculation
The method used for calculating vapor choked flow. The options are:
No Choke
No choking calculations will be performed
Use Critical P Ratio

Calculates the critical pressure ratio from thermodynamic properties.
Use XT Factor
Calculates the critical pressure ratio from the supplied xT Factor, which is first corrected for Cp/Cv ratios other
than 1.4
Calc. Liquid Choke
Calculations to check for liquid choke will be performed if this value is checked and the inlet fluid contains no
vapor. Liquid choke is caused by liquid flashing to form vapor. The valve status will warn if the liquid is choked,
and Cv/flow calculations will reflect choked conditions.
More Advanced options will be visible when certain options are selected.
xT Factor Calculation
The method used for calculating the valve's xT Factor. The options are:
User Defined
The valve's xT factor must be specified by the user. It is normally available from vendor datasheets.
Est. From Type

(Default) Estimates the valve's xT Factor from the valve type and opening
Use XT Curve
Uses xT curve data provided in the Curves tab to calculate the valve's xT Factor
xT Factor
The critical pressure drop ratio factor. The ratio of pressure drop across the valve to valve inlet pressure
(dP/P1) at which the flow becomes choked.
This property, supplied by the valve manufacturer, is given for air flow at atmospheric conditions (a Cp/Cv ratio
of 1.4). Its value is determined based on the method selected in xT Factor Calculation.
Vap P Calculation
The method used for obtaining the fluid vapour pressure in calculations for liquid choke. The options are:
Simple
(Default) calculates the vapour pressure from Raoult's Law. Recommended for speed.
Rigorous
Performs a flash calculation to obtain the true vapour pressure.
FL Factor Calculation
The method used for calculating the valve's FL Factor. The options are:
User Defined
The valve's FL factor must be specified by the user. It is normally available from vendor datasheets.
Est. From Type

(Default) Estimates the valve's FL Factor from the valve type and opening
Use FL Curve
Uses FL curve data provided in the Curves tab to calculate the valve's FL Factor
FL Factor
The liquid pressure recovery factor. This relates the minimum pressure in the valve to the downstream pressure
and is used in liquid choke calculations. Its value is determined based on the method selected in FL Factor Cal-
culation.
Material
Curves (Tab)
Valve manufacturers provide tabular information on Cv, xT, and FL at various % openings. If more accuracy is
required, these curves can be input to the model.
Number of Points
The number of points on the curves. The Cv values of new points will be estimated automatically based on the
valve characteristic and (if applicable) the values of existing points.
Use Cv Curve
Use Cv curve data provided. The Cv from the main tab should not be specified if using the Cv curve.
Use xT Curve
Use xT curve data provided. The xT value from the main tab will be cleared if using the xT curve. Note that the
value of xT is only used when the Choke Calculation is set to Use XT Factor.
Use FL Curve
Use FL curve data provided. The FL from the main tab will be cleared if using the FL curve. Note that the value
of FL is only used when Calc. Liquid Choke is active.

Valve Example
In this example a Valve unit operation is used to decompress ethane to provide cooling. Create a new VMGSim
case, select an Advanced_Peng-Robinson property package and add ethane to the system. Switch the unit set
to Field. Create a valve unit operation and specify the In port as shown below.
Now specify the pressure at the Out port as 100 psia. Note that VMGSim will automatically calculate the Out
port temperature by performing a PH flash.
Note that the Valve operation can calculate any of four possible variables, the inlet pressure, outlet pressure,
inlet temperature and outlet temperature. For example, you could specify the temperature at the valve outlet
and the pressure will be determined by performing a TH flash. For example, delete the pressure specification in
the Out port and specify the temperature to be – 60 °F.
Valve Dynamics
Valves - Dynamics
Main Flow sheet
PFD Stencil
General
The Valve unit operation models a control valve.
Schematic
By clicking the Schematic / Connection Node you can view a schematic diagram and connections of the Valve.
Summary (Tab)
Main Data
Delta P
The total pressure drop across the valve. This includes contributions from reducers/enlargers and static head.
Cv
The full-open flow coefficient of the valve: the number of U.S. gallons of water per minute at 60 F that will flow
through the valve with a pressure drop of 1 psi.
Characteristic
The valve trim type. The options are “Linear”, “Equal Percentage” and “Quick Opening”, with Linear being the
default.
% Opening
The percentage travel of the valve stem. This is a target value. The actual value may be different because of
bias, or because the actuator response is not instantaneous.
Valve Cv At Opening
The flow coefficient of the valve at the current opening condition. If the opening is 100%, then it equals the Cv
value.
Mass Flow
The mass flowrate through the valve.
In Vol Flow
The actual volumetric flow through the valve at inlet conditions.
Is Choked
A flag indicating whether a choke condition currently exists in the valve.
Actuator
% Opening
The percentage travel of the valve stem. This is a target value. The actual value may be different because of
bias, or because the actuator response is not instantaneous.
Actual Position
The actual position of the valve stem.
Actuator Type
The response characteristic of the valve actuator. The options are:
l Instantaneous: Actual position tracks % Opening
l First Order: The actual position moves to the % Opening with a first order response defined by the Time
Constant
l Linear: Moves at a linear rate based on Stroke Time
l Hybrid: Calculates rate based on Stroke Time and rate based on Time Constant, and uses lower rate.
For large setpoint changes it will typically move linearly until the offset is small, and then move with a first
order response
Actuator Direction
The direction in which the valve actuator moves relative to the input variable signal. Normal and Reverse are
the available options. Normal is selected by default and means the Actual Position will increase with an increas-
ing %Opening.
Time Constant
The time constant of the valve actuator, used when the Actuator Type parameter is set to First Order. When a
step change is made to the setpoint (%Opening), the Actual Position will move 63% of the distance to the target
in the time specified.
Stroke Time
The time to stroke the valve from fully shut to fully open. Used if Actuator Type is Linear or Hybrid.
Time Constant Open

By default, this is empty which implies that the time constant for opening and closing is the same. If you specify a
value, it will be used as the time constant when the valve is opening, and the Time Constant will be used when
the valve is closing.
Stroke Time Open

By default, this is empty which implies that the stroke time for opening and closing is the same. If you specify a
value, it will be used as the stroke time when the valve is opening, and the Stroke Time will be used when the
valve is closing.
Dead Band
The minimum difference between the signal (% Opening), and the actual position before the valve stem will
move. The physical reason that this happens is because of friction/stiction. Dead Band is applied for all actuator
types.
Low Limit
The minimum Actual Position of the valve (Normally 0%)
High Limit
The maximum Actual Position of the valve (Normally 100%).
Bias
This is used to specify an offset between %Opening and Actual Position. (Actual Position = %Opening + Bias)
Actuator Fail Position

The failure behavior of the valve. Valves which are air-to-open will Fail Closed, while air-to-close with Fail
Open. Hand valves and valves with stepper motors may Fail Current Pos. The default is Fail None, which
implies that the valve does not simulate failure behavior.
Actuator Failed
This is used to simulate a valve failure. When Actuator Failed is True, the valve will move to its fail position at the
rate specified by the actuator dynamics.
Regulator
Regulator Type
Use this option to model a self-regulating valve. The options are None and Simple.
The valve stem position in a self-regulating valve is determined by a force balance between the pressure of the
process fluid(s) on a diaphragm, and a tensioning spring. The setpoint is tuned by an adjusting screw which
adjusts the spring compression.
The simple model does not rigorously model the force balance in the valve, and hence cannot predict the time
constant for the valve. However, the user can enter a time constant, and this will be used to adjust the rate of
travel.
Regulator Side
Specifies whether the upstream, downstream or differential pressure is being regulated.
Regulator P1 (0%)
The pressure at which the valve is fully shut. Note that for a downstream pressure regulator, this will be the
higher value.
Regulator P2 (100%)
The pressure at which the valve is fully open. Note that for a downstream pressure regulator, this will be the
lower value.
Regulator dP1 (0%)

The differential pressure at which the valve is fully shut.
Regulator dP2 (100%)

The differential pressure at which the valve is fully open.
Geometry / Choke Calculations
Valve Type
Specifies the type of valve. If a value other than Generic is selected, the valve characteristic will be set to match
the valve type, and a Cv will be estimated based on the valve size. If the Flare Tip is selected, Flare Tip can be
modeled. (See below for more details on Flare Tip)
Size
Specifies the size of the valve. When this value is set, the valve Inlet Diam and Outlet Diam will be set to the
same value. Also, if the valve type is a specific type – i.e. not Generic, a Cv will be estimated based on the valve
size and type.
Inlet Diam / Outlet Diam

Specifies the inlet/outlet piping size. If the valve size is specified as well, and if the pipe sizes are different, the
program will assume that there is a reducer/enlarger and will calculate the pressure change across the redu-
cer/enlarger. The total pressure drop across the reducer/enlarger is reported in the Holdup Feed Nozzle frame.
Choke Calculation
The method used for calculating vapor choked flow. The options are:
l UseCritPRatio (Default), which calculates the critical pressure ratio from thermodynamic properties.
l NoChoke – no choking calculations will be performed
l UseXtFactor – uses the supplied xT Factor (either point value or from curve), and corrects for Cp/Cv
ratios other than 1.4
xT Factor
The pressure recovery factor. This relates the minimum pressure in the valve to the downstream pressure, and
is a function of the valve design. If the xT factor is not specified, it will be estimated based on the valve type and
the current valve opening.
Calc Liquid Choke

Flow in valves can also choke when liquid flashes to form vapor as the pressure drops. This kind of choke cal-
culation can be enabled by checking this selection.
FL Factor
The FL factor is part of the formula for calculating liquid choke and should be specified if Calc Liquid Choke is
enabled. It is normally available from vendor datasheets. If the FL factor is not specified, it will be estimated
based on the valve type and the current valve opening.
Sizing
Upstream P
The upstream pressure (needed to size valve if the flow is choked)
Delta P
The pressure drop across the valve for sizing
Flow Basis
Selection as to whether to specify mass flow or volume flow for sizing
Mass Flow
Mass flow through valve for sizing. (Required if Flow Basis is Mass)
Vol Flow
Volumetric flow through valve for sizing. (Required if Flow Basis is Volume)
Valve Pos
The percent opening at which the flow is being specified for sizing
Size (Button)
Pressing this button sizes the valve and updates the full-open Cv. Note that sizing also requires a fluid density.
The fluid density will be calculated based on the current inlet composition and temperature.
If a Cv curve has been specified, all points will be scaled by a constant factor such that the full-open Cv matches
the calculated value.
Advanced
Noise Calc Method

The method used to calculate the acoustic vibrational power of the valve.
Energy Institute
Correlation from the Energy Institute publication "Guidelines for the Avoidance of Vibration Induced Fatigue
Failure in Process Pipework."
API RP 521
Correlation from American Petroleum Institute Standard 521.
VDI 2713
Correlation from the Association of German Engineers standard 2713.
Acoustic Vib. Power

The Acoustic Induced Vibration Power level around the valve.
Volume
The volume for the valve holdup. This can normally be left as the default value.
Check Valve
Specifies whether the valve should act as a check valve. This feature can be used on its own by specifying a
large Cv for the valve (e.g. Cv=10,000), or in combination with control valve behavior (to model the case where
there is a check valve adjacent to a control valve).
Chk Vlv dP To Open

Specifies the positive delta pressure required to keep the check valve fully open. If this value is non zero, the
check valve will open linearly between zero and the dP specified.
Cg
An alternate specification to Cv. The relationship between Cg and Cv is
Equiv K
An alternative specification to Cv, which treats the valve as a pipe fitting. The pressure drop is given by
The valve size is used to calculate the velocity.
Use Short Reducer

A short reducer has a 90 deg angle (45 deg between axis and wall). The angle is large enough such that there
is no pressure recovery in the enlarger downstream of the valve. A long reducer has an angle of 30 deg.
Choke Vapor Only

If this flag is checked, liquid phases will be considered as incompressible and not subject to sonic choke. Dense
phase or supercritical fluids may be identified by the simulator as liquid, but may still in reality exhibit choking
behavior.
Choke Coef Calc

The method used to calculate the choke pressure ratio. The options are:
l Hybrid (Default) - If Cp/Cv ratio < 3.0, use Feed Point otherwise use Average
l Feed Point- Use the isentropic coefficient at inlet/feed conditions
l Cp/Cv - Use Cp/Cv ratio with Cv calculated by the property package
l Id Cp/Cv- Use the ideal gas Cp/Cv ratio
flow. The most accurate method is IsenCoefAvg, but it is also the slowest because it requires an additional isen-
tropic flash calculation to compute the necessary properties. The hybrid method seeks to balance accuracy and
performance by using the Cp/Cv ratio to decide when the conditions are near the critical point and IsenCoefAvg
rather than IsenCoefFeed should be used.
Load Current (Button)

Loads the current values for Upstream P, Delta P, and flow into the corresponding variables.
Material Summary
Curves (Tab)
Valve manufacturers provide tabular information for Cv, xT and FL at various % openings. If more accuracy is
required, these curves can be input to the model.
Number Of Points
The number of points on the curves
Use Cv Curve
Use Cv curve data provided
Use xT Curve
Use xT curve data provided
Use FL Curve
Use FL curve data provided
Cv/xT/FL Curves
A table that allows entry of Cv, xT and FL vs. %Opening. The %Opening must start with a 0% point and end
with a 100% point. The values must be in increasing order. If a curve is being used, values must be supplied for
every %Opening.
Summary (Tab) - Flare Tip

Main Data
Valve Type
The valve type is selected as Flare Tip
Inlet Diam / Outlet Diam

Specifies the inlet/outlet nozzle size. The total pressure drop across the reducer/enlarger is reported in the Hol-
dup Feed Nozzle frame.
Delta P
The total pressure drop across the valve. This includes contributions from reducers/enlargers and static head.
Mass Flow
The mass flowrate through the valve.
In Vol Flow
The actual volumetric flow through the valve at inlet conditions.
Equivalent K
The equivalent k value for the flare tip. This value can be specified instead of a Delta P curve.
Flare Tip (Tab)

This tab is seen when the valve type is selected to be Flare Tip. The plot of Pressure drop Vs Flow can be spe-
cified here.
Curve Configuration
Use Flare Tip Curve
This toggles between using the curve and using the Equivalent K specification
Number of Points
The number of points on the curves
Reference MW
Reference Molecular Weight
Reference Temperature
ReferenceTemperature
Flare Tip Curve Data & Plot

A table allows entry of pressure drop Vs Flow data. The values must be in increasing order.
Material (Tab)
Nozzles (Tab)
e.g. a separator
When static head calculations are enabled - nozzle elevation will impact the static head contributions
Unit Op Elevation
Fitting K
from
Diameter
Elevation
Specify one of:
Elevation
Elev. Rel Ground

Elev Percent
Efficiency


Head Calcs)


Kinetic dP
specified.
Velocity
to take place.
Total Pressure
kinetic energy .
Enlarger Angle
Holdup (Tab)
Init From
Summary
Volume
T
value.
P
MoleFraction
Duty
operation.
Elevation
Total Mol Inv

Phase Mol Inv

Total Mass Inv

Phase Mass Inv

Efficiency Type
tillation column.
Holdup Efficiencies
Efficiency Type
performed.
Nozzle Efficiencies
Efficiency Type
Level

Notes (Tab)
Water Dew Point

Water Dew Point
Main Flowsheet
PFD Stencil
Examples Flowsheet Tools\Information Operations\WaterDewPoint.vmp
General
The water dew point operation provides a convenient means to determine the water dew point temperature of a
process stream. The water dew point operation also exposes some of the parameters used by the algorithm
that searches for the water dew point temperature.
By clicking the Schematic / Connection Node you can view a schematic diagram and connections of the Water-
DewPoint.
Summary (Tab)
Main Data
DewPoint
The calculated water dewpoint temperature.
Material
Settings (Tab)
Numerical Settings
StartingT
The initial temperature used by the algorithm that determines the water dew point temperature. In cases where
the water dew point temperature can not be found adjusting StartingT may help the value to be found.
StepT
The maximum temperature step size used that determines the water dew point temperature. In cases where
the water dew point temperature can not be found adjusting StepT may help the value to be found.
KeyCompIdx
The index of the component desired to be used in the search algorithm. By default the KeyCompInd is -1 and
represents water.
PhaseCriteia
The threshold value the search algorithm uses to determine if the key component rich liquid phase has formed.
Equilibrium Results
Water Dew Point Example

The following example illustrates how the WaterDewPoint unit operation can be used to determine the water
dewpoint of a process stream.
Start a new VMGSim project and using the APR for Natural Gas property package add the following com-
pounds: N2, H2S, CO2, C1, C2, C3, iC4, nC4 and Water. Switch the unit set to Field, by clicking the unit set
dropdown which is located near the top, right corner of the VMGSim program view. Create a stream and spe-
cify it as shown in the table below.
Name Process
Temperature (°F) 105
Pressure (psia) 1000
Nitrogen molar flow (lbmol/h) 116.0
CO2 molar flow (lbmol/h) 0.01
H2S molar flow (lbmol/h) 33.5
Methane molar flow (lbmol/h) 3055.0
Ethane molar flow (lbmol/h) 126.0
Propane molar flow (lbmol/h) 62.0
i-Butane molar flow (lbmol/h) 12.0
n-Butane molar flow (lbmol/h) 28.4
Water molar flow (lbmol/h) 0.21
Add a WaterDewPoint operation and connect the Process steam to the In port as shown below.
The WaterDewPoint operation will solve once the Process stream is connected to it and should appear as
below.
It can be seen that the water dew point temperature of the stream is 16.8 F.
Water Dew Point Dynamics

Water Dew Point - Dynamics
Main Flowsheet
PFD Stencil
Examples WaterDewPoint.vmp
General
The water dew point operation provides a convenient means to determine the water dew point temperature of a
process stream. The water dew point operation also exposes some of the parameters used by the algorithm
that searches for the water dew point temperature.
By clicking the Schematic / Connection Node you can view a schematic diagram and connections of the Water-
DewPoint.
Summary (Tab)
Data
Dew Point
The calculated water dew point temperature
Water Phase Criteria

The minimum amount of the selected component (water by default) which must be present in the phase to qual-
ify as the correct phase for the dew point calculation.
Configuration
Props Cycle Time

When the integrator is running, the dew point will be calculated with the specified cycle time. This improves sim-
ulation performance, since the calculation can be compute intensive.
Material
Settings (Tab)
Numerical Settings
StartingT
The initial temperature used by the algorithm that determines the water dew point temperature. In cases where
the water dew point temperature can not be found adjusting StartingT may help the value to be found.
StepT
The maximum temperature step size used that determines the water dew point temperature. In cases where
the water dew point temperature can not be found adjusting StepT may help the value to be found.
KeyCompIdx
The index of the component desired to be used in the search algorithm. By default the KeyCompInd is -1 and
represents water.
Water Phase Criteria

The minimum amount of the selected component (water by default) which must be present in the phase to qual-
ify as the correct phase for the dew point calculation.
Equilibrium Results
XY Curve
XY Curve
Main Flow sheet
PFD Stencil
PFD Icon
Examples Flowsheet Tools\Information Operations\TXY.vmp

Flowsheet Tools\Information Operations\PXY.vmp
General
The XY curve is a graphing utility showing the one-to-two phase boundaries at either constant temperature
(PXY diagram) or pressure (TXY diagram). The XY diagram can also be examined. The XY curve demon-
strates the effect of varying the composition of the key component on the bubble and dew points.
The XY curve operation is useful for examining the behaviour of a binary (two component) mixture and can be
useful for examining if an azeotrope exists.
Note: For a mixture with more than two components the XY curve provides a two-dimensional representation
where the mole fraction of the key component is varied between the lower and upper limits and the molar ratio
of the remaining mixture (that does not contain the key components) is held constant.
Curve Type
Pull down menu to select either a TXY or PXY diagram. A TXY diagram is generated at constant pressure and
a PXY diagram is generated at constant temperature.
Key Compound
Pull down menu that allows the key compound to be selected. The key compound is the compound whose com-
position is going to be varied and will appear on the x-axis of the plot.
Ports
The ports tab contains the information about the input and output ports.
Material Ports
Parameters
The parameters tab contains the information that is used to define the XY curve.
FlashType
Pull down menu that allows the flash type to be selected. The available options are: Bubble, Dew, or Both
(default). The bubble and dew point sides of the curve are always shown. Selecting either bubble or dew as
the flash type changes which variable is being varied by Fr0 and Fr1 (below).
Fr0
The lower bound in the mole fraction of the key component used in generating the XY curve. The default value
is 0.
Fr1
The upper bound in the mole fraction of the key component used in generating the XY curve. The default value
is 1.
NumberOfPoints
The number of points (default 21) in the XY Curve. The points will be equally spaced in the mole fraction of the
key component (Fr1 – Fr0) / (NumberOfPoint – 1).
Equilibrium Results
The equilibrium results are displayed for the port selected in the drop down menu.
Plot
The selection button on the plot tab toggles whether to display the information in tabular or plot (default) format.
If the toggle is set to plot there will be two dropdown menus beside the show toggles.
The first dropdown menu can be used to select the curves shown:
All Curves (default)
XY
TX or PX
The second dropdown menu selects the units for the x-axis:
Mole Fraction (default)
Mass Fraction
Plot Window
to create a zoom window of the desired section. Press the Esc key to unzoom.
Plot Control
Check Boxes
A list of check boxes allows the user to toggle several basic plot window configuration items. For example
switching between a Black & White or Color plot or switching the y axis between a linear or logarithmic scale.
Advanced …
lowing form:
Save As JPG …
This button will bring up a window allowing the plot to be saved as a JPEG image file to a user specified dir-
ectory.
Copy
Print …
This button prints the plot to a user specified location.
XY Curve Examples
This document contains two examples. The first example demonstrates the creation of TXY and XY diagrams
for an n-propanol + water mixture at 101.325 kPa using the NRTL equation. The second example demon-
strates the creation of a PXY diagram for an acetone + chloroform system at 32˚F using the Wilson equation.
TXY Diagram
The creation of a TXY and XY diagram for an n-propanol + water mixture at 101.325 kPa using the NRTL equa-
tion is shown in this example.
Start a new VMGSim case and switch the unit set in the upper right of the window to VMG. Add the NRTL prop-
erty package, with n-propanol and water as the two components.
Now create a XY Curve Unit Operation and in the [In] port connect the Material Stream S1. The XY curve
should solve, the default curve type is TXY and will appear as follows.
Select the Plot tab to view the TXY and XY curves.
Select the dropdown menu with the value of All Curves and select XY from the list to display only the XY dia-
gram.
We are now going to look at the TXY diagram but the resolution on the diagram from before was a little low so
we’ll increase the number of point. Go to the Parameters tab and change the NumberOfPoints from 21 to 51.
The XY diagram will recalculate, if you select the Plot tab without closing the window you will see the XY dia-
gram with more points. Select the dropdown menu with the value of XY and select TX from the list to display
only the TXY diagram.
PXY Diagram
This example demonstrates the creation of a PXY diagram for an acetone + chloroform mixture at 32˚F using
the Wilson equation.
Start a new VMGSim case and switch the unit set in the upper right of the window to Field. Add the Wilson prop-
erty package, with acetone and chloroform as the two components.
Now create a XY Curve Unit Operation and connect the [In] port to the Material Stream S1. The XY curve
should solve, the default curve type is TXY. In this case we select PXY from the drop down menu for Curve
Type in the upper left to show the PXY diagram.
Select the Plot tab to view the PXY and XY curves.
Select the dropdown menu with the value of All Curves and select PX from the list to display only the PXY
diagram. If we were instead interested in chloroform instead of acetone we’d change the key compound to chlo-
roform as shown below.
In addition, if we wanted the x-axis on a mass basis instead of a mole basis. We’d change Mole Fraction beside
PX on the Plot tab to Mass Fraction giving this plot.
Extensions and Links

CAPE-OPEN Unit Operations
CAPE-OPEN Unit Operations
Main Flow sheet
PFD Stencil
Examples Extensions\Stabilizer With ChemSep.vmp
General
VMGSim can run with unit operations that are exposed through the CAPE-OPEN standard. Examples of these
applications are the ChemSep (http://www.chemsep.org/) or COCO simulators (http://www.-
cocosimulator.org/). For more information about CAPE-OPEN visit http://www.colan.org/
At least one CAPE-OPEN aware external program has to be installed in the computer in order to test this func-
tionality. Two options available at no cost is the COCO simulator or the LITE version of the ChemSep distillation
simulator.
The target application being ran is decided at the time the unit operation is added to a flowsheet through the fol-
lowing dialog form,
The options available depend on the unit operations found in the Windows registry. This choice is made only
once and cannot be changed. If the button Cancel is pressed, then an empty CAPE-OPEN unit operation is
added and it must be removed manually.
The variables exposed in the form depend on the type of unit operation selected and have the following layout,
Schematic
By clicking the Schematic / Connection Node you can view a schematic diagram and connections. Inlets on the
left and outlets on the right.
Edit (Button)
The Edit button located at the bottom of the form is the main button to interact with the external program. This
form will open the user interface of the linked application and allows the user to modify the configuration of the
unit operation in its native user interface. VMGSim cannot me modified while the User Interface of the CAPE-
OPEN unit operation is being edited.
Summary (Tab)
Main Data
The variables displayed in this frame are specific to the type of CAPE-OPEN unit operation being used.
Unit Operation Information
Unit OperationType
Type of unit operation as defined in the Registry
Unit Operation Description

Description of the unit operation as defined in the Registry
Material
Shows the connected objects and the In_Material and Out_Material port information. The list of material ports
depends on the type of unit operation.
Report (Tab)
This tab show a list of reports generated by the CAPE-OPEN unit operation. The number of reports and their
contents depend on the type of unit operation.

About (Tab)
This tab displays a more detailed list of values that identify the unit operation being used. This information is dir-
ectly taken from the Windows Registry.
CAPE-OPEN Unit Operation Example

In this example a ChemSep steady state distillation column is used to model a Stabilizer column with C3-C5.
The example uses the LITE version of ChemSep downloaded from http://www.-
chemsep.org/downloads/index.html. The distillation column specifications were taken from the Workshop 7 of
the book "A Real-Time Approach to Process Control" (Svrcek, Mahoney and Young)
This example uses the Advanced Peng Robinson property package with the components PROPANE,
ISOBUTANE, n-BUTANE and ISOPENTANE. The feed is specified as shown below,
Now add a CAPE-OPEN unit operation and select ChemSep as the program (assuming the program was pre-
viously installed),
The form will look empty and the column is ready to be configured in ChemSep,
Clicking the Edit button will open a configuration form from ChemSep,
For this example select the following and click OK,
l Unit Name: Stabilizer

l Operation: Simple Distillation
l # stages: 22
l Units: SI
l Pressure: 700000 N/m2
l Thermo: Cape-Open
* Selecting Thermo as 'Cape-Open' means that the column will use the same thermodynamics engine as
VMGSim
ChemSep should open with a column ready to run. You can inspect the default configuration of the column in
the Operation page,
Before we close the form, go to the Specifications -> Pressures page and change the Column Pressure to 'Bot-
tom & top pressure' and specify a bottom pressure of 720000 (N/m2),
Now go to the Specifications -> Column specs and change the Reflux ratio to 1.0 and the Bottom Specification
of Propane to be of type 'Mole fraction of a component' and set the value to 5.0e-4.
Close the ChemSep form and make sure you click OK when it asks 'Do you want to save the current input in the
Stabilizer',
The CAPE-OPEN form in VMGSim should now display three material ports (Feed, Top Product and Bottom
Product) and a list of new variables including a Profiles tab. Connect the Feed stream and the distillation
column should solve with a mole fraction of 0.0005 of propane in the BottomProduct material port,
Extension Unit Operation

An extension unit operation is a custom unit programmed by the user that runs like any other native unit oper-
ation of the simulator. Besides the calculations, the user can customize the variables used, the PFD icon, the
views and the reporting functionality. The technology to communicate with the unit operation is based on the
COM Automation technology from Microsoft. This means that the code can be written in any programming lan-
guage that can be exposed through COM such as C#, Visual Basic or C++.
In this tutorial we will develop a shortcut distillation unit operation using Visual Basic under the Visual Studio
2013 environment.
At the time of writing, Microsoft offered Visual Studio 2013 Express for Desktop at no cost.
This tutorial may require modification or addition of certain files. The directories will be listed relative to the
installation directory of VMGSim unless indicated otherwise. The default installation directory of VMGSim is,
C:\Program Files (x86)\VMG\VMGSimPkg
Overview of the steps to develop an Extension Unit Operation

Before writing a new unit operation it is always a good idea to have a good plan. This includes a detailed object-
ive of the unit operation, the variables required, the visual layout of the form and the schematics to be used in
Visio and the form itself. The main steps are,
l Configuration File. This is a text file written by the user in XML format. All the identifiers and variables used by
the unit operation are defined in this file.
l User Interface Configuration. This is the step where you get to define the look and feel of your unit operation
including, view layout, Visio icon, schematic.
l Writing the code for the unit operation
In this example, the finished unit operation looks like this,
Basic Configuration of the Unit Operation

The first step when writing an extension unit operation is to create a configuration file to define variables and
other identifiers. This step provides you with a good opportunity to define the requirements and plan the specific
objective of this development.
Configuration File
This is a XML file where the all the variables and external attributes of the unit operation are defined. You can
use any text editor such as Notepad to create this file. Notepad++ is a useful program for text editing with con-
venient tools for XML editing. These files are placed in the directory extensions (create it if not there) under a
sub directory with a specific name for the unit operation.
For this example create a file called shortcutdist_extop.xml and place it in the directory extensions\ShortcutDist.
Unit Operation Identification

Start up a new file and add the following content,
<?xml version="1.0" encoding="UTF-8"?>

<SimConfiguration Version="1.0" Separator="|">
<SimObjects>
<SimObject UnitOpGroup="Distillation" UnitOpID="ShortcutDist" UnitOpDisplay="Short-
cut Distillation">
</SimObject>
</SimObjects>
</SimConfiguration>
Where,
SimObject
Defines an XML node with the description for an entire unit operation.
UnitOpGroup="Distillation"
This is an identifier that conveys grouping for the unit operation and it can be re-used in other extension unit
operations. To choose this name you can either base it on the functional type of the unit operation (Distillation),
your company name (VMG), the industry that it relates to (Refinery). Your choice. This label should not contain
any spaces. It also must be made of only alphanumeric ascii characters (A-Z, a-z, 0-9).
UnitOpID="ShortcutDist"
This is the main identification of the unit operation. You should create a unique one for every unit operation and
it should not conflict with any other unit operation in the simulator including other extensions. Choose a name
that it is also not likely to conflict with unit operations that are developed in future versions of the simulator (e.g.
GasTurbine, Membrane). A good idea to avoid naming conflicts is to include a company or project acronym as
part of the word.
This word should not contain any spaces. It also must be made of only alphanumeric ascii characters (A-Z, a-z,
0-9).
UnitOpDisplay="Shortcut Distillation"
This is a short display name for the unit operation type. This is the main text that you will see displayed around
the simulator. It must be provided but there are no restrictions on the types of characters or length. You may
want to keep it to only a few words, otherwise some reports or features may look too crowded.
A common mistake when writing XML files is to forget to close the nodes with the corresponding “/NodeName”
Unit Operation Variables

The next step is to add variables to the configuration file. For this example we will add the following content,
<?xml version="1.0" encoding="UTF-8"?>
<SimConfiguration Version="1.0" Separator="|">
<SimObjects>
<SimObject UnitOpGroup="Distillation" UnitOpID="ShortcutDist" UnitOpDisplay="Short-
cut Distillation">
<Contents>
<Variable Name="COMProgID" DisplayName="COMProgID">
<DataType>String|Scalar</DataType>
<ReadOnly>False</ReadOnly>
<Default>DistExtension.ShortcutDist</Default>
<VarDesc>COM identification string that can be used
to instantiate the unit operation.</VarDesc>
</Variable>
<Variable Name="CondQ" DisplayName="Condenser Duty">
<DataType>Float</DataType>
<ReadOnly>True</ReadOnly>
<ObjTypeName>Ports.Port_Enegy</ObjTypeName>
<ObjectType>EnergyOutPort</ObjectType>
<VarType>Energy</VarType>
</Variable>
<Variable Name="RebQ" DisplayName="Reboiler Duty">
<ObjectType>EnergyInPort</ObjectType>
</Variable>
<Variable Name="ShellFluid" DisplayName="Shell Side fluid">

<VarDesc></VarDesc>
<Default>Steam</Default>
<Options>Steam|Option2|Option3</Options>
</Variable>
<Variable Name="LightKey" DisplayName="Light Key">

<DataType>String</DataType>
<Default></Default>
<Options>?</Options>
<VarDesc>Light Key Component</VarDesc>
</Variable>
<Variable Name="HeavyKey" DisplayName="Heavy Key">
<DataType>String</DataType>
<Default></Default>
<VarDesc>Heavy Key Component</VarDesc>
</Variable>
<Variable Name="CondP" DisplayName="Condenser Pressure">

<VarType>Pressure</VarType>
<VarDesc>Condenser Pressure (top of the column)</VarDesc>
</Variable>
<Variable Name="RebP" DisplayName="Reboiler Pressure">
<VarType>Pressure</VarType>
<VarDesc>Reboiler Pressure (bottom of the column)</VarDesc>
</Variable>
<Variable Name="LKDistFlow" DisplayName="Light Key Flow at Distillate">

<VarType>MoleFlow</VarType>
<VarDesc>Mole flow of light key coming out of the distillate</VarDesc>
</Variable>
<Variable Name="HKBottFlow" DisplayName="Heavy Key Flow at Bottoms">
<VarType>MoleFlow</VarType>
<VarDesc>Mole flow of heavy key coming out of the bottoms</VarDesc>
</Variable>
<Variable Name="NMin" DisplayName="Minimum number of stages">
<VarType>Generic</VarType>
<VarDesc>Uses Fenske Equation to estimate
Minimum Equilibrium Stages</VarDesc>
</Variable>
<Variable Name="RMin" DisplayName="Minimum reflux ratio">
<VarDesc>Uses Underwood Equation to estimate

Minimum Reflux</VarDesc>
</Variable>
<Variable Name="R" DisplayName="Reflux ratio">
<VarDesc>Actual Reflux Ratio</VarDesc>
</Variable>
<Variable Name="NStages" DisplayName="Actual number of stages">
<VarDesc></VarDesc>
</Variable>
<Variable Name="NTrays" DisplayName="Actual number of trays">
<VarDesc></VarDesc>
</Variable>
<Variable Name="FeedStage" DisplayName="Feed Stage (From Top)">
<VarDesc></VarDesc>
</Variable>
<Variable Name="Feed" DisplayName="Feed">

<ObjectType>MaterialInPort</ObjectType>
</Variable>
<Variable Name="Distillate" DisplayName="Distillate">
<ObjectType>MaterialOutPort</ObjectType>
</Variable>
<Variable Name="Bottoms" DisplayName="Bottoms">
</Variable>
</Contents>
</SimObject>
</SimObjects>
</SimConfiguration>
From the list above, the only variable that must be provided is COMProgID where the default value is set to the
COM identification string required to instantiate the extension object created by the user.
The content of the XML file is designed to operate on the minimum amount of information provided. For
example, if only a Name is provided, it will assume it is a scalar floating point variable with no display name and
no units associated with it.
Configuring Variables
<Variable Name="" DisplayName="">
<DataType></DataType>
<ReadOnly></ReadOnly>
<VarType></VarType>
<VarDesc></VarDesc>
<Default></Default>
<Options></Options>
<DispOptions></DispOptions>
</Variable>
Name
Required. This is the name of the variable. It should only contain alphanumeric characters (A-Z, a-z, 0-9). In
other words, no spaces, “.” or any other special character.
Display Name
Optional. Defaults to the Name. Display name of the variable. No restrictions on characters.
DataType
Optional. Defaults to Float|Scalar. This parameter describes the shape of the variable as two separate attrib-
utes separated by a “|”.
1. * Default is Float
Float. Floating point number
Integer. Integer
Boolean. Boolean variable (0/1)
String. String variable
2. * Default is Scalar
Scalar. Scalar variable
Vector. Vector (1D array)
You can combine any of the two types of data or only use one of them and accept the other default. For
example, a vector of Booleans would be written as,
<DataType>Boolean|Vector</DataType>
ReadOnly
Optional. Defaults to False. If True, then the variable is assumed to be calculated variable and the user cannot
modify it directly. False means that the user can modify it unless the variable has already been calculated by the
unit operation.
VarType
Optional. Defaults to Generic (no units associated). This parameter defines the types of units used by the vari-
able. The most common variable types are (contact VMG support if you what you are looking for is not here),
The list below adds in parenthesis the variable type description and the default units used while coding the
extension unit operation.
The variable types are case sensitive.
l P (Pressure, “kPa”)
l DP (Delta Pressure, “kPa”)
l T (Temperature, “K”)
l DT (Delta Temperature, “K”)
l H (Enthalpy, “kJ/kmol”)
l HMass (Enthalpy, “kJ/kg”)
l Cp (Cp, “kJ/kmolK”)
l CpMass (Cp Mass, “kJ/kgK”)
l Generic (No Units, “”)
l MoleFlow (Molar Flow, “kmol/h”)
l MassFlow (Mass Flow, “kg/h”)
l Moles (Mole amount, “kmol”
l Mass (Mass amount, “kg”)
l Concentration (Molar density, “kmol/m3”)
l molarV (Molar volume, “m3/kmol”) Lower Case m !
l MassDensity (Mass Density, “kg/m3”)
l Volume (Volume, “m3”)
l Time (Time, “s”)
l Fraction (Fraction, “Fraction”)
l Percent (Percent, “Fraction”)
l Length (Length, “m”)
l PipeDiameter (Small Length, “m”)
l Area (Area, “m2”)
l PipeArea (Small Area, “m2”)
l Velocity (Velocity, “m/s”)
l VolumeFlow (Volumetric Flow, “m3/h”)
l Work (Power, “W”)
l Energy (Power / Heat Flow, “W”)
l UA (Heat transfer coefficient * Area, “W/K”)
l HTC (Heat transfer coefficient, “W/m2-K”)
VarDesc
Optional. This is a description of the variable. This description is displayed in the tooltips of the variable as
shown below,
It is a good idea to keep this in mind when writing this description such that the width is not too wide.
Default
Optional. Defaults to unknown value (-12321) for numbers and empty string for text. This is the default value of
the variable.
Options
Optional. This is the list of available options for the variable when the variable is meant to be a pull down. The list
of options are applicable for integers and strings. The list is implemented as items separated by a “|”. For
example,
Would be written in the config file as,

<Options>Linear|EqualPercentage|QuickOpening</Options>
There is a special keyword “?” which means that the list of available options are not known ahead of time. For
example, the shortcut distillation, the list of available options for the light and heavy key are tied to the com-
ponent list which is not known ahead of time. This is the reason why our example has,
The extension unit operation implementation is responsible for providing the list of options and will be further dis-
cussed in a later section.
Configuring Energy Ports

<ReadOnly></ReadOnly>
</Variable>
Energy ports are used for ports meant to be connected to Energy streams.
Energy ports use the same definitions as other variables but require these two extra
lines,
ObjectType
Required. The only accepted values are EnergyOutPort and EnergyInPort depending on the direction of the
energy flow.
Energy ports are also restricted to only two VarType. Energy or Power. The internal units are the same. The
main difference is that the display of British related units will be HorsePower for Power.
Configuring Material Ports

</Variable>
ObjectType
Required. The only accepted values are MaterialOutPort and MaterialInPort depending on the direction of the
material flow.
User Interface Configuration

Define Unit Op Folder
The simulator expects the configuration of extension unit operations to be located in individual folders inside the
extensions subfolder. It is recommended to use the short unique identifier as the name of the subfolder.
Set Up the UI Configuration Tool

The UI configuration tool is used to generate files used by the simulator to bind and customize UI elements. This
utility can be found in, utils\VMGGUIConfig.exe. Before opening the configuration tool the Unit Op Folder needs
to be defined.
Setting up this tool involves selecting the extension unit op subfolder that contains the xml configuration file (i.e.
shortcutdist_extop.xml). The utility will extract the ID and Group from this file. Press the continue button.
Binding to the simulator

Once the unit operation is configured. The next step is to let the simulator know that there is an extension unit
operation available and that it should be added to the list of available units. This is done through a unique ini file
that resides inside the unit op directory.
Use the UI configuration tool to generate the ini file. Go to the Ini File Tab. Define the Default name for new unit
operations and click on Generate INI File
The ini file should contain the following lines.

[DefaultNames]
ShortcutDist = SD
[UnitOperation]
ShortcutDist = Distillation.ShortcutDist()
Where,
ShortcutDist is the Unit Operation ID.

Distillation.ShortcutDist() is built using the Unit Operation Group and Unit Operation ID with a “()” added to the
end of it.
ShortcutDist = SD
Is the default name of the unit operation when a new one is added to the simulator. The program adds a
numeric counter to this name.
The steps from this section allowed us to define a new extension unit operation for VMGSim.
To check everything worked, open VMGSim and change the Tree to display the Complete List of supported unit
operations,
This should extend the list and if you scroll to the bottom you should now see “Shortcut Distillations”(“s” was
appended by VMGSim) as one of the supported units. Click on it to add a new one. You should get something
like this,
At this point you should be able to input values, connect the unit operation, save it, etcetera.
We are still missing,
l A proper form for a better layout of the variables,
l Icons for the form and for PFD,
l The implementation of the unit operation,
l Miscellaneous steps for reporting and Visio tooltips
User Interface of the Unit Operation

Form
The form is laid out with an XML form. The UI configuration tool provides templates and tools to create your
form. In case that a template does not provide the exact desire configuration, the xml file can be manually mod-
ified. For these cases use it is recommended to start from an example of another unit operation with a similar lay-
out and modify from there. In this section we will cover the basic steps starting from a complete form that is
suitable for the shortcut distillation example.
Note: the configuration tool generates files inside the installation folder, it may be necessary to run the utility as
administrator.
Using the UI configuration tool.

1 -Go to the form view tab.
2- Select an icon (optional).
The icon should be an ico file. The icon should be 16x16 4 bit.
Ports and image box
can be resized and
moved with the mouse.
3- Configure the Schematic / Connection Section (optional)
Add ports by clicking the Add button. Port and image boxes can be resized and moved with the mouse.
4- Add tabs with the add tab button. For this form three tabs need to be added: Summary (Horizontal with two
variable groups), Equilibrium Results and Notes.
5-Configure the name and the variables to be displayed in each group. Use ^ to display a horizontal line to sep-
arate sections of the groups.
Click the Generate XML button to create the file in the unit operation folder.
No extra configuration is necessary for the material ports grid, the equilibrium results or the notes control. The
materials ports grid and equilibrium results will display information from all the material ports available.
The file with the definition of the form view should be located inside the Unit Op Folder. VMGSim will process all
the form view files located in this folder. A common mistake is to have several backups of the same file with
extension xml and then not getting and old form view file replacing the most updated one.
Most of the views of VMGSim are defined in the file vmgviews.xml. It is not recommended to modify this file
unless you are comfortable with the format.
<?xml version="1.0" encoding="utf-8" standalone="yes"?>

<Views>
<Images>
<Icons>
<Icon ID="IcoExt-ShortcutDist" DefaultFor="Distillation.ShortcutDist">Exten-
sions\ShortcutDist\Icon\Icon-Tower.ico</Icon>
</Icons>
<Pictures>
<Picture ID="FrmExt-ShortcutDist">Exten-
sions\ShortcutDist\Schematic\ShortCutDist.bmp</Picture>
</Pictures>
</Images>
<Control ID="Distillation.ShortcutDist">
<ControlType>Form</ControlType>
<Width>7500</Width>
<Height>9000</Height>
<ImageID>IcoExt-ShortcutDist</ImageID>
<ContainedControls>
<ControlRef ID="Name" Ref="Name" />
<ControlRef ID="Status" Ref="Status" />
<ControlRef ID="BtnPrint" Ref="BtnPrint" />
<ControlRef ID="IgnoreChk" Ref="IgnoreChk" />
<Control ID="ConnFrame">
<ControlType>Frame</ControlType>
<AnchorRight>60</AnchorRight>
<AnchorLeft>60</AnchorLeft>
<Caption>Schematic / Connections</Caption>
<FontBold>Default</FontBold>
<ForeColor>Default</ForeColor>
<BorderStyle>0</BorderStyle>
<FontSize>8</FontSize>
<BottomOf>Status</BottomOf>
<BottomOfBorder>60</BottomOfBorder>
<AllowResizeWidth>True</AllowResizeWidth>
<AllowResizeHeight>True</AllowResizeHeight>
<ConfigString>AddNode:True;State:Default;NodeDirection:Vertical</ConfigString>
<ContainedControls>
<Control ID="Schematic">
<ImageID>FrmExt-ShortcutDist</ImageID>
<ControlType>PictureBox</ControlType>
<Top>150</Top>
<AnchorTop>150</AnchorTop>
<AnchorBottom>3765</AnchorBottom>
<Left>3015</Left>
<Width>1950</Width>
<FontBold>False</FontBold>
<FontSize>False</FontSize>
</Control>
<Control ID="Bottoms">
<ControlType>VMGConn</ControlType>
<Left>4995</Left>
<Top>3375</Top>
<Width>2610</Width>
<ConfigString>Con-
nShortView:True;ShowLabel:False;LabelAsPath:False;PortPath:Bottoms</ConfigString>
</Control>
<Control ID="Distillate">
<Left>5025</Left>
<Top>870</Top>
<Width>2610</Width>
<ConfigString>Con-
nShortView:True;ShowLabel:False;LabelAsPath:False;PortPath:Distillate</ConfigString>
</Control>
<Control ID="Feed">
<Left>330</Left>
<Top>1830</Top>
<Width>2610</Width>
<ConfigString>Con-
nShortView:True;ShowLabel:False;LabelAsPath:False;PortPath:Feed</ConfigString>
</Control>
</ContainedControls>
</Control>
<ControlRef ID="TabUnitOp" Ref="TabUnitOp" />
<Control ID="Summary0">
<Caption>Summary</Caption>
<ControlType>Tab</ControlType>
<AnchorBottom>120</AnchorBottom>
<AnchorTop>1725</AnchorTop>
<TabStripID>TabUnitOp</TabStripID>
<ContainedControls>
<Control ID="InvFrame">
<Top>60</Top>
<Caption />
<AllowResizeHeight>True</AllowResizeHeight>
<ObjectConfig>
<ResizeHeightWithGrids>True</ResizeHeightWithGrids>
<GridNamesForHeight>VarsGrid_1_Grid|VarsGrid_2_Grid</GridNamesForHeight>
<GridRuleForHeight>Max</GridRuleForHeight>
<GridBorderHeight>400</GridBorderHeight>
</ObjectConfig>
<ContainedControls>
<ControlRef ID="VarsGrid_1_Group" Ref="GenericFrameGridCombo">
<Caption>Main Data</Caption>
<ObjectConfig>
<GridNamesForWidth>VarsGrid_1_Grid</GridNamesForWidth>
<GridNamesForHeight>VarsGrid_1_Grid</GridNamesForHeight>
</ObjectConfig>
<ContainedControls>
<ControlRef ID="VarsGrid_1_Grid" Ref="GenericGrid">
<ObjectConfigRef ID="GenericVarGrid" Ref="GenericVarGrid">
<Variables>LightKey|HeavyKey|^|LKDistFlow|HKBot-
tFlow|^|CondQ|RebQ</Variables>
</ObjectConfigRef>
</ControlRef>
</ControlRef>
<ControlRef ID="VarsGrid_2_Group" Ref="GenericFrameGridCombo">
<Caption>Advanced</Caption>
<RightOf>VarsGrid_1_Group</RightOf>
<RightOfBorder>60</RightOfBorder>
<ObjectConfig>
<GridNamesForWidth>VarsGrid_2_Grid</GridNamesForWidth>
<GridNamesForHeight>VarsGrid_2_Grid</GridNamesForHeight>
</ObjectConfig>
<ContainedControls>
<ControlRef ID="VarsGrid_2_Grid" Ref="GenericGrid">
<ObjectConfigRef ID="GenericVarGrid" Ref="GenericVarGrid">
<Variables>NMin|NTrays|^|RMin|R|^|FeedStage</Variables>
</ObjectConfigRef>
</ControlRef>
</ControlRef>
</Control>
<ControlRef ID="Summary0_MatPortsSummaryFrame" Ref="SSMatSummaryFrame">
<BottomOf>InvFrame</BottomOf>
</ControlRef>
</Control>
<ControlRef ID="EquilibResultsTab" Ref="EquilibResultsTab" />
<ControlRef ID="NotesTab" Ref="NotesTab" />
</Control>
</Views>
The form above renders the shortcut distillation as follows,
PFD Shape
VMGSim uses the diagraming tool Microsoft Visio ® as its PFD engine. VMGSim loads all the stencils (vss) loc-
ated inside the extensions Folder. The ui configuration tool helps in generating the stencils with the configured
master shapes.
Using the UI configuration tool.

1 - Go to the PFD Shape tab
2 - The default for target file is usually fine. Target file contains the path of the stencil to be created or modified.
3 - Specify the name for the PFD Shape. It will be the name displayed in the stencil.
4 - Select the creation mode. The shape can be created from
1. An existing image. The image will be imported into the PFD Shape.
2. From an existing shape in a Visio file. The Visio file should contain only one shape.
3. Reconfigure existing shape in the target stencil. In this mode, the previous ports are removed and the ports
defined in the configuration section are added.
5 - Specify the image or the Visio file with the desired shape.
6 - Configure the ports. Add as many material and energy ports. Specify their Name, Type and Location.
The configuration above produces following stencil with one shape.
Note: If the ports are not completely aligned with the arrows in the image. Adjust the position in the ports con-
figuration section and use the Reconfigure existing mode to update this shape.
One stencil for each unit operation works fine for a few unit operations. In cases where this is unmanageable, all
the stencils of different unit operations can be manually consolidated into one stencil.
These are the UI files that are should located inside the Unit Op Folder
Reporting
The configuration of the Reporting items is defined in an xml file. The file should be named as follows: “Report-
ingConfig_” + “short unique identifier” (i.e. ReportingConfig_ShortcutDist.xml). The file should be located
inside the unit operation folder.
The object type of the unit operation should be declared in the second line of the file. The file s
The reporting file contains the following three sections.

l SummaryEquipment Defines default variables shown when creating a summary set.
l ToolTips Defines variables displayed on tooltips
l DataSheet Defines variables used when creating a PFD Datasheet.
Each section contains two variable sets.
l SSDefault used for when the unit operation is in steady state
l DYNDefault used when the unit operation is in dynamics.
Variables are grouped in varsets. The display behavior can be customizer per variable. The configuration con-
sists of
l DisplayName. Display name for the variable when used in the defined environment. (i.e. the display name of the
variable “Feed.In.T” can be “Inlet Temperature”)
l DisplayUnits. Forces the rendering the of a value in a specific unit. (i.e. the variable “Feed.In.T” can be forced to
be displayed in “C” regardless of the active unit set)
l Displayformat. Forces a number format. (i.e. use “0.0” to display a value with one decimal place.
Unit Operation Implementation (Source Code)

The unit operation should be exposed as a COM object that implements at least a Solve function. In this section
we describe the steady state interface. The code is written in Visual Basic using Visual Studio 2013 Express for
Desktop.
At the time of writing, this software was available for download from Microsoft’s website,
http://www.visualstudio.com/downloads/download-visual-studio-vs#d-express-windows-desktop
Open Visual Studio and create a new project of type Class Library under Visual Basic and call it DistExtension
To make the class library COM aware and also define some special settings go to the project properties,
In the Compile tab check Register for COM Interop and make sure the target is specific for x86 (32 bit)
In the Debug tab select “Enable native code debugging”,
The next step is to choose VMGExtension.dll as a reference. In the References tab click on Add… and in the
COM section select VMGExtension. Make sure the check box for the reference is selected and press OK
Once you select the reference, your list of reference should look as follows,
We can start writing code now. Rename the default file Class1.vb to ShortcutDist.vb and accept the changes to
references,
Create a new class in a file called UnderwoodSolver.vb
The code for ShortcutDist.vb is listed below,

Option Explicit On
Imports VMGExtension
Imports System.Math
Public Class ShortcutDist
Const VMGUNK_VAL As Double = -12321

Dim myExtOp As VMGExtOp
Public Sub SetDataFromRecall(ByVal info As String)

'... Pass recall information as a string
On Error GoTo localErr
Exit Sub
localErr:
Exit Sub
End Sub
Public Function GetDataToStore() As String

'... Get any information required to store along with the unit operation
GetDataToStore = vbNull
End Function
Public Sub SetExtnOpInterface(ByVal op As VMGExtOp)

'... Method to set the interface to the extension unit operation
'this is the interface that exposes the variables carried by the unit
myExtOp = op
End Sub
Public Sub CleanUp()

'... Do any clean up that may be required
End Sub
Public Sub Forget()

'... Method called when the unit operation is in the forget pass
End Sub
Public Sub Solve()
'... Solve pass
'Reference:
'Separation Proces Principles. Seader, Henley
'Chapter 9
Dim op As VMGExtOp
op = myExtOp
'... Must have components

Dim nc As Long
If op.ThermoCase Is Nothing Then
Call op.SetStatusMessage("Missing property package", eExtStatusType.eInfo)
Exit Sub
End If
nc = op.ThermoCase.CompoundCount
If nc < 2 Then
Call op.SetStatusMessage("Requires at least two components",
eExtStatusType.eInfo)
Exit Sub
End If
'... Utility for numerical calculations

Dim numUtil As VMGExtNumUtil
numUtil = op.NumericLibrary
'... Grab the thermodynamic object

Dim th As VMGExtThermoCase
th = op.ThermoCase
'... Material ports

Dim Feed As VMGExtension.VMGExtPortMaterial
Dim Distillate As VMGExtension.VMGExtPortMaterial
Dim Bottoms As VMGExtension.VMGExtPortMaterial
Feed = op.MaterialPort("Feed")
Distillate = op.MaterialPort("Distillate")
Bottoms = op.MaterialPort("Bottoms")
'... Flash feed

Call Feed.Flash()
'... Grab feed composition

Dim xFeed
If Not Feed.Fraction.Known Then
Call op.SetStatusMessage("Missing feed composition", eExtStatusType.eInfo)
Exit Sub
End If
xFeed = Feed.Fraction.Values
'... Grab feed conditions

Dim moleFlowFeed As Double
moleFlowFeed = Feed.MoleFlow.Value
If moleFlowFeed = VMGUNK_VAL Then
Call op.SetStatusMessage("Missing feed flow", eExtStatusType.eInfo)
Exit Sub
End If
Dim moleFlowsFeed
moleFlowsFeed = Feed.MoleFlows.Values
'... Grab the feed fluid with all the phase values
Dim fluidFeed As VMGExtFluid
fluidFeed = Feed.Fluid
If fluidFeed Is Nothing Then
Call op.SetStatusMessage("Feed should be fully specified",
Exit Sub
End If
'... Grab the keys

Dim lk As String
Dim hk As String
Dim lkIdx As Long
Dim hkIdx As Long
lk = op.Variable("LightKey").Value
hk = op.Variable("HeavyKey").Value
lkIdx = op.ThermoCase.CompoundIndex(lk)
If lkIdx < 0 Then
Call op.SetStatusMessage("Missing light key", eExtStatusType.eInfo)
Exit Sub
End If
hkIdx = op.ThermoCase.CompoundIndex(hk)
If hkIdx < 0 Then
Call op.SetStatusMessage("Missing heavy key", eExtStatusType.eInfo)
Exit Sub
End If
'... Validate the choice of K values

Dim KFeed
Dim lkK As Double
Dim hkK As Double

Dim alpha_lk_hk_Feed As Double
KFeed = fluidFeed.Bulk.K.Values
lkK = KFeed(lkIdx)
hkK = KFeed(hkIdx)
If lkK <= hkK Then
Call op.SetStatusMessage("Light Key (K = " & Format(lkK, ".##") & ") should
be more volatile than Heavy Key (K = " & Format(hkK, ".##") & ")", eExtStatusType.eEr-
ror)
Exit Sub
End If
alpha_lk_hk_Feed = lkK / hkK
'... Grab the key specifications

Dim lkFlowAtDist As Double
Dim hkFlowAtBott As Double
lkFlowAtDist = op.Variable("LKDistFlow").Value 'kmol/h
If lkFlowAtDist = VMGUNK_VAL Then
Call op.SetStatusMessage("Missing light key specification",
Exit Sub
End If
hkFlowAtBott = op.Variable("HKBottFlow").Value 'kmol/h
If hkFlowAtBott = VMGUNK_VAL Then
Call op.SetStatusMessage("Missing heavy key specification",
Exit Sub
End If
'... Grab outlet pressures

Dim pDist As Double
Dim pBott As Double
pDist = Distillate.P.Value
pBott = Bottoms.P.Value
If pDist = VMGUNK_VAL Then

Call op.SetStatusMessage("Missing distillate pressure", eExtStatusType.eInfo)
Exit Sub
End If
If pBott = VMGUNK_VAL Then

Call op.SetStatusMessage("Missing bottoms pressure", eExtStatusType.eInfo)
Exit Sub
End If
'... Estimate flows for distillate and bottoms

Dim i As Long
Dim moleFlowsDist
Dim moleFlowsBott
ReDim moleFlowsDist(nc - 1)
ReDim moleFlowsBott(nc - 1)
'... Lights go to distillate, heavy to bottoms and in between split by half
For i = 0 To nc - 1
If i = lkIdx Then
moleFlowsDist(i) = lkFlowAtDist
moleFlowsBott(i) = moleFlowsFeed(i) - lkFlowAtDist
ElseIf i = hkIdx Then

moleFlowsDist(i) = moleFlowsFeed(i) - hkFlowAtBott
moleFlowsBott(i) = hkFlowAtBott
ElseIf KFeed(i) >= KFeed(lkIdx) Then

moleFlowsDist(i) = moleFlowsFeed(i)
moleFlowsBott(i) = 0.0#
ElseIf KFeed(i) <= KFeed(hkIdx) Then

moleFlowsDist(i) = 0.0#
moleFlowsBott(i) = moleFlowsFeed(i)
Else
moleFlowsDist(i) = moleFlowsFeed(i) / 2.0#
moleFlowsBott(i) = moleFlowsFeed(i) / 2.0#
End If
Next i
'... normalize the flows

Dim xDist
Dim xBott
xDist = numUtil.Normalize(moleFlowsDist)
xBott = numUtil.Normalize(moleFlowsBott)
'... estimate condenser T and H with a bubble point flash

Dim calcProps '... properties to calculate
Dim specVars '... flash prop name specifications
Dim specVals '... flash prop value specifications
'... Properties that the flash should calculate

calcProps = {th.Consts.T_VAR, th.Consts.H_VAR}
'... specify vap fraction of 0 and pressure

specVars = {th.Consts.VPFRAC_VAR, th.Consts.P_VAR}
specVals = {0.0#, pDist}
Dim distEqResults As VMGExtFlashResults

distEqResults = th.Flash(xDist, specVars, specVals, calcProps)
Dim KDist
KDist = distEqResults.K
'... Same for reboiler

specVals = {0.0#, pBott}
Dim bottEqResults As VMGExtFlashResults

bottEqResults = th.Flash(xBott, specVars, specVals, calcProps)
Dim KBott
KBott = bottEqResults.K
'... Calculate volatilities

Dim alpha_lk_hk_Dist As Double
alpha_lk_hk_Dist = KDist(lkIdx) / KDist(hkIdx)
Dim alpha_lk_hk_Bott As Double

alpha_lk_hk_Bott = KBott(lkIdx) / KBott(hkIdx)
'... Use this style for the average

Dim alpha_m As Double
alpha_m = (alpha_lk_hk_Dist * alpha_lk_hk_Bott) ^ 0.5
'... Min number of stages

Dim NMin As Double
NMin = Log10((xDist(lkIdx) / xDist(hkIdx)) * (xBott(hkIdx) / xBott(lkIdx))) /
Log10(alpha_m)
op.Variable("NMin").Value = NMin
Dim refIdx As Long

refIdx = hkIdx
Dim alpha_i_ref_Dist() As Double

Dim alpha_i_ref_Bott() As Double
Dim alpha_i_ref_Feed() As Double
ReDim alpha_i_ref_Dist(UBound(KFeed))
ReDim alpha_i_ref_Bott(UBound(KBott))
ReDim alpha_i_ref_Feed(UBound(KFeed))
For i = 0 To UBound(KFeed)
alpha_i_ref_Dist(i) = KDist(i) / KDist(refIdx)
alpha_i_ref_Bott(i) = KBott(i) / KBott(refIdx)
alpha_i_ref_Feed(i) = KFeed(i) / KFeed(refIdx)
Next i
'... Assign outlet ports

Dim D As Double
Dim B As Double
D = numUtil.SumArray(moleFlowsDist)
B = numUtil.SumArray(moleFlowsBott)
Distillate.T.Value = distEqResults.T
Distillate.MoleFlow.Value = D
Distillate.Fraction.Values = xDist
Distillate.Flash()
Bottoms.T.Value = bottEqResults.T
Bottoms.MoleFlow.Value = B
Bottoms.Fraction.Values = xBott
Bottoms.Flash()
'... Liquid mole fraction in the feed

Dim Q As Double
Q = 1.0# - Feed.VapFrac.Value
Dim solver As UnderwoodSolver

solver = New UnderwoodSolver
Call solver.Intialize(op, xFeed, alpha_i_ref_Feed, Q)
Dim theta As Double
theta = solver.SolveBetweenBounds(alpha_i_ref_Feed(lkIdx), alpha_i_ref_Feed
(hkIdx))
Dim RMin As Double

RMin = -1.0#
For i = 0 To nc - 1
RMin = RMin + alpha_i_ref_Feed(i) * xDist(i) / (alpha_i_ref_Feed(i) - theta)
Next i
op.Variable("RMin").Value = RMin
Dim R As Double
R = op.Variable("R").Value
If R = VMGUNK_VAL Then
Call op.SetStatusMessage("Missing reflux ratio specification",
Exit Sub
End If
If R <= RMin Then

Call op.SetStatusMessage("Reflux ratio should be greater than the minimum
reflux", eExtStatusType.eError)
Exit Sub
End If
Dim X As Double
Dim Y As Double
Dim N As Double
X = (R - RMin) / (R + 1.0#)
Y = 1 - Exp(((1.0# + 54.4 * X) / (11.0# + 117.2 * X)) * ((X - 1.0#) / X ^ 0.5))
N = (NMin + Y) / (1.0# - Y)
op.Variable("NStages").Value = N
op.Variable("NTrays").Value = N - 1
'... Kirkbride for feed location

Dim NR_NS As Double '... Stage sections ratio
Dim NS As Double '... Stripping stages
Dim NR As Double '... Rectifying stages
NR_NS = ((moleFlowsFeed(hkIdx) / moleFlowsFeed(lkIdx)) * (xBott(lkIdx) / xDist
(hkIdx)) ^ 2 * (B / D)) ^ 0.206
NS = N / (NR_NS + 1.0#)
NR = N - NS
op.Variable("FeedStage").Value = NR
Dim L As Double
L = R * D
'... Energy balance
'... Distillate
'... enthalpy at bubble point (already calculated)
Dim hDistBubPt As Double
hDistBubPt = distEqResults.BulkProperties(1) '... enthalpy was requested as the
second prop
'... enthalpy at dew point

Dim distDewEqResults As VMGExtFlashResults
specVals = {1.0#, pDist}
distDewEqResults = th.Flash(xDist, specVars, specVals, calcProps)
Dim hDistDewPt As Double

hDistDewPt = distDewEqResults.BulkProperties(1) '... enthalpy was requested as
the second prop
Dim condQ_kJ_h As Double

Dim condQ As Double
condQ_kJ_h = (hDistDewPt - hDistBubPt) * L 'kJ/h
condQ = condQ_kJ_h / 3.6 'W
'... Reboiler just from overall balance

Dim fQ As Double
Dim dQ As Double
Dim bQ As Double
fQ = Feed.Q.Value 'W
dQ = Distillate.Q.Value 'W
bQ = Bottoms.Q.Value 'W
Dim rebQ As Double

rebQ = -fQ + dQ + bQ + condQ 'W
op.Variable("RebQ").Value = rebQ
op.Variable("CondQ").Value = condQ
Exit Sub
localErr:
On Error Resume Next
Call op.SetStatusMessage("Error while solving shortcut distillation " & Err.De-
scription, eExtStatusType.eError)
If False Then
Resume
End If
End Sub
Private Function Log10(ByVal val As Double) As Double

Log10 = Log(val) / Log(10)
End Function
Public Function OptionsForVariable(ByVal name As String)

'... Will call this function ever time it needs to access the options of a vari-
able to be displayed
'in a combo box
Dim op As VMGExtOp
op = myExtOp
If name = "LightKey" Then

OptionsForVariable = op.ThermoCase.CompoundNames
ElseIf name = "HeavyKey" Then
OptionsForVariable = op.ThermoCase.CompoundNames
Else
OptionsForVariable = vbNull
End If
Exit Function
localErr:
Exit Function
End Function
End Class
The code for UnderwoodSolver.vb is listed below,

Option Explicit On
Imports VMGExtension
Public Class UnderwoodSolver
Dim myComposition
Dim myAlpha
Dim myLiqPhFraction As Double
Dim myEps As Double
Dim myOp As VMGExtOp
Public Sub Intialize(ByVal op As VMGExtOp, ByVal composition As Object, ByVal alpha

() As Double, ByVal liqPhFraction As Double)
'... Set the main variables that will be used when solving for theta
myComposition = composition
myAlpha = alpha
myLiqPhFraction = liqPhFraction
myEps = 0.000000000001
myOp = op
End Sub
Public Function SolveBetweenBounds(ByVal alpha1 As Double, ByVal alpha2 As Double)

'... Solve for theta based bounded by two alpha values
Dim b1 As Double
Dim b2 As Double
'Move boundaries by a trace to avoid division by zero

b1 = alpha1
b2 = alpha2
If b1 < b2 Then
b1 = b1 + myEps
b2 = b2 - myEps
Else
b2 = b2 + myEps
b1 = b1 - myEps
End If
Dim theta As Double

theta = myOp.NumericLibrary.FindRootBetweenBounds(Me, b1, b2)
SolveBetweenBounds = theta
End Function
Public Function TargetFunction(ByVal theta As Double) As Double

Dim retVal As Double
Dim i As Long
retVal = 0.0#
For i = 0 To UBound(myComposition)
retVal = retVal + (myAlpha(i) * myComposition(i)) / (myAlpha(i) - theta)
Next i
retVal = retVal - 1.0# + myLiqPhFraction
TargetFunction = retVal
End Function
End Class
After this code is in place, you can now build the extension unit operation.
Running the Unit Operation

We have everything we need to solve the unit operation. One of the most important things to check is that in the
Variable from the config file,
<Variable Name="COMProgID" DisplayName="COMProgID">
<VarDesc>COM identification string that can be used
to instantiate the unit operation.</VarDesc>
</Variable>
The parameter,
Must match exactly the name of the VS project and the name of the class that implements the Solve method.
Open VMGSim and add Advanced Peng Robinson with the following components,
Add a feed stream with the following specifications,
The shortcut distillation requires a heavy key, light key with their respective specifications. It then requires a
pressure for the top and bottoms and a reflux ratio. This reflux ratio is commonly chose after the minimum reflux
ratio is known. For this example use the following specifications,
To debug the source code you can go to DEBUG -> Attach to Process and look for the process of the simulator
You should now be able to hit breakpoints.
In the current version of Visual Studio 2013 there seems to be a problem the first time you use it in which the
code will not stop at the breakpoints. To fix it, just click on Select … when attaching to process and select Native
code. This is actually the default option but seems to require a forced selction.
ProTreat Link
ProTreat Link
Main Flow sheet
PFD Stencil
Examples Extensions and Links\ProTreat\High Pressure MDEA Loop-Con-

nected.vmp
General
VMGSim can link to the ProTreat® software developed by the company Optimized Gas Treating (http://www.o-
gtrt.com/). The ProTreat simulator models rigorous rate-based mass transfer with a focus in gas treating. It sup-
ports a wide variety of solvents including proprietary ones such as INEOS GAS/SPEC, SELEXOL (TM) and
Genosorb®.
The ProTreat Link unit operation allows for seamless integration of a ProTreat model inside a VMGSim case;
material information is transferred between programs live as model conditions change.
The link requires at least ProTreat version 5.5 and a special license option for the program. Contact your local
representative from Optimized Gas Treating for access to this license and for more information on the install-
ation.
Below is the ProTreat link form after the unit operation is first added.
Schematic
By clicking the Schematic / Connection Node you can view a schematic diagram and connections. Inlets on the
left and outlets on the right.
ProTreat Link
This frame is used to interact directly with the ProTreat model.
Linking to a ProTreat Model

The following is the layout of the frame when a link with ProTreat has not been established.
Select File...
Link to an existing ProTreat model by selecting its Input/Results file (*.ptd or*.ptr). This action will load ProTreat
if this is the first time the unit operation is linked. The selected file will be opened in ProTreat and the link to the
model will be established.
New File
Link to a blank (new) ProTreat model. This button is only visible when the unit operation has not been linked to
ProTreat. ProTreat will be loaded and the link to the new model will be established.
File Management
The original ProTreat file is saved to a temporary location when the link is established. This temporary location
holds the working version of the ProTreat model while the link runs, including all files generated by ProTreat
(*.ptr, *.ptd, *.log).
The Save function in VMGSim automatically incorporates all active ProTreat files in the VMGSim case file
(*.vmp). These files can be extracted by changing the extension of the saved VMGSim case from ".vmp" to
".zip" and extracting the contents.
Modifying the ProTreat Model

The ProTreat Link frame will change to this layout after the link is established.
The ProTreat model can be modified directly in the linked ProTreat user interface by clicking "Show ProTreat".
It is not possible to edit the linked model from a standalone instance of ProTreat. Changing the model in a stan-
dalone instance will mean that the link will have to be established again by explicitly linking to the modified file.
Show ProTreat
This button makes the ProTreat user interface visible.
The ProTreat Link frame will change to this layout when ProTreat is visible.
Refresh
This button will force the link to resolve: run the ProTreat model with inlet port specifications and update outlet
ports. This is only necessary after the ProTreat model is modified directly in the linked ProTreat user interface.
Changes to the VMGSim model will automatically trigger the link to resolve.
Hide ProTreat
This button hides the ProTreat user interface.
Summary (Tab)
Feeds / Products
These frames define mapping between VMGSim streams and streams in the linked ProTreat flowsheet.
The ProTreat Inlet and ProTreat Outlet pull down menu options are populated live based on the linked ProTreat
flowsheet. A second column to select the VMGSim stream to map to will appear after a ProTreat stream is
selected.
The image belows shows a fully specified link and how the streams communicate with each other.
The link will transfer specs from inlet ports to ProTreat and run ProTreat as soon as the first feed is successfully
linked.
The component lists between programs will be reconciled and warnings will be raised if there is a mass balance
discrepancy caused by component lists not matching.
Material
Shows the connected objects and the In_Material and Out_Material port information. The list of material ports
depends on the number of linked ports.
Stream Summary (Tab)

This tab displays the main properties for all the streams in the ProTreat simulation including the component list
defined there which may not include the same components as VMGSim and may not be in the same order.
Link Summary (Tab)

This tab compares properties of the VMGSim material ports with their linked ProTreat material streams.
The component list displays the mapping of components between programs.
A "<Not Supported>" label indicates that an equivalent for the component does not exist in the simulator. A
"<Missing>" label indicates that the component is supported but has not been added to the flowsheet.

Settings (Tab)
Numerical Settings
Link Tolerance
Relative tolerance applied to the transfer of P, T, and mole flow across the link.
The link will resolve automatically when a VMGSim inlet port change is above the scaled tolerance.
A warning will be given when the amount of flow lost across the link (due to component lists not matching) is
above the scaled tolerance.
ProTreat App Settings
Always Show Dashboard

Select this option to make the ProTreat dashboard visible while the ProTreat model is running and the ProTreat
user interface is hidden.
When the ProTreat user interfac e is visible, the dashboard will be visible unless this setting is changed in the
ProTreat user interface.
ProTreat Example
In this example we will link to the High Pressure MDEA Loop.ptd simulation case distributed with ProTreat.
For this example, start with a simulation case with the APR for Natural Gas 2 property package with the fol-
lowing component list,
Now add three material streams named, Sour_Gas for the feed to ProTreat and Sweet_Gas, Acid_Gas and
Flash_Gas for the products,
Now specify the Sour_Gas stream as shown below,
The next step is to add a ProTreat link unit operation and link the case to the ProTreat file found in,
Documentation\VMGSim\ManualExamples\Extensions\ProTreat\high pressure mdea loop - link test.ptd
This will link to the above case which you can inspect in the ProTreat user interface (click Show ProTreat if hid-
den),
ProTreat will start solving as soon as the Sour_Gas stream in VMGSim is linked to the Sour Gas [1] inlet in
ProTreat.
The calculated values will be transferred back to VMGSim once the Products are linked.
Economics
VMGSim Economics
Capital expenditure and operating cost can reveal clear advantage in otherwise alternative but equivalent pro-
cess configurations. VMGSim includes the option to estimate unit operation focused capital cost and, where
appropriate, operating expenditure resulting from energy consumption. At the flow sheet level capital con-
tingency, direct and indirect expenses and revenue streams can be configured and collated to generate a pro-
forma income statement. The income statement can be customized and form a basis to aid refinement or
rejection of process configurations at an early design stage
Examples DpGasPlant(Econ).vmp
Capital Expenditure Estimation

VMGSim presents the capital cost on an on-site installed basis. The installed cost is inclusive of transport, install-
ation and instrumentation and is several times greater than the purchase price. VMGSim offers two methods to
estimate the capital cost of individual units:
1. Ulrich Method
Unit operations, where appropriate correlations are available, will generate a capital cost based on process con-
ditions. The cost of the unit is generated by an algorithm based on the correlations published by Ulrich and Vas-
udevani. Pressure, power, duty, process flow rates are examples of variables available in solved VMGSim unit
operations that are correlated to an equipment cost. Volume, dimension, area, material and equipment type are
examples of additional variables that are configured or calculated within the VMGSim economics environment
where required. Factors are generated to attain an estimated installed cost of the specified unit operation at cur-
rent rates.
(1) The Ulrich cost estimation option is selected. (2) Additional information is needed to estimate a capital cost
in the case of a heat exchanger. The UA value is calculated outside of the economics environment but a heat
transfer coefficient is required to calculate the tube area which is a key variable in costing. The heat transfer
coefficient can be specified or imported from the VMGSim Rating option. (3) In order to select the appropriate
algorithm the type of heat exchanger is selected from a drop down list. (4) The algorithm then calculates a free-
on-board factory base cost excluding process conditions. (5) Material and pressure information is used to gen-
erate scaling factors. (6) An escalation factor is developed from the Chemical Engineering Plant Cost Index. (7)
The estimated current installed cost of the unit is presented. The Ulrich capital cost method is limited to appro-
priate process conditions and unit sizes and VMGSim will not extrapolate beyond these ranges.
2. User Defined
All unit operations in VMGSim have the option to estimate a user defined installed cost. This option is appro-
priate when a cost is known or estimated. An installed cost for the unit can be entered directly or scaled. If a
known cost is an installed cost, an installed cost for a similar unit of a different size, a free-on-board cost or a
free-on-board cost of a different size the installed cost can be estimated within the economics environment.
Example: Compressor
A process engineer knows that an existing compressor purchased in 2010 with a design shaft power of 0.8MW
had a factory gate invoice for $800,000.
(1)The User defined cost basis is selected. (2) The free-on-board unscaled cost option is selected as the appro-
priate known cost. (3) The known cost is entered. (4) The unit is to be scaled on the basis of shaft Power and (5)
the design basis for the existing compressor, of known cost, is entered. (6) A scaling factor is calculated from
the relative size of the compressors according to the equation:
Where and are constants that default to 1 and 0.6 respectively. (7) The Lang Factor defaults to 4.74 as a
general constant to account for transportation, instrumentation and installation. Process and unit operation
specific factors are available in literature. (8) The escalation in capital cost due to inflation is accounted for by
entering the basis year and selecting an escalation index. (9) The installed cost of the unit is presented.
The capital cost of all the unit operations in a flowsheet is collected in the Economics Summary form. The Eco-
nomics Summary form can be opened by selecting Economic Summary… in the unit form or via the button:
All units with configured cost estimates are listed (1) and summarized by unit type (2). The units can be organ-
ised (3) and sub totals by category displayed (4). The capital expenditure associated with the sum of all con-
figured units is totaled (5).
Operating Expenditure Estimation

VMGSim calculates the duty associated with process units depending on their operating condition. In the eco-
nomics environment this duty will form the basis to calculate the direct operating cost based on power con-
sumption. To calculate an operating cost from a duty it is necessary to define the rates. This is done globally in
the Economics Summary form.
There are 3 general categories for sources of energy: Fuel, Electricity and Steam. To define a basis for an oper-
ating cost enter the unit rate (1) and select the unit (2). For fuels it is necessary to know the composition, there-
fore, a reference stream is selected (3). The fuel list can be expanded by entering a new name (4).
In the unit operation form the defined energy source can be selected.
Example: Compressor
(1) Select Operating Analysis to calculate the power cost. The operating cost for power con-
sumption is optional to ensure that the cost is not accounted for elsewhere. For example, if the com-
pressor where driven by steam the steam engine may or may not be modelled elsewhere in the
flow sheet. (2) The energy source is selected from the list configured in the Economic Summary
Form. (3) Efficiencies are specified for the engine and unit downtime and the fuel consumption cal-
culated. (4) The energy Rate on an annual basis is displayed. The operating cost calculated at the
unit level is collected alongside capital cost in the Economic Summary form:
Income Statement
The unit level data can be collated in an income statement generated by VMGSim. To prepare the
final flowsheet level data the products and feedstock can be defined in the Sales tab of the Eco-
nomic Summary form. For Example:
(1) Product names can be entered and associated with streams (2). (3) The rate is specified along
with the unit (4) and the Annual revenue is calculated. Any feedstock or consumables can be con-
figured in a similar way (4).
(5) The Income statement button will trigger the generation of a generalised income statement
based on the economic configuration in the flowsheet.
Assumptions are highlighted and are customisable. The data is written to a process calculator and
can be amended with alternative formulae, categories or entries. The cells containing numerical
data are ordinary VMGSim variables with paths that can be linked to other variables or used in a
Case Study. The general Income statement estimates a rate of return for the flowsheet.
1. Ulrich Gael D. and Vausudevan Palligarnai T. (2004), Chemical Engineering Process Design
and Economics: A Practical Guide, 2nd ed., Process Publishing, Durham, New Hampshire.
Emissions
Emissions
Examples Emissions\EmissionsWithVMGSim.vmp
Emissions\TankEmissions.vmp
Emissions with VMGSim

In the past, process engineers had two primary concerns when optimizing plant design and operation: meeting
product specifications and making it the most economically viable as possible. With an increased amount of
environmental regulatory rules in recent years to the operation of upstream / downstream facilities, it is no
longer possible to focus all resources on only product specifications and operating costs. Air quality permitting
and regulatory compliance should be considered in order to avoid issues obtaining construction permits
(Kennard and Addington, 2015).
With VMGSim, it is possible to estimate emission losses from vents (flash emissions) or storage tanks (tank
emissions).
Flash emissions are available in Material Streams and represent the flow of gases that are vented into the atmo-
sphere. These emissions occur when vapor is released from a fluid as a result of a pressure drop, and the vapor
is allowed to escape to the atmosphere. An example of these emissions occurring are during the transfer of flu-
ids from a separator to a storage tank.
Tank emissions are available in Separators (storage tanks) and represent the material losses from liquid stor-
age tanks that occur during storage, filling and emptying operations. Breathing losses which occur as a result of
vapor space breathing in the storage tank, as changes in atmospheric conditions cause the vapor in the tank to
expand and contract. Working losses occur during tank filling or emptying operations, as liquid clings to the
exposed surface area in the tank and eventually evaporates.
Loading emissions are also available in Separators (storage tanks) and represent the vapors released in the
atmosphere as liquid from storage tanks is loaded into cargo tanks. This is the primary source of emissions from
ground transportation of petroleum liquids. Loading losses are a mixture of: evaporation of previous loads that
has been leftover in the "empty" cargo tank, vapors transferred to the tank from vapor balance systems during
unloading, and vapors generated in the tank while the new liquid is being loaded.
Emissions can be reported in two different ways: component groups and CO2 equivalence. By using com-
ponent groups, each pollutant is assigned into one or many groups which can then be individually filtered in
emission results. This can be useful in industry practice because different pollutant groups can have varying per-
mitting levels assigned by the regulating body. The second option, CO2 equivalence, allows emissions to be
quantified around a single number which makes it easy to compare bundles of greenhouse gases with each
other (Brander, 2012).
Emissions (All Pollutants)

Component Groups
Pollutants are divided into individual groups which may used to filter emission results.
HAPs
Hazardous Air Pollutants or HAPs are pollutants that cause or may cause serious health effects or adverse
environmental and ecological effects as defined by the US Environmental Protection Agency (EPA). The com-
ponents in this category originate from the Clean Air Act Amendments of 1990 List of Hazardous Air Pollutants
(EPA, 2015).
VOCs
Volatile Organic Compounds or VOCs are any organic compounds with an initial boiling point less than or equal
to 250C measured at a standard atmospheric pressure of 101.3 kPa. Components that meet this criteria but
are not considered VOCs are excluded from this group as described in Chapter 1, Title 40 CFR (EPA, 2013).
GHGs
Greenhouse Gases or GHGs include carbon dioxide, methane, nitrous oxide, hydrofluorocarbons, per-
fluorocarbons, sulfur hexafluoride, nitrogen trifluoride and any fluorocarbon except for substances defined in
Title 40 CFR Part 82, subpart A and substances with vapor pressures less than 1 mmHg absolute at 25C. The
complete definition can be found in Title 40 CFR Part 98 (EPA, 2013).
BTEX
Benzene, toluene, ethylbenzene, xylene or BTEX are volatile aromatic compounds typically found in petroleum
product, such as gasoline and diesel fuel (EPA, 2010).
NOx
Nitrogen oxides including nitric oxide and nitrogen dioxide. Commonly found in emissions of vehicles, power
plants and off-road equipment. Known to have adverse effects on the respiratory system. (EPA, 2015)
SO2
Sulfur dioxide. Largely produced from fossil fuel combustion at power plants and other industrial facilities.
Known to have adverse effects on the respiratory system. (EPA, 2015)
CO
Carbon monoxide. A majority of CO emissions come from mobile sources. CO reduces oxygen delivery to body
organs and tissues. At extremely high levels, it can even cause death. (EPA, 2015)
CO2
Carbon dioxide. The primary GHG emitted by human activity. Largely produced from the combustion of fossil
fuels and industry processes. (EPA, 2015)
All Pollutants
Components from all of the groups above.
All Components
All components are considered pollutants (no filter).
CO2 Equivalence (GHGs)

Carbon dioxide (CO2) is the most common greenhouse gas (GHG) emitted by humans today, and is one of the
largest factors of global warming. As a result, CO2 has at times become synonymous with all GHGs. However,
this may cause confusion and a more accurate way of describing GHGs as a collective is the term CO2 Equi-
valence(Brander, 2012).
CO2 Equivalence or CO2Eqis a term for describing different GHGs in a common unit. For any given quantity
and type of GHG, CO2Eq represents the equivalent amount of CO2 that would result in the same global warm-
ing impact. Any quantity of a GHG can be expressed as a CO2Eq by multiplying the quantity of the GHG by its
Global Warming Potential (GWP). The GWP of a GHG represents the amount of warming a gas causes over a
given period of time (generally around 100 years). CO2 has a GWP of 1 and therefore all other GHGs have a
GWP that represents the number of times greater warming effect they cause compared to CO2. (Brander,
2012).
In VMGSim , the CO2 Equivalence is calculated using 20-Year, 100-Year, and 500-Year time horizons and
data from IPCC/TEAP, 2005. The CO2Eq is determined by multiplying the quantity of gas over a time horizon
by the GWP (Brander, 2012).
Example Calculation
Given: 1 ton(short)/yr of methane, a 20-Year time horizon, and GWP(20-Year) = 72 for methane.
CO2Eq (20-Year) = 1 ton(short)/yr x 20yr x 72 = 1440 ton(short) over 20 yrs = 72 ton(short)/yr
Emissions Example
Examples Emissions\EmissionsWithVMGSim.vmp
Case Study
This case study will demonstrate the basic steps needed to estimate and report flash and tank emissions using
VMGSim. It will then touch on how other features of the simulator can be used to analyze, optimize, and report
emissions in the model.
We will start by calculating the flash and tank emissions of a crude oil storage unit, followed by the emissions
from storage of downstream products.
Part 1: Single Tank Emissions

Fluid Characterization
Emission factors calculations are highly sensitive to stored fluid properties, particularly vapor pressure. These
properties are rigorously calculated in VMGSim using equation of state or activity coefficient models. The pro-
gram offers a variety of thermodynamic models tuned for different industries and applications, and the right
selection for the system allows for more accurate estimates of flash and tank emissions.
Proper fluid characterization is essential when modeling oils and heavy hydrocarbons. VMGSim has the cap-
ability to characterize oil using either the traditional pseudo-component approach or the new PIONA (n-
Paraffin, Iso-paraffin, Olefin, Naphthene, and Aromatic) approach. The latter is the state of the art in its ability to
match experimental properties of a fluid even with limited laboratory data.
In this example we use the Advanced Peng-Robinson (APR) thermodynamic model for fluid property cal-
culations, and the PIONA approach to characterize the crude oil.
We set up an Oil Source unit operation and enter laboratory data for the reservoir: a C7+ analysis, MW, API
gravity, and the reservoir saturation pressure. After setting operating conditions for the reservoir stream (tem-
perature, pressure, and flow), click “Regress Parameters” to match the oil properties.
Once the regression is complete, the PIONA oil composition is available, and the Oil Source can be connected
to a material stream that we name “Reservoir_Oil”.
A PVT Analysis unit was used to validate the regression. This unit operation analyzes the behavior of the oil by
means of the simulation of some PVT experiments, like Differential Liberation or Separators, and we are then
able to compare these results to available experimental data. Details on this functionality can be found in the
PVT Analysis section of the manual.
Flash Emissions
Flash emissions that occur during the transfer of the crude oil to the storage tank can be calculated using a sep-
arator. We add a heater in between the reservoir oil stream and the separator to simulate the change in con-
ditions during the fluid transfer.
The separator is set to be at atmospheric pressure and the average flash gas temperature, 90F. The vapor port
of the separator represents the flow of gases that is vented to the atmosphere, while the liquid port represents
the composition of the liquid that is stored in the tank.
Flash emissions are the mass flows of the vapor port. They can be directly obtained from the vapor port itself or
displayed in more detail in the Flash Emissions tab. We can customize how flash emissions are presented from
here, for example adding them to a PFD Datasheet, exporting them to a process calculator, or exporting them
to excel. The display units can be set in any of these interfaces to match the reporting units for flash emissions.
Below are examples of how these values can be displayed on a data sheet or used in a process calculator.
Emissions are presented in metric tons per year.
Storage Tank Emissions

Emissions that occur during tank breathing or liquid filling/emptying operations can be estimated using the Tank
Emissions utility. This tool is accessible through the “Tank Emissions…” button in the separator.
The first objective in the example is to estimate the emissions that would be vented from a vertical fixed roof
tank holding the crude oil.
An emissions case is created by default when we first open the Tank Emissions tool. We rename this “Emis-
sions_Case” to “Emissions_VFRT”.
Tank design parameters are input in the Main Data tab, including tank type and dimensions, paint details, and
vent settings. The stored liquid is defined as a Crude Oil and its composition is read from the liquid port of the
separator, Liq0. The tank is heated, so the liquid bulk temperature is directly specified as 85 F. Ambient data is
loaded from the database as we specify that the nearest city to the tank is Houston, Texas. The tank has 80
turnovers per year.
Overall emissions results are shown in the Emissions Summary frame on top of the tabs. These are broken
down into standing storage losses and working losses and calculated on an annual basis. The Time Basis para-
meter can be changed to calculate emissions over a monthly time period instead. The Loss For parameter can
be changed to calculate emissions for all components, including non-pollutants.
Detailed results are presented in the Detailed Emissions tab. Values like vapor space volume, vapor pressure
of the stored liquid, and losses per component/component group are available here.
All specs and calculations for the emissions case can be exported to an excel template directly from the Report
tab.
Alternative Designs
The results estimate 0.14 tpy of propane emissions from this tank. We want to analyze the effect that using a
floating roof tank instead of a fixed roof tank would have on this value.
A new emissions case is created with the name “Emissions_EFRT” and the new design parameters are input in
the Main Data tab.
Initially there is no fitting loss because fitting information has not been added. This can be done in the Fittings
tab, where for this example we elect to use the AP-42 recommended set of fittings based on the tank type and
dimensions. This list could be customized after deselecting the option to “Use Recommended Set”.
There is now a fitting loss. The design specification is complete and results can be compared. The floating roof
is predicted to decrease propane emissions over 50% from 0.14 tpy to 0.06 tpy.
Values in the Tank Emissions tool can be used like values in any unit operation. For example, they can be
added to a PFD Datasheet or exported to a process calculator as shown below.
Results can also be found in the Tank Emissions tab of the separator.
These variables can also be used in case studies to analyze the effect of process or operating conditions on
emissions. In this example we do a simple case study to view the effect of manipulating the number of annual
turnovers on tank emissions.
Part 2: Plant-wide Emissions

VMGSim allows users to calculate, analyze, and report emissions from all sources in a site using a single sim-
ulation case. Part 2 of this case study will show what this might look like in a basic simulation model, and then a
more complex model.
Emissions from crude oil storage were estimated in part 1; in part 2 we will be estimating emissions from stor-
age of the downstream liquid products. Since products heavier than naphtha are unlikely to have significant
emissions of the lighter pollutants in the case, we will focus only on the storage of naphtha and straight-run
naphtha.
We can use component splitters to model ideal distillation of the crude oil by boiling points. A tower unit oper-
ation could be used to obtain rigorous results, but at this point the goal is to get a rough approximation of the
stored liquid composition in each tank.
The flowsheet is expanded as shown below, with the stored liquid stream from the crude oil tank connected to a
component splitter.
We use the “Assign Splits by Group” option in the component splitter to separate products by boiling point. The
bottom splitter sets all components with a normal boiling point higher than 380 F to be heavier products.
All other components are sent to the second component splitter to be separated at 200F, into naphtha and
lighter products.
Finally, a separator is used to model the partial condenser at the top of the tower that separates straight-run
naphtha from light ends. The condenser is assumed to operate at 100 F and 20 psia.
Product storage tanks are modeled by connecting separators to the naphtha streams. Each separator is spe-
cified to operate at atmospheric pressure and flash gas temperature. A cooler is used where required to model
changes in fluid conditions during transfer to the tanks.
Flash emissions and storage tank emissions can now be calculated for each tank as shown in Part 1 of the case
study.
Results can be analyzed and presented in multiple ways, for example shown in PFD data sheets or compiled in
a process calculator.
The flash emissions results can also be summarized into component groups within the Emissions Summary
form.
Simple models like this can provide initial estimates for plant-wide emissions at early stages of a project. After
this initial setup the model is free to continuously evolve as more field data and/or design specs become avail-
able, and emission estimates will be updated automatically with the model.
It is just as easy to add emission estimates to a complete and rigorous plant model. For example, open the
PIONA fluid catalytic cracking plant example in VMGSim. This is accessible through the main menu’s File >
Plant Examples.
Add a new subflowsheet in the case and set up a storage tank in it for the plant’s gasoline product. Spec the sep-
arator at atmospheric pressure and flash gas temperature, and connect the “Gasoline(145)” stream from the
main flowsheet to the cooler.
Flash emissions from the tank transfer are now calculated and available in the separator’s vapor stream mass
flows, and the tank emissions can be estimated using the Tank Emissions tool in the separator.
This simple process can be repeated for any liquid feeds or products in the case that go to storage. The rigorous
model is expected to give precise emissions estimates.
Bibliography
Environment Canada, National Air Pollutant Emissions, May 2014
U.S. Environmental Protection Agency, Oil and Natural Gas Air Pollution Standards, January 2015
U.S. Environmental Protection Agency, AP 42, Fifth Edition: Compilation of Air Pollutant Emission Factors.
Volume 1: Stationary Point and Area Sources, Chapter 7: Liquid Storage Tanks, November, 2006
McCain, W.D. The Properties of Petroleum Fluids, PennWell Books 1990
Emissions Summary
General
The Emissions Summary feature in VMGSim contains a summary of total emissions from all sources in the
case.
Open the Emissions Summary Form

Open the Emissions Summary form by clicking on the Emissions Summary button (Earth icon) on the toolbar:
Display
Time Basis Dropdown

Select Annual to display emissions in a per year basis. Select Daily to display emissions in a per day basis.
Changing this variable also changes the time basis for Flash Emissions tabs in Material Streams and Tank
Emissions tabs in Separators.

Select to display emissions based on pollutant type. Units are based on the time basis selected.

Select to display CO2 Equivalence emissions based on pollutant type. Units are based on the time basis selec-
ted.
Sources Only
Select to only display the streams and separators that have been identified as emissions sources. In the Vent-
ing tab, this would include streams that have been marked as "Is Vented". In the Liquid Storage tab, this would
include separators that have been marked as "Is Tank". In the Transportation tab, this would include separators
that have been marked as "Is Loading Source".
If not selected, all streams and separators in the case are listed in each applicable tab. The columns to mark
them as sources ("Is Vented", "Is Tank" and "Is Loading Source") are visible as well.
Sort By
Sort sources by name or total emissions of a pollutant type.
Summary (Tab)
Total Emissions
This frame shows the total emissions from unit operations in the case that were marked as emissions sources,
grouped by type of source.
If "Emissions (All Pollutants)" is selected in the Display options, the total emissions of each polllutant type are
reported. If "CO2 Equivalence (GHGs)" is selected, the 20-, 100-, and 500-Year CO2Eq of total greenhouse
gas emissions is reported.
The companion plot to the right of the grid illustrates the results. The radio button can be used to filter the type of
emission sources shown in the plot (Flash, Tank, Loading, or All). The dropdown can be used to filter the type of
emissions to show, including: in "Emissions (All Pollutans)" mode, each pollutant type (HAPs, VOCs, etc); in
"CO2 Equivalence (GHGs)" mode, each time horizon at which CO2Eq is measured.
Venting (Tab)
This tab summarizes Flash Emissions in the case. Flash emissions come from venting to the atmosphere from
(selected) streams.
Total
Sum of emissions from streams that are marked as emissions sources ("Is Vented"). In "Emissions (All Pol-
lutans)" mode, emission totals are given for each pollutant type (HAPs, VOCs, etc). In "CO2 Equivalence
(GHGs)" mode, emission totals are given in CO2Eq at each time horizon.
Stream
If "Sources Only" is selected, only streams that were marked as emissions sources ("Is Vented") are
shown. Otherwise, or if no streams are marked as emissions sources, all streams in the case are shown.
Is Vented
Select to include the stream in flash emissions calculations. This column is only visible if "Sources Only" is not
selected, or if there are no streams selected as vent sources.
Selecting this option will also add a Flash Emissions tab in the stream form, with detailed results by component.
Click on the stream name to open this tab.
Liquid Storage (Tab)

This tab summarizes Tank Emissions in the case. Tank emissions come from breathing and working losses of
liquid storage tanks (selected separators).
Total
Sum of emissions from separators that are marked as emissions sources ("Is Tank"). In "Emissions (All Pol-
lutans)" mode, emission totals are given for each pollutant type (HAPs, VOCs, etc). In "CO2 Equivalence
(GHGs)" mode, emission totals are given in CO2Eq at each time horizon.
Separator
If "Sources Only" is selected, only separators that were marked as emissions sources ("Is Tank") are
shown. Otherwise, or if no separators are marked as emissions sources, all separators in the case are shown.
Is Tank
Select to include the separator in total tank emissions calculations. This column is only visible if "Sources Only"
is not selected, or if there are no separators selected as tank emissions sources.
Selecting this option will also add a Tank Emissions tab in the separator form, with detailed results by com-
ponent. Click on the separator name to open this tab.
Tank Emissions Case (Edit)

This dropdown lists all cases of "Tank Emissions" that have been created for the separator. Emissions totals will
be taken from the case that is selected. A case named "Emissions_Case1" is automatically created with default
specifications when no cases exist yet and "Is Tank" is selected. Click on the ellipsis of the "Edit" grid next to the
dropdown to open the selected case in the Tank Emissions form of the separator. In this form properties of tank
design, stored liquid, and facility location and operation can be edited, and alternative cases can be created.
Detailed results and reports are also found in this form. Refer to the Tank Emissions section for more inform-
ation.
Transportation (Tab)
This tab summarizes Loading Emissions in the case. Loading emissions come from losses while loading the
liquid from storage tanks (selected separators) to cargo tanks for ground transportation.
Total
Sum of loading emissions from separators that are marked as loading sources ("Is Loading Source") in their act-
ive Tank Emissions Case. In "Emissions (All Pollutans)" mode, emission totals are given for each pollutant type
(HAPs, VOCs, etc). In "CO2 Equivalence (GHGs)" mode, emission totals are given in CO2Eq at each time hori-
zon.
Separator
If "Sources Only" is selected, only separators that were marked as loading sources ("Is Loading Source") in
their active Tank Emissions Case are shown. Otherwise, or if no separators are marked as loading emissions
sources, all separators in the case are shown.
Is Tank
Select to include the separator in total tank emissions calculations. This column is only visible if "Sources Only"
is not selected, or if there are no separators selected as loading emissions sources.
Selecting this option will also add a Tank Emissions tab in the separator form, with detailed results by com-
ponent. Click on the separator name to open this tab.
Tank Emissions Case (Edit)

This dropdown lists all cases of "Tank Emissions" that have been created for the separator. Emissions totals will
be taken from the case that is selected. A case named "Emissions_Case1" is automatically created with default
specifications when no cases exist yet and "Is Tank" is selected. Click on the ellipsis of the "Edit" grid next to the
dropdown to open the selected case in the Tank Emissions form of the separator. In this form properties of tank
design, stored liquid, and facility location and operation can be edited, and alternative cases can be created.
Detailed results and reports are also found in this form. Refer to the Tank Emissions section for more inform-
ation.
Is Loading Source
Select to calculate loading emissions in the selected Tank Emissions Case of the separator. This is equivalent
to the option to "Estimate Loading Losses" in the Tank Emissions form. Refer to the Tank Emissions section for
more information on calculation of Loading Losses.
This column is only visible if "Sources Only" is not selected, or if there are no separators selected as loading
emissions sources.
Selecting this option will also automatically select "Is Tank" of the separator if it was not already selected. Note
that "Is Loading Source" is tied to the selected Tank Emissions Case. If that selection changes, this option will
change accordingly.
Flash Emissions
General
The Flash Emissions tab in the Material Stream unit op summarizes stream emissions based on component
groups.
This tab is visible when the stream is marked as a source of flash emissions (venting to the atmosphere). This
can be done by selecting Emissions in the Show Details frame of the Settings tab within the material stream.
It can also be marked by selecting "Is Vented" for the stream in the Emissions Summary form.
Display
Time Basis Dropdown

Changing this variable also changes the time basis in the Emissions Summary form.


ted.
Overall Emissions
Pollutant Type
Pollutants divided into individual groups including HAPs, VOCs, BTEX, etc.
Emissions
Total emissions for each individual group. Calculated as a sum of all individual component emissions.
Detailed Emissions
Component Group Dropdown

Filter component emission results based on pollutant type. Select All Pollutants to display components for all
component groups. Select All Components to display all components (including non-pollutants).
Component Group Emissions

Displays emissions for each component based on the selected pollutant type.
Overall CO2 Equivalence
Horizon
Time horizon when calculating CO2 Equivalence. 20-Year, 100-Year and 500-Year horizons are available.
CO2Eq
Overall CO2 Equivalence for each time horizon. Calculated as a sum of all individual component CO2 equi-
valences.
Detailed CO2 Equivalence
Emissions
Emissions released by individual components based on the component flows. Identical to results in Detailed
Emissions.
20-Year CO2Eq
CO2 Equivalence of each individual component based on a time horizon of 20 years.
100-Year CO2Eq
500-Year CO2Eq
Emissions Summary... (link)

Select to open the Emissions Summary form.
Tank Emissions
Examples Emissions\TankEmissions.vmp
The Tank Emissions feature in VMGSim can be used to estimate material losses from liquid storage tanks dur-
ing storage, filling, and emptying operations. It also offers the option to estimate loading losses from ground
transportation of the stored liquid.
Tank emissions capabilities in VMGSimsupport emission calculations from both fixed roof tanks (vertical or
horizontal) and floating roof tanks (with external, domed external or internal floating roof). The equations used
are based on Chapter 7.1 of AP-42, Fifth Edition as published by the US Environmental Protection Agency
(EPA) in November 2006.
Loading emissions are calculated based on Chapter 5.2 of AP-42, Fifth Edition as published by the US Envir-
onmental Protection Agency (EPA) in July 2008.
By default, fluid properties are calculated rigorously using the property package that is linked to the separator.
They are not estimated from factors and ideal assumptions as in AP-42.
To use only the methodologies outlined in AP-42, refer to the "Use VMGThermo" check box in the Settings tab.
Creating a Tank Emission Case
The tank emissions feature is accessed by clicking the “Tank Emissions…” button in the bottom of the form of
any separator in VMGSim.
Once the Tank Emissions button is clicked, the emissions form will appear. All of the tank emissions and loading
emissions capabilities are managed in this form.
Managing Emissions Cases

A default emissions case is created for the separator when the form is opened for the first time. Emissions
cases for the separator are managed from the Case frame.
The drop-down is used to select the emissions case that you are working on.
Use the Add/Remove/Rename buttons to create/delete/rename emissions cases.
Auto-Run
Set this option to resolve the emissions case every time a variable in the form is modified. This option must be
set in order to perform case studies on emissions results.
If the option is not set, you must click the Run button at the bottom of the form to resolve the emissions case.
Emissions Summary
This frame provides a summary of losses from the tank over the specified time period. The types of losses that
apply will vary based on the type of tank selected.
Time Basis
Time period over which emissions are calculated
l Annual = losses per year (365 days)

l Monthly = losses in a single (selected) month
Month
Specific month (linked to number of days) over which emissions are calculated. Also used to load ambient con-
ditions when the selected Ambient Data Source is VMG Database.
Losses For
Type of components to be used for the overall emission losses
l All Pollutants = only pollutants are counted in the total emissions

l All Components = all components are counted in the total emissions
Storage Tank Loss

Total mass of stored product that evaporates during storage and emptying/filling operations
Standing Storage Loss

Mass of stock vapors lost as a result of tank vapor space breathing in a fixed roof tank. Vapors are expelled from
the tank when changes in temperature and pressure tesult in stock vapor expansion and contraction.
Working Loss
Mass of stock vapors lost as a result of filling and emptying operations in a fixed roof tank.
Rim Seal Loss

Mass of stored product lost through the rim seal system of a floating roof tank. Rim seal losses are mostly wind-
induced in external floating roof tanks.They can also occur through breathing, solubility, and wicking mech-
anisms.
Fitting Loss
Mass of stored product lost through the deck fittings of a floating roof tank.Fitting losses occur through breath-
ing, solubility, and wicking mechanisms.They are also wind-induced in external floating roof tanks.
Deck Seam Loss

Mass of stored product lost through the deck seams of an internal floating roof tank with a bolted deck.Deck
seam losses occur through breathing, solubility, and wicking mechanisms.
Withdrawal Loss
Mass of stored product lost during emptying operations in floating roof tanks. Losses occur because as the
liquid level is lowered some liquid clings to the shell (and to columns if there is a fixed, column-supported roof)
and evaporates.
Estimate Loading
Select this option to estimate loading losses from the tank.
Loading Loss
Mass of stored product lost while loading the stored liquid into a rail tank car or tank truck for transportation.
Losses occur because: vapors in the "empty" cargo tank, leftover from a previous load or transferred to the tank
through vapor balance systems during unloading, are displaced into the atmosphere; and, vapors are gen-
erated in the tank as the new product is being loaded.
Main Data (Tab)

Use this tab to specify properties of the tank, the stored liquid product, and the site.
Tank
Physical characteristics of the tank are specified in this frame. Only variables that apply to the selected tank type
will be shown.
Tank Type
Type of storage tank.
l Vertical/Horizontal Fixed Roof tanks have a permanently affixed roof on a cylindrical shell. They can
be freely vented or be equipped with a pressure/vacuum vent
l External Floating Roof tanks (ERFT) consist of an open-topped cylindrical shell and are equipped
with a roof that floats on the surface of the stored liquid
l Internal Floating Roof tanks (IFRT) have both a permanent fixed roof and a floating roof inside
l Domed External Floating Roof tanks (DEFRT) are IFRT with a domed, self-supporting fixed roof
and a welded deck
Shell Diameter
Diameter of the storage tank's cylindrical shell
Shell Height
Length of the storage tank's cylindrical shell. Used to calculate the tank vapor space volume in fixed roof tanks.
For horizontal tanks with rounded ends, use the overall length.
Average Liq Height

Average height of the stored liquid product. Used to calculate the tank vapor space volume in vertical fixed roof
tanks.
Auto-Calc Capacity
Check box to calculate total capacity (working volume) of the tank based on the given specs:
Capacity (working volume) = (pi x (shell diameter ^ 2) x height) / 4
Where height is:
l Average liquid height, for vertical fixed-roof tanks

l Shell length, for horizontal fixed-roof tanks
Capacity
Total capacity (working volume) of the tank. Used to calculate annual throughput of the tank when the option to
auto-calculate it is selected.
Roof Type
Cone/Dome. Used to calculate vapor space volume for vertical fixed roof tanks.
Roof Slope
Cone roof slope. Use recommended standard value of 0.0625 if unknown. Used to calculate tank vapor space
volume in vertical fixed roof tanks with a cone roof.
Roof Radius
Dome roof radius. Assume the same as tank diameter if unknown.Used to calculate tank vapor space volume in
vertical fixed roof tanks with a cone roof.
Roof Color
The roof paint color.
Roof Shade
Shade of the roof paint color. Used to calculate tank solar absorptance.
Roof Paint Condition

Condition of roof paint. Used to calculate tank solar absorptance.
Internal Shell Condition

Internal condition of the tank shell. Used to estimate estimate the degree of shell clingage, and consequent with-
drawal loss, in floating roof tanks.
Shell Color
The shell paint color. Used to calculate tank solar absorptance.
Shell Shade
Shade of the shell paint color. Used to calculate tank solar absorptance.
Shell Paint Condition

Condition of shell paint. Used to calculate tank solar absorptance.
Assume white paint in good condition for roof/shell if specific information is not available.
Note that 'Aluminum' color of 'Mill finish, unpainted' shade refers to the base metal, rather than aluminum-
colored paint.
Estimate Number of Columns

Check box to allow VMGSim to estimate the number of columns necessary to support the fixed roof in the
internal floating roof tank based on the tank diameter and EPA survey data.
The actual number of columns may vary greatly with age, fixed roof style, loading specifications, and man-
ufacturing prerogatives. This setting should not be used when actual tank data are available.
Number of Columns
Number of columns supporting the fixed roof in an internal floating roof tank. Used to estimate estimate the
degree of column clingage, and consequent withdrawal loss, in floating roof tanks.
Custom Effective Diameter

The effective column diameter is estimated based on the column construction type. Check this box to instead
specify the effective column diameter directly.
Column Construction
Type of column construction for internal floating roof tanks with column-supported roofs. Used to estimate the
effective column diameter when the option to specify it directly is not selected.
Effective Column Diameter

Effective column diameter for internal floating roof tanks with column-supported fixed roofs. May be estimated
from the column construction type if the option is selected, and must be directly specified by the user otherwise.
Used to estimate withdrawal loss in floating roof tanks.
Freely Vented
Check box to force the breather vent settings to 0 psi. Use if the tank does not contain a breather vent or if the
tank is not liquid and vapor tight.
If the tank is of bolted or riveted construction in which the roof or shell plates are not vapor tight, select this
option even if a breather vent is used.
Breather Vent P
Breather vent pressure setting in fixed roof tanks. Set to +0.03 psi if no specific information is available.A higher
setting can reduce losses: standing storage losses, as the tank contents are less sensitive to changes in ambi-
ent temperature; working losses, as more vapor condenses prior to opening the vent
Breather Vent V
Breather vent vacuum setting in fixed roof tanks. Set to -0.03 psi if no specific information is available. A lower
setting can reduce standing storage losses, as the tank contents are less sensitive to changes in ambient tem-
perature.
Tank Construction
Type of tank construction. If no specific information is available, assume a welded tank. Used to estimate rim
seal losses in floating roof tanks.
Determines the types of rim seals that can be installed in the tank.Welded tanks can use liquid/vapor mounted
primary seals, while riveted tanks are restricted to a mechanical-shoe seal.
Primary Seal
Type of primary seal used in the rim seal system of the tank.
Rim seal systems are required in floating roof tanks. The primary seal fills the annular space between the edge
of the floating deck and the tank wall.
If no specific information is available, assume a primary seal type:
l vapor-mounted, for internal floating roof tanks

l mechanical-shoe, otherwise
Secondary Seal
Type of secondary seal used in the rim seal system of the tank. If no specific information is available, assume
that no secondary seal is used.
Rim seal systems are required in floating roof tanks. A secondary seal may be used in addition to a primary seal
to reduce evaporative loss.
Deck Type
The type of deck (welded/bolted) used in a floating roof tank. Used to determine if there are losses from deck
seams; these losses occur in internal floating roof tanks with bolted decks, where seams may not be completely
vapor tight.
Deck Construction Type

Bolted deck construction type in the internal floating roof tank. If no specific information is available, assume a
continuous sheet construction.
Used to estimate deck seam length and the consequent deck seam losses, as presented in Chapter 7 of the
AP-42 manual.
Deck Seam Dimensions

Bolted deck construction dimensions in the internal floating roof tank. If no specific information is available,
assume a 5-ft wide continuous sheet construction.
Used to estimate deck seam length and the consequent deck seam losses, as presented in Chapter 7 of the
AP-42 manual.
Panel Length
Length of bolted deck panels in the internal floating roof tank. Used to estimate deck seam length and the con-
sequent deck seam losses, as presented in Chapter 7 of the AP-42 manual.
Panel Width
Width of bolted deck panels in the internal floating roof tank. Used to estimate deck seam length and the con-
sequent deck seam losses, as presented in Chapter 7 of the AP-42 manual.
Sheet Width
Width of bolted deck continuous sheets in the internal floating roof tank.Used to estimate deck seam length and
the consequent deck seam losses, as presented in Chapter 7 of the AP-42 manual.
Specify Seam Length

Check box to specify the deck seam length directly
Deck Seam Length

Length of bolted deck seam in the internal floating roof tank. Used to estimate deck seam losses from internal
floating roof tanks with bolted decks, as presented in Chapter 7 of the AP-42 manual
Stored Liquid
Properties of the stored product are specified in this frame.
Product Type
Type of liquid stored in the tank.
l Organic Liquids = pure chemicals or mixtures of chemicals with similar true vapor pressures
l Petroleum Liquids = refined mixtures of hydrocarbons with dissimilar true vapor pressures
l Crude Oils = unrefined petroleum
User-Specified Liq Bulk T

Check box to specify the liquid bulk temperature directly. Use when the tank is heated or the stock liquid is not in
equilibrium with ambient conditions.
Liq Bulk T
Liquid bulk temperature. May be directly specified by the user if this option is selected (should be for heated
tanks). Otherwise, estimated from ambient conditions.
Used to estimate the daily average liquid surface temperature.
Average Liq Surface T

Daily average liquid surface temperature. Estimated from ambient conditions and liquid bulk temperature.
User-Specified Composition
Check box to directly specify the composition of the product in the tank. Product composition will remain inde-
pendent of the separator solution as long as this option is selected. If the option is unselected, product com-
position will be loaded from the selected separator port.
Sep Port to Tank Storage

Name of the material port in the separator that is linked to the tank storage. The composition in this port is used
as the composition of the stored fluid in the tank.
Mole Fraction
Bulk molar fraction of each component fed to the tank. This composition may be loaded from the separator port
selected in Sep Port to Tank Storage, or directly specified by the user if that option is selected.
Only emissions from the liquid phase will be calculated, even if the product is unstable (boiling) at storage con-
ditions.
Note that the user-specified composition will be normalized when the case solves. It is recommended that the
Auto-Run option be deselected when the mole fraction of multiple components is to be entered.
Facility
Ambient and operating conditions at the tank facility are specified in this frame. Only variables that apply to the
selected tank type will be shown.
Estimate Loading Losses

Select this option to estimate loading losses from the tank when the liquid product is loaded into rail tank cars or
tank trucks for transportation.
Tank Is Underground
Checkbox for horizontal fixed roof tanks in underground service. It is assumed that no standing storage (breath-
ing) losses occur from these tanks, since the surrounding earth limits the diurnal temperature change.
Atm P
Atmospheric pressure. Must be specified by the user. It is assumed that the tank is normally operated at this
pressure.
NOTE: Atmospheric pressure as applied in AP-42 emissions calculations is the ambient pressure at the site
(depends on altitude), not barometric/air pressure (depends on temperature, altitude and other factors).
Ambient Data Source

Data source used to specify the site's ambient conditions (daily min/max temperature, wind speed, and daily
total solar isolation factor).
VMG Database
conditions are loaded from data presented in the EPA AP-42 manual for the selected US city
User-Defined
conditions must be entered by the user
EPA Default
if the tank location is unknown, assume typical conditions for the lower 48 US states, as suggested
in AP-42 methodology
City
U.S. city closest to the tank location. Used to load daily ambient conditions when the selected Ambient Data
Source is VMG Database
State
U.S. state closest to the tank location. Used to load daily ambient conditions when the selected Ambient Data
Source is VMG Database
Average Min T
Average daily minimum ambient temperature. Loaded or specified based on the Ambient Data Source selec-
tion.
Used to determine liquid temperature, and to estimate standing storage losses due to ambient temperature
changes from fixed roof tanks.
Average Max T
Average daily maximum ambient temperature. Loaded or specified based on the Ambient Data Source selec-
tion.
Wind Speed
Average ambient wind speed at the tank site. Loaded or specified based on the Ambient Data Source selection.
Used to estimate standing storage losses from external floating roof tanks.
Solar I Factor
Daily total solar insolation factor. Loaded or specified based on the Ambient Data Source selection.
Turnovers / Year
Annual turnover rate. Used to calculate annual throughput of the tank when the option to auto-calculate it is
selected. Also used to estimate the effect of "turnover saturation" on working losses in fixed roof tanks.
Auto-Calc Throughput
Check box to calculate annual net throughput of the tank based on the given specs, where
Net throughput = capacity (working volume) x turnovers / year
If this option is not selected, the specified value for throughput must still agree within 10% with the above for-
mula.
Throughput
Annual net throughput of the tank. Used to estimate loss of stock vapors as a result of filling or emptying oper-
ations.
If specified, must agree within 10% with Throughput = Tank Capacity x Turnovers
Loading Method
Method used to load the stored liquid into the tank truck or rail tank car. Used to estimate loading losses.
Splash Loading
the opening of the fill pipe is above the liquid level of the cargo tank, causing significant turbulence
and vapor-liquid contact
Submerged Loading
the opening of the fill pipe is below the liquid level of the cargo tank, resulting in less turbulence and
lower vapor generation
Carrier Operation
Recent loading history of the cargo carrier. Used to estimate loading losses.
Clean Carrier
the carrier unloaded a nonvolatile liquid (ex. fuel oil) or has just been cleaned
Dedicated Service
the carrier is designated to transport only this product
Vapor Balance Service

Select if the carrier is operating in vapor balance service. This capture technique works to retrieve the vapors
displaced during product unloading back into the carrier, and the carrier transports these vapors back to the
loading terminal.
Loading Is Controlled
Select if a control system is in place to reduce emissions during loading operations. For example, this may be
done with a vapor recovery unit or a thermal oxidation unit.
Collection Efficiency
Percent of vapor displaced during loading that reaches the control device, accounting for leakage from the car-
rier and the collection system.
Recommended by EPA:
- 99.2% for trucks that pass the MACT-level annual leak test (not more than 1 in. water column pressure
change in 5 minutes after pressurizing to 18 inches water followed by pulling a vacuum of 6 inches water)
- 98.7% for trucks that pass the NSPS-level annual leak test (3 in. pressure change)
- 70% for trucks that are not leak tested
Control Efficiency
Percent of vapor displaced and collected during loading that is recovered (or eliminated) by the control system.
Typical vapor recovery units (VRU) range from 90-99% efficiency, depending on the properties of the vapor
and the type of equipment.
Other control methods include thermal oxidation units, carbon systems, and flares.
Fittings (Tab)
Use this tab to manage the roof fittings in a floating roof tank.
Use Recommended Set

Checkbox to load the recommended set of fittings. This set is based on the tank type, diameter, and other prop-
erties like roof type, as suggested in Chapter 7 of the AP-42 manual.
Selecting this option will clear all previously-specified fitting information and cannot be undone. Fitting data can-
not be edited as long as this option is selected; deselect to edit the recommended set.
Reset Quantity
Use this button to load the recommended number of fittings for the selected fitting entry. This number is cal-
culated based on the tank type, diameter, and other properties like roof type, as suggested in Chapter 7 of the
AP-42 manual.This action cannot be undone.
Delete
Use this button to delete the selected fitting entry from the emissions model. This action cannot be undone.
Fitting / Fitting Type / Quantity

There should be one entry in the grid for each type of fitting used in the floating roof tank.These columns rep-
resent the fitting, its construction details/status, and the number of fittings of that type that are used in the tank.
Certain fittings are designed for a specific tank configuration. A warning will be displayed if an inappropriate fit-
ting is used for the given tank configuration.
Storage Tank Loss (Tab)

Use this tab to view more detailed calculations for storage tank emissions, including emissions results per com-
ponent group.
Storage Conditions

Daily average liquid surface temperature. Estimated from ambient conditions and liquid bulk temperature.
Vap P At Avg Liq Surface T

Total vapor pressure of the stored liquid at the daily average liquid surface temperature
Stock Vapor Density

Mass density of vapors formed at the daily average liquid surface temperature. Used to estimate the mass of
stock vapor in the tank for standing storage losses in fixed roof tanks.
Vapor MW
Molecular weight of vapors formed at the daily average liquid surface temperature
Organic Liquid Density

Density of the stored liquid product at atmospheric pressure and the daily average liquid surface temperature.
Used to estimate the evaporative loss during tank emptying operations in floating roof tanks.
Tank Solar Absorptance

Tank paint solar absorptance. Used to estimate the effect of paint color, shade, and condition on liquid surface
temperature.
Vap T Range
Daily vapor temperature range. Estimated from ambient conditions. Used to calculate the vapor space expan-
sion factor in fixed roof tanks.
Min Liq Surface T

Daily minimum liquid surface temperature. The daily liquid surface temperature range is assumed to be half of
the daily vapor temperature range.
Used to calculate the daily vapor pressure range in fixed roof tanks.
Max Liq Surface T

Daily maximum liquid surface temperature. The daily liquid surface temperature range is assumed to be half of
Vap P At Min Liq Surface T

Vapor pressure at daily minimum liquid surface temperature. Used to calculate the daily vapor pressure range
in fixed roof tanks.
Vap P At Max Liq Surface T

Vapor pressure at daily maximum liquid surface temperature. Used to calculate the daily vapor pressure range
Standing Storage Loss (Fixed Roof Tanks)

Mass of stock vapors lost as a result of tank vapor space breathing in a fixed roof tank. Vapors are expelled from
the tank when changes in temperature and pressure tesult in stock vapor expansion and contraction.
This value is set to display losses for all components only. Refer to the Emissions Summary frame or Detailed
Losses By Component Group frame for filtered results.
Tank Vapor Space Volume

Tank vapor space volume. Used to estimate the mass of stock vapor in the tank for standing storage losses in
fixed roof tanks.
Vented Vapor Space Saturation Factor

Vented vapor space saturation factor. Used to estimate the mass of stock vapor in the tank for standing storage
losses in fixed roof tanks. The magnitude of this factor is inversely proportional to the product of the stock vapor
pressure and the vapor space outage.
Vapor Space Expansion Factor

Vapor space expansion factor. A direct multiplier used to estimate the effect of daily changes in temperature
and pressure on standing storage losses from fixed roof tanks.
Roof Height
Tank roof height. Used to calculate roof outage in vertical fixed roof tanks.
Roof Outage
Height of a vertical tank shell with an equivalent liquid surface area as the tank and a total volume equivalent to
the tank's roof volume.
Used to calculate the tank vapor space volume in vertical fixed roof tanks.
Effective Diameter
Diameter of a vertical tank with an equivalent liquid surface area.
Used to estimate the tank vapor space volume in horizontal fixed roof tanks.
Vapor Space Outage

Height of a vertical tank shell with an equivalent liquid surface area as the tank and a total volume equivalent to
the tank's vapor space volume.
Used to calculate the vented vapor space saturation factor in fixed roof tanks.
Working Loss
Working Loss
Mass of stock vapors lost as a result of filling and emptying operations in a fixed roof tank.
Throughput
ations.
Turnover Factor
Working loss turnover (saturation) factor. A direct multiplier on working losses; used to estimate the effect of the
number of annual turnovers.
For 36 annual turnovers or less, there is no direct effect on working losses (factor is 1.0). The value of the factor
decreases as the number of annual turnovers increase past this level.
Product Factor
Working loss product factor. A direct multiplier on working losses, used to estimate the effect of the stored
product type.
The factor has a value of 0.75 for crude oils, and 1.0 for other product types.
Vent Setting Correction Factor

Vent setting correction factor. A direct multiplier on working losses; used to estimate the reduction in emissions
due to vapor condensation prior to opening the vent.
The effect is only significant if breather vent settings are greater than 0.03 psi; otherwise the factor will have a
value of 1.0.
Standing Storage Loss (Floating Roof Tanks)
Rim Seal Loss

Mass of stored product lost through the rim seal system of a floating roof tank. Rim seal losses are mostly wind-
induced in external floating roof tanks.They can also occur through breathing, solubility, and wicking mech-
anisms.
Rim Seal Factor A

Zero wind speed rim seal loss factor [lbmol/ft-yr]. Factor based on tank construction and primary/secondary
seal type,as presented in Chapter 7 of the AP-42 manual.
Used to estimate wind-independent evaporative losses through the rim seal system in floating roof tanks.
Rim Seal Factor B

Wind-speed dependent rim seal loss factor [lbmol/ft-yr-(mile/h)^n]. Based on tank construction and primary/sec-
ondary seal type, as presented in Chapter 7 of the AP-42 manual.
Used to estimate wind-dependent evaporative losses through the rim seal system in external floating roof
tanks.
Seal-Related Wind Speed Exp

Seal-Related Wind Speed Exponent. Based on tank construction and primary/secondary seal type, as presen-
ted in Chapter 7 of the AP-42 manual.
Used to estimate wind-dependent evaporative losses through the rim seal system in external floating roof
tanks.
Fitting Loss
Mass of stored product lost through the deck fittings of a floating roof tank.Fitting losses occur through breath-
ing, solubility, and wicking mechanisms.They are also wind-induced in external floating roof tanks.
Total Fitting Loss Factor

Total deck fitting loss factor [lbmol/yr]. Factor based on construction details and quantity of each fitting type, as
presented in Chapter 7 of the AP-42 manual. Used to estimate evaporative losses through deck fittings in float-
ing roof tanks.
Deck Seam Loss

Mass of stored product lost through the deck seams of an internal floating roof tank with a bolted deck. Deck
seam losses occur through breathing, solubility, and wicking mechanisms.
Deck Seam Loss Factor

Deck seam loss per unit length factor [lbmol/ft-yr]. Used to estimate the evaporative loss from internal floating
roof tanks per unit of deck seam length, based on the deck type. It has a value of 0.0 lbmol/ft-yr for welded
decks and 0.14 lbmol/ft-yr for bolted decks.
Deck Seam Length Factor

Deck seam length factor [ft/ft2]. The ratio of total deck seam length to area of the deck. Used to estimate the
evaporative loss through deck seams from internal floating roof tanks.
Vapor Pressure Function

A direct multiplier on standing storage losses from floating roof tanks. Used to estimate the effect of the rela-
tionship between atmospheric pressure and the stored liquid's daily average vapor pressure.
Product Factor
A direct multiplier on standing storage losses from floating roof tanks. Used to estimate the effect of the stored
product type on evaporative losses. It has a value of 0.4 for crude oils and 1.0 for other product types.
Withdrawal Loss
Withdrawal Loss
Mass of stored product lost during emptying operations in floating roof tanks. Losses occur because as the
liquid level is lowered some liquid clings to the shell (and to columns if there is a fixed, column-supported roof)
and evaporates.
Throughput
ations.
Clingage Factor
Shell clingage factor [bbl/1000ft2]. Factor based on the stored liquid product type and the shell condition, as
presented in Chapter 7 of the AP-42 manual. Used to estimate the evaporative loss during tank emptying oper-
ations in floating roof tanks.
Effective Column Diameter

Effective column diameter for internal floating roof tanks with column-supported fixed roofs. May be estimated
from the column construction type if the option is selected, and must be directly specified by the user otherwise.
Used to estimate withdrawal loss in floating roof tanks.
Detailed Storage Losses By Component Group
Select a component group filter by clicking on the drop-down. By default, the filter is set for "All Pollutants".
Changing the component group filter does not change the results displayed in the Emissions Summary frame
Group Losses
Summary of the losses for the component group over the given time period
Storage Tank Loss

Total emissions of stored liquid component as a result of evaporative losses during storage and emptying/filling
operations

Loss of component stock vapors as a result of tank vapor space breathing in a fixed roof tank
Working Loss
Loss of component stock vapors as a result of filling and emptying operations in a fixed roof tank
Rim Seal Loss

Loss of stored liquid product component through the rim seal system of a floating roof tank
Fitting Loss
Loss of stored liquid product component through the deck fittings of a floating roof tank
Deck Seam Loss

Loss of stored liquid product component through the deck seams of an internal floating roof tank with a bolted
deck.
Loading Loss (Tab)

Use this tab to view more detailed calculations for loading emissions, including emissions results per com-
ponent group.
Loading Conditions

Daily average liquid surface temperature. Estimated from ambient conditions and liquid bulk temperature
Vap P At Avg Liq Surface T

Total vapor pressure of the stored liquid at the daily average liquid surface temperature
Vapor MW
Molecular weight of vapors formed at the daily average liquid surface temperature
Tank Solar Absorptance

Tank paint solar absorptance. Used to estimate the effect of paint color, shade, and condition on liquid surface
temperature.
Vap T Range
Daily vapor temperature range. Estimated from ambient conditions. Used to calculate the vapor space expan-
sion factor in fixed roof tanks.
Min Liq Surface T

Daily minimum liquid surface temperature. The daily liquid surface temperature range is assumed to be half of
Max Liq Surface T

Daily maximum liquid surface temperature. The daily liquid surface temperature range is assumed to be half of
Vap P At Min Liq Surface T

Vapor pressure at daily minimum liquid surface temperature. Used to calculate the daily vapor pressure range
Vap P At Max Liq Surface T

Vapor pressure at daily maximum liquid surface temperature. Used to calculate the daily vapor pressure range
Loading Loss
Loading Loss
Mass of product lost while loading the stored liquid into a rail tank car or tank truck for transportation. Losses
occur because: vapors in the "empty" cargo tank, leftover from a previous load or transferred to the tank
through vapor balance systems during unloading, are displaced into the atmosphere; and, vapors are gen-
erated in the tank as the new product is being loaded.
This value is set to display losses for all components always. Refer to the Emissions Summary frame or
Detailed Losses By Component Group frame for filtered results.
Controlled Loading Loss

Emissions from loading operations that go through a control system.
Based on the overall reduction efficiency of the control equipment (a function of the
capture efficiency of the collection system and the control efficiency).
Loading Fugitives
Emissions from loading operations that do not go through a control system.
Based on the collection efficiency of the control equipment if it is a controlled loading operation, otherwise it is
equivalent to the uncontrolled loading loss.
Overall Control Efficiency

Overall emission reduction efficiency in loading operations.
Based on the capture efficiency of the collection system and the recovery efficiency of the control device.
Uncontrolled Loading Loss

Vapor dispersed during loading operations. This amount is estimated based on the previous cargo and the
method of unloading it, as well as the tank's liquid product (new cargo) and the method of loading it.
Saturation Factor
The expelled vapor's fractional approach to saturation. It is estimated based on the loading method and recent
carrier service, as presented in Chapter 5 of the AP-42 manual.
Used to estimate uncontrolled loading losses.
Detailed Loading Losses By Component Group
Select a component group filter by clicking on the drop-down. By default, the filter is set for "All Pollutants".
Changing the component group filter does not change the results displayed in the Emissions Summary frame
Group Losses
Summary of the losses for the component group over the given time period
Loading Loss
Total emissions of stored liquid component as a result of vapor displacement and generation during loading
operations
Reports (Tab)
Use this tab to view, print or export automatically generated reports.
Reports for each tank type are available for use.
Loss values are reported for all pollutants. This cannot be changed.
Settings (Tab)
Use this tab to change thermo or display settings related to Tank Emissions.
Thermo Settings
Use VMGThermo
When selected, fluid properties are calculated rigorously using the property package that is linked to the sep-
arator. They are not estimated from factors and ideal assumptions as in AP-42.
It is not recommended to change this setting as ideal assumptions will be made based on Ch. 7 of the AP-42
manual. Components that can be used within Tank Emissions will also be limited to the ones specified in the
AP-42 manual only.
Display Settings
Display Loss In
Display emissions losses in:
l Mass Units - over the selected time basis (Field unit set = [lb])
l Flow Units - Small Mass Flow units (Field unit set = [tons(short)/y])
Tank Emissions Tab in Separator

The Tank Emissions tab in the separator form shows emissions from a Tank Emissions case.
In order for this tab to be visible, the separator must be set as a source of emissions for the case. This can be
done by selecting "Is Source of Emissions" in the Settings tab of the separator:
or, by selecting "Is Tank" in the Emissions Summary form (refer to the Emissions Summary section in the
manual):
If a Tank Emissions case does not exist when the tab is activated, one will be created automatically.
Emissions Case
Edit...
Select this button to open the Tank Emissions main form. It is equivalent to clicking on the Tank Emissions... but-
ton at the bottom of the form.
Emissions Case Dropdown

Select the emissions case to obtain results from. This case determines the results displayed in the tab and in the
Emissions Summary form.
Estimate Loading Losses

Select to estimate loading losses in the active Tank Emissions case. This will also mark the separator as a
source of loading emissions, and so include the calculated loading losses in the total Loading Emissions for the
case as reported in the Emissions Summary form.
Display
Time Basis Dropdown

Changing this variable also changes the time basis in the Emissions Summary form.


ted.
Overall Emissions
Pollutant Type
Pollutants divided into individual groups including HAPs, VOCs, BTEX, etc.
Storage Loss
Total storage emissions for each individual group. Calculated as a sum of all storage tank losses for each com-
ponent of the given pollutant type.
Loading Loss
Total loading emissions for each individual group. Calculated as a sum of all loading losses for each component
of the given pollutant type.
Detailed Emissions
Component Group Dropdown

Filter component emission results based on pollutant type. Select All Pollutants to display components for all
component groups. Select All Components to display all components (including non-pollutants).
Group Losses
Displays total emissions for each loss type based on the selected pollutant type.
Details on tank emissions loss types can be found under the Emissions (All Pollutants) heading of this section.
Component Group Losses

Displays emissions for each component and loss type based on the selected pollutant type.
Overall CO2 Equivalence
Horizon
Time horizon when calculating CO2 Equivalence. 20-Year, 100-Year and 500-Year horizons are available.
CO2Eq
Overall CO2 Equivalence. Calculated as a sum of all individual component CO2 equivalences.
Detailed CO2 Equivalence
Emissions
Emissions released by individual components based on the component flows. Calculated as a sum of all loss
types for the component. Identical to results found in Detailed Emissions.
20-Year CO2Eq
100-Year CO2Eq
500-Year CO2Eq
Emissions Summary... (link)

Select to open the Emissions Summary form.
Bibliography
Kennard, D. and Addington, L., Moving Targets: How Ever Changing Air Quality Regulations are Driving Pro-
cess Decisions, Laurence Reid Gas Condition Conference, pg 167-178 February, 2015.
U.S. Environmental Protection Agency, The Clean Air Act Amendments of 1990 List of Hazardous Air Pol-
lutants, September, 2015.
U.S. Environmental Protection Agency, Title 40 of the Code of Federal Regulations, July, 2013.
U.S. Environmental Protection Agency, Waste and cleanup risk assessment glossary, May, 2010.
Brander, M., Greenhouse Gases, CO2, CO2e, and Carbon: What Do All These Terms Mean?, ecometrica,
August, 2012.
Volume 1: Stationary Point and Area Sources, Chapter 7: Liquid Storage Tanks, November, 2006
Volume 1: Stationary Point and Area Sources, Chapter 5.2: Transportation and Marketing of Petroleum
Liquids, July, 2008
Tank Emissions Example

The following example illustrates how the tank emissions feature in VMGSim can be used to calculate the emis-
sions from a storage tank. It replicates Example 1 in Chapter 7.1 of AP-42, Fifth Edition as published by the US
Environmental Protection Agency (EPA) in November 2006.
Start a new VMGSim project using the APR for Natural Gas 2.0 property package and add the following com-
pounds: Benzene, Toluene, Cyclohexane, Ethylbenzene, Isopropanol, m-Xylene. Switch the unit set to Field.
Create a vertical separator and specify its inlet port as shown below.
Click the “Tank Emissions…” button at the bottom of the form. The emissions form will appear. An emissions
case is automatically created with a vertical fixed roof tank type.
Change the default specs if necessary to match those below.
Emissions results are calculated live. Modify the tank type or design settings to view alternatives.
Once the emissions case is set up, a case study can be conducted as with any other unit operation in the pro-
gram. For this example we will analyze the effect of turnover rate on working losses from the tank.
Go to Tools > Case Study and keep the Case Study form open. In the Tank Emissions form, right-click on the
Turnovers / Year variable and select "Add to Case Study:Case Study 1".
Add the variable as an independent variable.

Repeat with Total Loss, Standing Storage Loss, Working Loss, and Turnover Factor (the latter of which can be
found in the Detailed Emissions tab in the Working Loss frame), adding these as dependent variables.
In the Case Study form, set the Min value for Turnovers / Year to 20 and the Max to 80. Run the case study.
In the Plot tab, your Mass plot will look like the one below, indicating the effect of turnover rate on emissions -
specifically, on working losses.
Productivity Tools
Case Study
Case Study
Examples Productivity Tools\Case Study\CaseStudy Example.vmp
General
The case study is a powerful tool designed to allow the user to create a wide range of scenarios by making
changes in the independent variables (input) and monitoring the response of the dependent variables (results).
Set Up (Tab)
Create a Case Study

When a Case Study is first opened it appears with an empty Case Study named “CaseStudy 1” by default.
To create a new Case Study click on the New button.
Select a Case Study

To switch to another Case Study, select it from the Selected Case dropdown menu.
Delete a Case Study

To Delete a Case Study, first select the case to be deleted and click on the Delete Button in the right upper
corner.
Rename a Case Study

To rename a case study, type the new name in the Name field and press Enter.
Run All Combinations

If Run All Combinations is enabled, the Number of Points will be auto calculated
If Run All Combinations is disabled the Number of Points can be modified.
Number of Points
This number represents the total number of scenarios that will be calculated.
If Run All Combinations is enabled this value will be calculated and will represents the total number of possible
combinations of the Independent Variables.
If Run All Combinations is disabled, the Number of points can be modified. In this case the number of possible
combinations is fixed, and all the Independent variables will have the same number of points, where each row
will be one scenario.
Add an Independent Variable

Click on the Add button inside the Independent Variables frame. The navigation form will appear. Find the
desired variable in the right side of the navigation form and double click on it or select it and Click the OK button.
(If the variable is an Oil composition go to Add Custom Variable).
Almost any user specified variable can be used as an independent variable. One exception to this is that the
number of trays in a tower and the location of a tower feed or draw can not be independent variables.
Configure an Independent Variable

Each Independent variable must be configured, this means setting the number of points and the desired para-
meters values to be used to calculate the Dependent Variables; the configuration is set using the following para-
meters:
Min Minimum Value

Max Maximum Value
AutoSegment If enabled, auto calculates the points based on Min, Max,
Points or Delta and SegType. If not enabled, the user will be

able to enter each point.
Points Number of Points between Min and Max (can be specified or
calculated based on Max, Min and Delta)
Delta Delta between the points(can be specified or calculated
based on Min, Max and Points)
SegType Segment type, can be Linear or Logarithmic. If AutoSegment
is enabled this parameter is used to calculate the points.
The following shows an Independent Variable before being configured.
The following shows an Independent Variable after being configured.
Delete an Independent Variable

Select a variable in the Independent Variables frame by clicking on it and press the Delete button inside the
Independent Variables frame.
Add a Dependent Variable

Click on the Add button inside the Dependent Variables frame; the Navigation form will appear. Find the
desired variable in the right side of the navigation form double click on it or select it and press the OK button.
(If the variable in an Oil composition go to Add Custom Variable)
Delete an Dependent Variable

Select the variable in the Dependent Variables frame by clicking on it and press the delete button inside the
Dependent Variables frame.
Add a Custom Variable

This option is meant to be used for oil variables including assay blends or assay bulk properties or composition
variables.
Click on the Add Custom button located inside either the Independent or Dependent Variables frame and the
Custom Variable form will appear.
Set Variable Type as either an Oil Variable or Composition Variable and then select the property from the
Option menu, and Click OK to close the form.
Run the Case Study

When the message label says “Ready” press the Run button, when the calculations are finished, the label back-
ground will be green and the message “Done Solving” will appear.
Results (Tab)
To see the results go to the Results tab.
Plot (Tab)
The plots displays the results as a plot, when the case has more than 2 independent variables 3D plots and
density plots are available. The independent variables are selected as the X variable, while the dependent vari-
ables are selected as the Y variable.
Status (Tab)
While the Case Study is running the Status tab contains information regarding the progress of the case study
and the Solve Monitor (indicates if the case is solved or not).
Settings (Tab)
Parallel Processing
It is possible to speed up case study run-time by setting the case study to run in parallel in a multiprocessing
machine.
Solve in Parallel
Select to activate parallel processing mode. Starts a number of processes and sets each to solve a portion of
the points in the case study.
Update Frequency
Frequency (in seconds) to update results while the case study is running in parallel. This is also the maximum
time interval that the program will become unresponsive while the case study is running. Note that if this interval
is too small there is an inter-process communication overhead that will make the overall case study slower.
Specify Number of Processes

Select to specify the number of processes to use in the parallel solver. If not selected, it will set the number of
processes equal to the number of processor cores.
Number of Processes
The maximum number of processes to use to solve the case study. If the number of points is less than this num-
ber, the case study will run one process per point.
Case Study Example 1

In this example a Case Study will be used to determine the effects of changes in the feed conditions on the
Separator products.
Start a new VMGSim project and select the Advanced_Peng_Robinson property package with methane, eth-
ane, propane and isobutene as components.
Set the Active Unit Set to SI.
Create a material stream and change the name to Feed, specify the stream as shown below.
Create a Separator (Sep1), connect the In port to the Feed stream, then create a stream named Vap and con-
nect it to Vap port of Sep1. Next, create a stream named Liq and connect it to Liq0 port of Sep1
The PFD should be similar to the figure shown below.
Open the Case Study, Tools > Case Study…
Add the temperature of the feed as an Independent Variable. To do so, click Add inside the Independent Vari-
able frame, and select T from the In Port of the feed, as shown in the following figure.
The Case Study should now appear similar to the following figure.
Configure the variable /Feed.In.T: Min= -200, Max= -50, Points = 20. The Case Study will auto calculate 20
points between Min and Max, as shown below.
Now add 4 Dependent Variables

/Vap.In.MassFlow
/Vap.In.Fraction.Methane
/Liq.In.MassFlow
/Liq.In.Fraction.Methane
This variable can be added through the navigation form but we will input this fourth variable by following a dif-
ferent route in order to show another way of adding variables.
Open the Vap stream without closing the Case Study and right click on the mole fraction of Methane,
Select the option called “Add to Case Study: CaseStudy1” and then select the “Dependent Variable” radio
option from the “Add Variable” dialog box and press OK.
This will add the composition of methane to the dependent variables of the case study.
The list of dependent variables should look similar to the following image,
Now that the Dependent Variables have been entered, the case study is ready to run.
Press the Run button again.

When the Case Study is done solving go to the Results tab and note that the Dependent Variables have been
calculated at each point, as shown below.
Go to the Plot tab, select MassFlow from the Y Type pull-down menu and observe the mass flows of the Vap
and Liq Streams.
Change the Y Type to Fraction and observe how the methane fraction changed in the Vap Stream.
Click the Set Up tab and add another Independent Variable, Feed.In.P
Configure this variable to be Min= 50, Max = 250 and Points = 10.
Press Run Again

Now the Results tab shows 200 calculated points since the case study calculated a temperature at each pres-
sure.
The Plot shows the results in series.
Select the density plot. Choose the X variable to be the feed temperature and the Y variable to be the liquid
mass flow. Note how the feed temperature is along the x axis, the feed pressure is along the y axis and the
color of the plot dictates what the liquid flow rate is.
Select the 3D Plot and observe how the methane fraction in the Vap Stream changed with temperature and
pressure.
Case Study Example 2

In this example a Case Study will be used to determine the effects of changes in the mole fraction of a com-
ponent.
Start a new VMGSim project and select the Advanced_Peng_Robinson property package with C1, C2, C3 and
iC4 as components. Set the Active Unit Set to Field.
Create a material stream and change the name to Feed, specify the stream as shown below.
Now add a separator and connect the feed stream to it. Then connect streams to the vapour and liquid outputs
of the separator.
Now create a case study. Add the mole fraction of methane in the feed as the independent variable.
Specify the independent variable as below.
Now add the mole fraction of ethane, propane and i-butane in the feed as dependent variables. Also, add the
molar flow rates of the vapor and liquid streams as the other dependent variables.
The case can now be run.
By going to the results tab you can see how the composition of other compounds is affected by changing the
methane composition.
Notice how when the methane fraction is changed, the other compositions are normalized as they are already
specified in the feed stream. Since the feed is equimolar, the other compositions will remain having the same
compositions. Thus, notice how when the fraction of methane is 0, the composition of the other three com-
pounds is 0.3333.
Also notice how changing the feed composition changes the molar flow of the liquid and vapor. The liquid flow
rate is the highest when there is no methane, as this is the most volatile component, and the liquid flow rate
becomes zero once the time the methane composition becomes 0.36.
Optimizer
Optimizer
Examples Productivity Tools\Optimization\OptPipe.vmp
Productivity Tools\Optimization\DistOpt.vmp
Productivity Tools\Optimization\PlantOptInit.vmp
Productivity Tools\Optimization\Plant OptFinal.vmp
General
The optimizer provides for a means to find the best value of an objective function of a variable. This value can
either be maximized or minimized by adjusting specified manipulated variables. Also, constraints can be used
to keep a variable’s value between desired limits. Similar boundaries can be used for manipulated variables as
well. The optimizer performs the optimization by running a clone of the case in memory, while leaving the ori-
ginal simulation case intact.
Set Up Tab
Create an Optimizer Case
When the Optimizer is first opened a new Optimizer case named “Optimizer 1” is created by default. If addi-
tional Optimizer cases are desired, the “New” button in the upper right hand corner.
Select an Optimizer Case

To switch to another Optimizer case, select it from the Selected Case dropdown menu.
Delete an Optimizer Case

To delete an Optimizer case, first select the case to be deleted and click on the “Delete” button in the upper right
hand corner.
Clone an Optimizer Case

To create a duplicate of an Optimizer case, first select the case to be cloned and click on the “Clone” button in
the upper right hand corner.
Rename an Optimizer Case

To rename an Optimizer case, type the new name in the “Name” field and press Enter.
Objective Function
The objective function is the value that will be optimized. This is most often a self calculated value, such as cost
or total product. These values can be calculated in Excel unit operation or in a Selector Block. The optimization
problem may not contain any variables in the objective function section. This is useful when it is desired to
manipulate variables until one or more constraints are satisfied. The optimization problem may also contain
more than one variable. In this scenario, the optimizer maximizes a variable called "Total Contribution" that is
built by adding the weighted contribution of each variable in the objective function section.
Add an Objective Function
Click on the “Add” button inside the Objective Function frame. The navigation form will appear. Find the desired
variable in the right side of the navigation form and double click on it or select it and Click the OK button.
A variable can also be added directly from the unit operation forms as long as the optimizer form is opened. This
can be accomplished by doing a right click on the variable and then selecting “Add to Optimizer Case: …” from
the right click menu. This route may give you access to variables that are not shown in the Navigation form such
as profiles or string settings.
Add a Custom Objective Function

This option is meant to be used for oil variables including assay blends or assay bulk properties or composition
variables.
Click on the Add Custom button located inside any of the three variable frames and the Custom Variable form
will appear.
Set Variable Type as either an Oil Variable or Composition Variable and then select the property from the
Option menu, and Click OK to close the form.
Delete an Objective Function

In order to remove a created objective function, make sure that the objective function that is desired to be
removed is selected, and then press the “Delete” button in the upper right hand corner.
Configure an Objective Function

Each objective function must be configured, setting whether it should be maximized or minimized and dis-
playing relevant information. If multiple objective functions are used, some additional information will be shown.
These will be explained below.
Active When this box is checked, it will be included in the total

objective function calculation. By default, all variables are
active.
Name The objective function can be renamed to better describe
the specific objective function.
Path The path shows the flowsheet, unit operation and variable
used to calculate the objective function.
Mode This option provides a dropdown menu in which to select if
the objective function is minimized or maximized. The optim-
izer maximizes all values; therefore, when sent to the total
objective function contribution, minimized values are taken
as the negative of their value.
Current Value The current value of the objective function. This is the value
that is currently present in the simulation.
Weight When multiple objective functions are used, the weight of
each function shall be set. By default, the weight is one.
The objective function contribution will be the weight mul-
tiplied by the optimizer value and the sign for maximize and
minimize.
Scale The scaling value is used to adjust the contributions. This
value is only shown when the “Auto Scale” feature is turned
off. The current value will be divided by the scaling value to
give the contribution, while the optimizer value is divided by
the scaling value to give the optimizer contribution.
Optimizer Value This is the value of the objective function once optimization
has been performed.
Optimizer Con- This value is only shown if multiple objective functions are
tribution used. It is the value of the objective function that is used for
the optimized contribution. It is the value obtained from the
optimized case multiplied by the weight. If the objective
function is minimized, this value will also be taken as a neg-
ative of the weight adjusted value.
Units These are the units that the objective function is calculated
in.
Manipulated Variables
The manipulated variables are the variables that will be adjusted in order to optimize the objective function. A
manipulated variable must be a specified value in the simulation. Limits can be placed on the variables to make
sure that they stay within the required bounds.
Add a Manipulated Variable
Manipulated variables are added in a similar manner as objective functions.
Delete a Manipulated Variable

Manipulated variables are deleted in a similar manner as objective functions.
Configure a Manipulated Variable

Each manipulated variable must be configured, setting any boundaries that are set with regards to each manip-
ulated variable:
Active This performs similarly to the objective function parameter.

Name This performs similarly to the objective function parameter.
Path This performs similarly to the objective function parameter.
Lower Limit The lowest value that the manipulated variable is allowed to
reach.
Current Value The current value of the manipulated variable. This is the value
that is currently present in the simulation.
Upper Limit The highest value that the manipulated variable is allowed to
reach.
Scale This performs similarly to the objective function parameter.
Optimizer Value This performs similarly to the objective function parameter.
Units This performs similarly to the objective function parameter.
Constraints
The constraints are the variables that must be within certain limits. These have a lower limit, an upper limit or
both that they must be kept between. For example, a process temperature might have a maximum value that
must not be exceeded. These can also be equalities if both the upper limit and lower limit are kept to be the
same.
Add a Constraint
Constraints are added in a similar manner as objective functions.
Delete a Constraint
Constraints are deleted in a similar manner as objective functions.
Configure a Constraint
Each constraint must be configured, setting any boundaries that are set with regards to each manipulated vari-
able:
Active This performs similarly to the objective function parameter.

Name This performs similarly to the objective function parameter.
Path This performs similarly to the objective function parameter.
Lower Limit The lowest value that the constraint is allowed to reach.
Current Value The current value of the constraint. This is the value that is cur-
rently present in the simulation.
Upper Limit The highest value that the constraint is allowed to reach.
Scale This performs similarly to the objective function parameter.
Optimizer Value This performs similarly to the objective function parameter.
Units This performs similarly to the objective function parameter.
Run the Optimizer

When the message label says “Ready” press the “Run” button. As a minimum, a manipulated variable and at
least one constraint or objective function is required for the optimizer to be ready to run. When the optimizer is
finished, the label background will be green and the message “Done Solving” will appear.
Apply Optimizer Values as Specs

When running the optimizer, the optimization is performed by running a clone of the simulation case in memory.
Therefore, the optimal values for the manipulated variables need to be inserted into the simulation as
specifications. By pressing the “Apply Optimizer Values as Specs”, the manipulated variable values calculated
will be applied as specifications for the case. If this button is not pressed, the optimized value will not be applied
to the simulation case.
Total Contribution
When multiple objective functions are used, this value will be shown. This is the sum of the weighted and
scaled values of the objective functions using the values obtained from the flowsheet. This is the total objective
function contribution before optimization is performed. Similar to the current values shown in the separate
frames, this value will not be adjusted until the optimizer values are applied or other specifications are adjusted.
Optimized Contribution
When multiple objective functions are used, this value will be shown. This is the sum of the weighted and
scaled values of the objective functions using the optimized values. This is the total objective function con-
tribution after optimization is performed.
Status Tab
The “Status” tab, has two frames in it: 1) Progress and 2) Solve Monitor.
Progress
The “Progress” frame, shows the values of the manipulated variable for each iteration, as well as the value of
the total objective function value. Each objective function evaluation has the value of each manipulated variable
shown. These are shown in order they are shown in the Manipulated Variables frame. They are displayed as
“Opt Solving For [ ManVar1, ManVar2, ManVar3, ….]”. Following this line it will show the total objective func-
tion value for these manipulated variable values, with the iteration value as well. This is displayed as “Opt Iter-
ation ##. ObjFun = ##”. If there are any errors produced while solving an objective function, these will be shown
in this frame as well.
Solve Monitor
The solve monitor shows which unit operation is being solved, showing the iterations for any unit operation that
requires iterations to solve. If a unit operation cannot solve during optimization, it will be shown in this panel. It
will continually update as optimization is performed.
Results Tab
To see the results go to the Results tabs.
There are two main areas on the results tab: 1) The optimizer value frame and 2) the results frame.
Optimizer Values
The optimizer values frame shows the current values for the optimal value of the objective function. This frame
is live, and will continually update as the optimizer solves.
Apply Optimizer Values as Specs

This button performs the same function as the similar button on the “Set Up” tab. When running the optimizer,
the optimization is performed separately from the simulation case. Therefore, the optimal values for the manip-
ulated variables need to be inserted into the simulation as specifications. By pressing the “Apply Optimizer Val-
ues as Specs”, the manipulated variable values calculated will be applied as specifications for the case. If this
button is not pressed, the optimized value will not be applied to the simulation case. They will, however, remain
in the optimizer form until the optimizer is run again, finding the optimal values again as before.
Optimized Contribution
This is the highest value found for the total objective function contribution, while still being within the constraint
limits. Since the optimizer takes the negative of any function it wishes to minimize, all total objective function
contributions are maximized.
Manipulated Variables, Objective Functions, Constraints

The remaining values in this frame are the values for the manipulated variables, separate objective functions (if
multiple objective functions are used) and the constraints for the optimal objective function. The manipulated
variables are shown first, followed by the objective function values and lastly the constraint values.
Results
The “Results” frame shows the same information as for the “Optimizer Values”, except that it shows these val-
ues for each objective function evaluation, not just the optimal set of values. This allows the solution path to be
seen, both during and after optimization has been performed.
Settings Tab
This tab is where the main settings for the optimizer are set.
Max History Points

This is the maximum number of objective function evaluations that will be shown in the Results frame. By
default, this value is 50.
Max Iterations
This is the maximum number of iterations that will be performed. Once this value is reached, if the optimizer has
not finished solving completely, the highest total objective contribution found to that point will be displayed as
the results. By default, this value is 50.
Tolerance
Criteria to terminate optimization problem based on the change in objective function and manipulated variables.
Constraints Tolerance
Allowable constraint violation during optimization.
Optimization Method
There are 4 possible local optimization methods.
1) Interior Point - Interior point algorithm with a filter line-search method. See Wetcher, 2006 for further details.
2) Nelder-Mead – an implementation of the Simplex or Amoeba method. See Edgar et. al. (2001) for further
details
3) Powell – an optimization method that removes the need for derivatives
4) BFGS – a quasi-Newtonian method developed by Broyden, Fletcher, Goldfarb and Shanno that provides an
updating formula for the quasi-Newton method. See Edgar et. al. (2001) for further details
Gradient Perturbation
Perturbation used when calculating numerical derivatives for the gradient. This value is used with scaled vari-
ables and in general should not to be changed.
Jacobian Perturbation
Perturbation used when calculating numerical derivatives for the Jacobian of the constraints. This value is used
with scaled variables and in general should not to be changed.
Auto Scale
When using Auto Scale, the scaling factors are all set to 1. When Auto Scale is turned off, the objective func-
tions, manipulated variables and constraints can all be scaled using the “Scale” value. A scale is defined as:
Value used in optimizer = Value in flowsheet / Scale
The scale is applied to variables in internal units (VMG unit set) for the manipulated variables and constraints
and it is applied in the selected display units for the objective function.
References
A. Wächter and L. T. Biegler. On the Implementation of an Interior-Point Filter Line-Search Algorithm for
Large-Scale Nonlinear Programming. Mathematical Programming 106(1), pp. 25-57, 2006
T. Edgar, D. M. Himmelblau, L. S. Lasdon. Optimization of Chemical Process. New York, New York, McGraw
Hill (2001)
Pipe Optimization
There are several different areas in which optimization can be performed. The first example we will look at is
the optimization of a pipe. There is a cost objective function, as well a velocity constraint.
To start, we will create a case with Advanced Peng-Robinson as the property package.
We will then add triethylene glycol as the only component.
Before optimizing the case, we must first build it. This is done as usual. Our case will have a feed stream, going
through a pipe and then a pump. Therefore, first, we will create a feed stream that looks as below.
Next, we will attach a pipe to the created stream, S1. This pipe will be adiabatic and be five feet long. This will
look as below.
Lastly, add a stream leaving the pipe and attach it to a pump.
The pump will have an outlet pressure of 20.7 psia and an efficiency of 60%.
Now that our case has been created, the cost objective function must be created. The cost will be calculated
using the following formula:
where:C1 = 5.7
D = diameter (feet)
L = length (feet)
C0 = 0.5938
= pump efficiency (Fraction)

m = mass flow (lb/s)
= viscosity (lb/ft s)
3
= mass density (lb/ft )
The cost function calculation will be done using a Selector Block. Create a selector block and rename it “Cost”.
Will we now need to add the desired variables to the selector block. We will need 8 variables in the selector
block to calculate the cost. Therefore, we will need to change the “Input Count” in the upper left hand corner
from 2 to 8.
There are several ways that variables can now be added. First, we will add the coefficients C0 and C1 by enter-
ing the values directly into the selector block. To do this, enter the values, 0.5938 and 5.70 into the first two
“Value” cells in the selector block.
We can type the labels “C0” and “C1” into the “Connection” cells. This will create two signal streams labelled
“C0” and “C1”.
Now the other variables can be added to the selector block. First, we will add the pipe diameter. To do this we
will go to the Pipe1 unit operation. Then right click on the inner diameter value. Select “Copy Connection”.
Then go into the selector block and right click on the next empty value cell and select “Paste Connection
/Pipe1.Inner Diameter”.
This will add the inner diameter to the selector block. The pipe length will be added next. To do this, select
“<Browse>”.
Then select Pipe1 and the length. Pressing “OK” will add the pipe length to the selector block. Now use one of
these two methods to add the remaining variables to the selector block. All of the physical properties are of the
stream entering the pipe.
Once these are entered, the selector block should look as below.
You’ll notice that for diameter, efficiency, mass flow and viscosity, the default units are different than the
required units. By using the “Unit Name” drop down menu, these units can be changed. For example, by select-
ing the units cell next to the pump efficiency, change the units from % to fraction.
The mass flow should be changed to lb/s, with the viscosity being changed to lb/ft s and the diameter changing
from inches to feet. The selector block will then look as below.
Finally, the formula from before will now be added. The value of each variable will be obtained using the “I
[INDEX#]” format. The first value starts being indexed from 0. For example, the first value will be accessed
using I[0]. To insert the equation, we will need to change the “Selector Mode” to “Custom Equation”.
The equation below should be entered into the “Unscaled Output” box that now appears:
I[1]*(I[2]^1.3)*I[3]+0.142/32.2*(I[0]/I[4])*(I[5]^2.8)*(I[6]^0.2)*(I[7]^-2.0)*(I[2]^-4.8)*I[3]
We can now create the optimizer case. To access the optimizer, go under “Tools” and select “Optimizer”. It will
bring up the form below.
The first step is to add the objective function, which for this example will be the cost. To do this, press the “Add”
button in the Objective Function frame. Then select the Cost selector block and the “Output” in this form. Press-
ing “OK” will add this to optimizer form.
We will then want to switch the Mode from “Maximize” to “Minimize”. This is changed by using the available
drop down menu.
We will then do the same thing to add the pipe diameter as a manipulated variable.
Lastly, the velocity needs to be added as a constraint. To do this, leave the optimizer open and open the pipe
form. Going to the Profile tab, right click on the velocity value from any of the sections. Select “Add to Optim-
ization Case: Optimizer1”.
This will bring up the following form. The velocity will be chosen to be a constraint.
We will now specify the limits for the manipulated variable and the constraint as below. The velocity must be
between 3 ft/s and 8 ft/s. Also, the pipe diameter must be larger than 0.1 inches.
Now that everything has been setup, we can press the “Run” button. This will run the optimizer. After running
the optimizer, the form will look as below.
You can see that the optimizer value has now been updated. The optimal cost has changed from $355.20/year
to $13.55/year. This has changed because the diameter has been optimized to be 5.603 inches, instead of the
original 2.07 inches.
We can go to the “Results” tab to see the optimization process that occurred.
You can see the optimal case in the top frame, with the successive objective function evaluations being shown
as well. By pressing the “Apply Optimizer Values as Specs” button, the optimized diameter will be specified in
the simulation case. By returning to the Pipe1 unit operation, the changes to the pipe can now be seen.
This example gives a basic illustration of how the optimizer works. By optimizing the pipe diameter, the lowest
cost possible was able to be found. Further examples will go into more detail about how to use the optimizer.
Distillation Tower Optimization

In this example, we will optimize the desired products from a tower. The feed to the tower is pentane through
nonane, with specific flowrates of components in each product stream being optimized. As we go through the
example, we will detail the example further.
The first step is to select our property package. For this example, we will use Advanced Peng-Robinson.
Next, we will then add the necessary components. These will be: n-pentane, n-hexane, n-heptane, n-octane,
and n-nonane.
Pressing “OK” will create the property package. Now we will create the feed stream. To do this create a
stream, and specify it as below.
Note that the composition is specified on a mass basis. We will now create a distillation column and connect the
feed to it.
By default, the tower has 2 condenser draws and a bottom draw. For this example, 2 additional side draws will
need to be added. To do this, open the tower form. The first step will be to add additional stages to the tower.
To do this, press the “Add/Remove Stages” button in the upper right hand corner.
The tower has 3 stages when it is created. It will need 22 stages. There, add 22 stages below the condenser.
Enter “22” into the empty cell and press “Add”.
We will now create the necessary draws. First, we will remove the draw from the condenser vapor. To do this,
click on the “condenserV” name and press “Delete”. Since we will not be removing a condenser vapor, this
stream is no longer needed. The form will now look as below.
Next, press the “<Add>” cell in the draw frame, and then press the “…”.
This will bring up the form below. The first draw will be a liquid draw from stage 6. One more liquid draw will be
added at stage 16 as well. Repeat these steps to add that draw.
Now the form will look as below.
The feed stream needs to be moved from its current location (stage 24) to stage 11. To do this, select the
“Stage” cell under “feed” and use the drop down menu to move the feed to stage 11.
Next, we will specify the pressure. To do this, go to the “Spec/Estimates” tab and specify the stage pressures
as below.
The last step in setting up the tower will be specifying the 4 required degrees of freedom. The first specification
will be the reflux ratio. This is available to be specified in the “Viewed Specs” frame. Enter in an initial value of 7
into the “Value” cell and press Enter.
The other 3 values will be specified in the streams directly. “D” will have a flow rate of 3 lbmole/h, S1 will have a
flowrate of 2 lbmole/h and S2 will have a flowrate of 2 lbmole/h.
Once these values are entered, the tower will solve. If it does not solve automatically, press the “Solve” button
in the lower right hand corner of the tower form. After solving, the tower, with the details node of the draw
frame open, will look as below.
Now, add the material streams to the outports of the tower on the PFD and name them as shown below.
Next, we will perform the selector block calculations. There are two values that must be calculated. The first
value will be the objective function. It is the formula below:
This will be calculated by a selector block. To do this, first create a selector block and change the number of
inputs in the upper right hand corner to 5. Also, change the name to “Max”.
Now, go to each of the corresponding streams and copy the connection from the stream to the selector block.
For example, open the “D” stream. Right click on the n-pentane molar flow rate and select “Copy Connection”.
Then right click on the first value cell in the selector block and select “Paste Connection /D.In.MoleFlow.n-
Pentane”.
Repeat this process for the remaining for variables as below. Also, change the “Selector Mode” to “Sum” from
“Hand Sel”. The selector block will now look as below.
We will now create the restraints. The draw to feed ratio for the top 3 draws will be constrained between 0.1
and 0.7. Also, bottom draw to feed ratio needs to be greater than 0.05. Lastly, the reflux ratio will be between 5
and 10. To do this, go to the tower form. Here, we will create the draw to feed ratios as viewed specifications.
To do this, go to the “Spec/Estimates” tab. Press “<New>” and the “…” button in the “Viewed Specifications”
frame.
This will bring up the form below. The type will be a “Draw to Feed Ratio Spec”, as a mole flow specification.
Make sure that the correct draw is chosen for each viewed specification. This will look as below.
Now repeat for the final 3 draws, specifying the correct draw each time. The “Viewed Specifications” frame will
now look as below.
We can now set up the optimizer. The optimizer is found under the “Tools” menu in the toolbar. This will open
the optimizer form with an optimizer case automatically created.
Our first step will be to add the objective function to the optimizer. This will be the output from the selector block.
To add this to the optimizer, press the “Add” button in the Objective Function frame. This will bring up the form
below. Select the “Max” selector block and chose the “Output”
Pressing “OK” will add this variable to be the objective function. This value will be maximized, as the amount of
each component in each of the desired streams should be maximized.
Now, the reflux ratio, as well as the flowrates of each of the specified product stream will be added as manip-
ulated variables to the case. To do this, perform the same task as before, pressing the “Add” button in the
manipulated variables frame.
By selecting “T1”, we can choose the reflux ratio. We will then do a similar action to add the molar flow rates in
streams D, S1 and S2.
The reflux ratio must be between 5 and 10, with the flow rates having a minimum value of 0 lbmole/h. With
these specified, the manipulated variables look as below.
Lastly, the constraints must be added. These can be added by selecting T1 in the “Add” form, similarly as to
how the reflux ratio was added. The constraints that will be used are the draw to feed ratios for all 4 product
streams. This will look as below, once these values are added and the upper and lower limits have been added.
We can now press “Run” to solve the optimizer.
Notice that the optimizer was able to find a solution. However, if you look at the message bar, it can be seen
that it solved in 50 iterations. Since that is the default maximum number of iterations, we will need to increase
the number of iterations to make sure that the optimization has reached its final value. To do this, we will
change the number of iterations to 100. To do this, go to the “Settings” tab and “Max Iterations” to 100.
Pressing “Run” again will allow this to solve. Looking at the results, it can be seen that the same values are
achieved yet again, with the maximum number of iterations being reach again.
Since the values are similar to two decimal places for the objective function and the manipulated variables and
four decimal places for the constraints these values can be assumed to be the final values. Also, the tolerance
could be changed from 0.001 to 0.01. This would result in the optimizer solving in 72 iterations, providing the
same results as previously.
To apply the solved optimizer values press the “Apply Optimizer Values as Specs” button. This will be shown in
the “Current Value” cells of each of the corresponding frames.
Plant Optimization
The following example will go through the optimization of a power generation plant. Unlike with the other optim-
izer examples, the case is premade and ready for optimization. It can be found in the examples folder as
PlantOptInit.vmp. The price of power is $1 per watt to buy and $0.95 per watt to sell. There will also be a cost
of $100,000 for every SCMD of vapor that leaves the holding tank. Lastly, it is desired that the stream leaving
the vacuum condenser has become a saturated liquid. We will now go through the optimization of this case.
To start, open the PlantOptInit.vmp case from the “Manual Examples” folder. This will bring up the example as
below.
The objective function which calculates the profit from the power generation has already been specified. We
must now set up the optimizer. As in the previous examples, we will start by adding the objective function. First,
open the optimizer, which can be found under the “Tools” menu.
Leaving the optimizer form open, now open the form for the “Power_Balance” selector block. A value can be
added to the optimizer directly from the form once the optimizer form is open with an optimization case created.
To add the selector block output, right click on the Z value and select “Add to Optimization Case: Optimizer1”.
This will then bring up a form in which it must be chosen which variable type this value will be: Manipulated Vari-
able, Constraint or Objective Function. Select “Objective Function” and press OK.
Returning to the optimizer form, it can be seen that the selector block output value has been added to the optim-
izer form.
We will now go to the Main Pump form and add the output pressure as a manipulated variable using the right
click method shown previously.
Now repeat this process to add the mass flowrate of the “Water” stream as another manipulated variable.
The optimizer form will now look as below.
The lower limits must be specified for each manipulated variables. The lower limit for the pressure needs to be
set to be 1 atm and the lower limit for the water flowrate should be 0 kg/h.
We will now add the constraint. Using the same process as for the other variables we will add the vapor fraction
of “Return 2” as a constraint.
All of the necessary variables have been added to the optimizer.
The vapor fraction constraint will have an upper limit set to be 0. As mentioned, the vapor fraction is desired to
be 0. Since the vapor fraction cannot be less than 0, a lower limit is not required. By setting the maximum for
the vapor fraction to 0, this will keep the vapor fraction to be 0.
The last step is to go to the “Settings” tab. Both the tolerance and gradiant perturbation will be adjusted. The tol-
erance will be set to 1000 and the gradiant perturbation will be set to 0.001. Also, the number of history points
will be changed to 1000, allowing for a large number of objective function evaluations to be seen.
Now press “Run” to maximize the power production. While the optimizer is solving, go to the “Status” tab to
watch the different objective function evaluations that are performed.
Going to the results tab, it can be seen that the optimizer solved in 12 iterations.
Pressing “Apply Optimizer Values as Specs” will insert the optimized values into the simulation. This example
shows how a hard to optimize problem can be used in the optimizer. By increasing the tolerance and adjusted
the gradient perturbation, the problem was able to be optimized. If the default values had been used, this prob-
lem would not have been able to solve. This example also shows how to use a plant example to find the optimal
values. By adjusting two values, the pump pressure and the water flow rate, the most efficient setup could be
found.
Regression
Regression
Examples Productivity Tools\Regression\RegressionViscosity.vmp
General
The model regression utility is used to estimate model parameters to fit a model to experimental data. This tool
uses an optimizer to manipulate the regressed variables to minimize the total error of a model based on the
input data.
Create a Regression Case

The regression utility is accessed from the Tools menu by selecting the “Model Regression …” option.
A new Regression case called “Case1” is created by default when the form is first opened. The “New” button in
the upper right hand corner can be used to create new cases.
Select a Regression Case

To switch to another Regression case, select it from the Selected Case drop down menu.
Delete a Regression Case

To delete a Regression case, first select the case to be deleted and then click on the “Delete” button in the
upper right hand corner.
Clone a Regression Case

To create a duplicate of a Regression case, first select the case to be cloned and click on the “Clone” button in
the upper right hand corner.
Rename a Regression Case

To rename a Regression case, type the new name in the “Name” field and press Enter.
Run the Regression

When the status label says “Ready” press the “Run” button. The status label will change to “Done Solving”
once the regression is completed.
Re-Start / Stop the Regression

The button to the right of the Run button is labeled Re-Start when the regression is not running. This button is
used to restart a simulation by using the latest regressed values as opposed to starting from the current values
from the simulation. This button changes its caption to Stop when the regression is running and it is used to halt
the calculations.
Set Regressed Values as Specs

The regression is performed by running a clone of the simulation case in memory. Therefore, the optimal val-
ues for the regressed variables need to be inserted into the simulation as specifications in order to accept the
new values. This can be accomplished by clicking on the button Set Regressed Vals as Specs.
Set Up Tab
Regressed Variables
The regressed variables are the variables that will be adjusted in order to match the experimental data as good
as possible. A regressed variable must be a specified value in the simulation. Limits can be placed on the vari-
ables to make sure that they stay within the required bounds.
Add a Regressed Variable
Click on the “Add” button inside the Regressed Variables frame. The navigation form will appear. Find the
A variable can also be added directly from the unit operation forms as long as the regression form is opened.
This can be accomplished by doing a right click on the variable and then selecting “Add to Regression: …” from
as profiles or string settings. The following image shows the selection of a property from a hypothetical com-
ponent.
Delete a Regressed Variable

Select the variable to delete and the click on the Delete button from the Regressed Variables frame.
Configure a Regressed Variable

Each regressed variable can be configured further by setting any of the boundaries or a scale factor:
Active The variable forms part of the regression calculation

when this box is checked. All variables are active by
default.
Name User defined name of the variable.
Path Full name of the variable including flowsheet and unit
operation.
Lower Limit The lowest value that the regressed variable is allowed
to reach.
Current The current value of the regressed variable. This is the
Value value that is currently present in the simulation.
Upper Limit The highest value that the regressed variable is allowed
to reach.
Scale The internal algorithm converges the regressed variable
divided by the scale factor. This allows the user to define
the relative weight or importance of each regressed vari-

able. The default value of the Scale is 1.0
Optimizer Value of the regressed variable that is currently estim-
Value ated by the optimizer. Note that the regression does not
run on the active simulation. It runs on a cloned model in
memory without affecting the active simulation.
Units Units of the regressed variable
Experimental Variables
These variables contain the known data that should be matched by manipulating the regressed variables. The
variables are divided into inputs and outputs as described in the next section.
Add an Experimental Variable
Click on the “Add” button inside the Experimental Variables frame. The navigation form will appear. Find the
A variable can also be added directly from the unit operation forms as long as the regression form is opened.
This can be accomplished by doing a right click on the variable and then selecting “Add to Regression: …” from
as profiles or string settings.
Delete an Experimental Variable

Select the variable to delete and the click on the Delete button from the Regressed Variables frame.
Configure an Experimental Variable

Experimental variables may be further configured to fine tune the calculation of the objective function:
Active The variable forms part of the regression calculation

when this box is checked. All variables are active by
default.
Name User defined name of the variable.
Path Full name of the variable including flowsheet and unit
operation.
Current The current value of the variable. This is the value that is
Value currently present in the simulation.
Scale The internal algorithm converges the experimental vari-
able divided by the scale factor. This allows the user to
define the relative weight or importance of each variable.
The default value of the Scale is 1.0
Units Units of the variable
Exp. Data Tab

This tab is used to input the experimental data for the Experimental Variables. While doing the calculations, the
optimizer manipulates the regressed variables and then re-calculates the model by specifying each set of input
experimental variables in order to obtain a new set of output variables which are the compared against the out-
put experimental variables to calculate the total error of the regression.
Number of Points
Number of experimental points to be input.
Experimental Variables
List of experimental variables. They can be added directly from this tab or from the Set Up tab.
Regressed Variables
List of regressed variables. They can be added directly from this tab or from the Set Up tab.
Input Data
This grid is used to input the experimental data points. The first row called IsInput defined if the variable is an
input or an output. In the great majority of cases, the inputs are specifications in the simulation and the outputs
are calculated variables. In this case the previous figure shows an input grid that expects a set of input tem-
peratures to calculate a set of output viscosities by manipulating a viscosity parameter (the regressed variable) .
The column Active defines the experimental points that are part of the regression calculation when this box is
checked. All variables are active by default.
Plot Tab
The “Plot” tab is used to inspect the match of the calculated values to the experimental data. This tab exposes
two types of plots,
2D Series
This plot compares the output experimental data in the X axis and the output experimental data in the Y axis.
Every pair of data shows the calculated and the experimental values.
Dispersion
This plot show the dispersion of the output experimental variables with the experimental data on the X axis and
the calculated values on the Y axis.
Status Tab
The “Status” tab, has two frames in it: 1) Progress and 2) Solve Monitor.
Progress
The “Progress” frame, shows the current experimental data point being evaluated or the value of the objective
function.
Solve Monitor
The solve monitor shows which unit operation is being solved, showing the iterations for any unit operation that
requires iterations to solve. If a unit operation cannot solve during regression, it will be shown in this panel. It
will continually update as calculations are performed.
Settings Tab
This tab is where the main settings for the regression are set.
Max Iterations
This is the maximum number of iterations that will be performed. Once this value is reached, if the optimizer has
not finished solving completely, the best set of regressed variables will be used to calculate the results. By
default, this value is 50.
Tolerance
Criteria to terminate optimization problem based on the change in objective function and manipulated variables.
Constraints Tolerance
Allowable constraint violation during optimization.
Optimization Method
There are 4 possible local optimization methods.
1) Interior Point - Interior point algorithm with a filter line-search method. See Wetcher, 2006 for further details.
2) Nelder-Mead – an implementation of the Simplex or Amoeba method. See Edgar et. al. (2001) for further
details
3) Powell – an optimization method that removes the need for derivatives
4) BFGS – a quasi-Newtonian method developed by Broyden, Fletcher, Goldfarb and Shanno that provides an
updating formula for the quasi-Newton method. See Edgar et. al. (2001) for further details
Objective Function Type

Defines how the objective function is built.
Least Squares
The objective function is built as follows,
Objective Function = Sum( [ (Exp_i – Calc_i) / Scale] ^ 2 ).
Absolute Error
Objective Function = Sum( | (Exp_i – Calc_i) / Scale | ).
Least Squares (log)

Objective Function = Sum( [ log(Exp_i / Calc_i) / Scale ] ^ 2 )
where log is the natural logarithm.
This function shape is undefined for negative or zero values and it will not proceed if any of the experimental val-
ues are negative or zero. The regression will also stop when a negative or zero value is calculated.
This function is recommended when working with properties that only use positive values, i.e. Viscosity, Molecu-
lar weight, Density, Absolute temperature, etc.
Gradient Perturbation
Perturbation used when calculating numerical derivatives for the gradient. This value is used with scaled vari-
ables and in general should not be changed.
Jacobian Perturbation
Perturbation used when calculating numerical derivatives for the Jacobian of the constraints. This value is used
with scaled variables and in general should not be changed.
Auto Scale
When using Auto Scale, the scaling factors are all set to 1. When Auto Scale is turned off, the objective func-
tions, manipulated variables and constraints can all be scaled using the “Scale” value. A scale is defined as:
Value used in optimizer = Value in flowsheet / Scale
The scale is applied to variables in internal units (VMG unit set) for the manipulated variables and constraints
and it is applied in the selected display units for the objective function.
Results Tab
To see the results go to the Results tabs.
There are two main areas on the results tab: 1) The regressed values and 2) the results frame.
Regressed Values
These are the optimal values that minimize the error in the experimental data. These values are only applied to
the actual simulation case until the Set Regressed Vals as Specs button is pressed.
Results
The “Results” frame contains a summary of the experimental data and the calculated data when using the
regressed values. The data includes absolute errors and percent errors.
Specify Active Exp. Data

This button is used to specify the selected experimental set into the current simulation.
Notes Tab
A rich text editor where the user can store notes related to the utility.
References
A. Wächter and L. T. Biegler. On the Implementation of an Interior-Point Filter Line-Search Algorithm for
Large-Scale Nonlinear Programming. Mathematical Programming 106(1), pp. 25-57, 2006
T. Edgar, D. M. Himmelblau, L. S. Lasdon. Optimization of Chemical Process. New York, New York, McGraw
Hill (2001)
Example. Viscosity Regression

This example explores the estimation of parameters to calculate viscosity of a hypothetical component. For this
example we will assume that we have a heat transfer fluid for which we have experimental data for its liquid vis-
cosity at different temperatures and we want to match it as close as possible.
To start, select SI unit set and create a case with Advanced Peng-Robinson as the property package.
Create a Hypothetical Compound called "HeatTransferFluid" with the following properties:

Molecular Weight: 252
Normal Boiling Point: 333.0 [C]
Liquid Density @ 298: 951.1 [kg/m3]
Critical Pressure: 1499.61 [kPa]

Critical Temperature: 486.8 [C]
Install the hypothetical compound and create a stream containing it.The viscosity calculations will be performed
by a stream specified as follows.
We can now create the regression case by going to the “Tools” menu and selecting “Model Regression”.
The first step is to add the regressed variables which in this case are the parameters that are used to calculate
liquid viscosity. To do this, make sure the regression form is open and then open the thermo form and double
click on the "HeatTransferFluid" to access the component form.
Once the form is open, go to the T-dep Properties tab.
Select the Liquid Viscosity property and select the LiquidViscosityA value and right click on it and select the
option “Add to Regression: Case1”.
In the dialog box select the Regressed Variable option and press OK.
The added variable will show up like this:
Repeat the same process for LiquidViscosityB, LiquidViscosityC and LiquidViscosityD.
The next step is to add the Experimental Variables. In this case we will use the temperature and viscosity from
the stream S1. To add these variables you can either use the method above and use the right click on the
stream form or use the Add button from the Regression form. The completed form looks like this:
Now we will add the experimental data into the Exp. Data tab by first changing to 35 points and the inputting
the following data:
/S1 /S1
In.T [C] In.Viscosity [Pa-s]
1 -20 1.18
2 -10 0.284
3 0 0.0995
4 10 0.0452
5 20 0.0245
6 30 0.015
7 40 0.0101
8 50 0.00718
9 60 0.00538
10 70 0.00417
11 80 0.00333
12 90 0.00272
13 100 0.00226
14 110 0.0019
15 120 0.00162
16 130 0.00139
17 140 0.00121
18 150 0.00106
19 160 0.000931
20 170 0.000824
21 180 0.000733
22 190 0.000655
23 200 0.000588
24 210 0.00053
25 220 0.00048
26 230 0.000435
27 240 0.000396
28 250 0.000362
29 260 0.000332
30 270 0.000304
31 280 0.00028
32 290 0.000258
33 300 0.000239
34 310 0.000221
35 320 0.000206
In this case the Least Squares (log) will be used as the objective function type . After selecting the objective func-
tion type, the Settings tab looks like this:
The case regression is now ready to run. Press the Run button at this point and go to the Plot tab to get a visual
representation of the status of the regression,
We can see an overlap of the calculated curve versus the experimental curve once the regression finishes solv-
ing. Observe that the Y axis of the plot in logarithmic scale.
The results tab show the looks as follows:
We can now click on Set Regressed Vals as Specs and inspect how the Viscosity estimation changes in S1.
OPC Server
VMGSim OPC Server
Example Productivity Tools\OPC Connectivity\OPCDynTest.vmp
Productivity Tools\OPC Connectivity\OPCDyn_Finished.vmp
Productivity Tools\OPC Connectivity\OPCSSTest.vmp
General
OPC is the standard interface of communication among devices in the manufacturing and process industry.
The OPC foundation (http://www.opcfoundation.org/) is in charge of developing and disseminating the stand-
ards for this open connectivity technology. The VMGSim OPC Server is a separate application that exposes
VMGSim to OPC clients through theOPC Data Access 2.0 interface. This is a Windows/COM based interface.
The OPC interface allows users to access and modify virtually any variable from a VMGSim model through an
OPC client. By using a standard interface, users can leverage from third party or in-house applications that
have already been developed to access other OPC servers such as a DCS.
Getting Started
If this is the first time the OPCServer is being used, please ensure that VMGSim is running with administrative
permissions. The OPCServer will register itself the first time it is used. To start using the OPC Server, right click
on the main flowsheet in the Visio palette and select "Show Form". Once the flowsheet form is opened, select
the "VMGSim OPC Server" tab and the following form will be visible:
The first step for exposing a simulation model through the OPC server is to configure it by selecting the key vari-
ables to expose. The configuration form can be accessed through the Configure button,
The "Insert Group" variable, allows us to create a group to organize together multiple variables. Once a group
has been created, selecting the group name will allow it to be renamed.
To insert variables into the group, select the group, and press the "Insert Variable" or “Insert Multi Variables” but-
ton. The following form will appear:
Navigate through the tree, and select the desired variable to be exposed via the OPC interface. In order to
select multiple variables from a unit op, select "Insert Multi Variables" from the OPC Server Configuration form.
The following form will appear:
Here, we can select unit ops to be exposed through the OPC interface. Once the unit op has been selected, all
of the variables within the unit op will be automatically added. To add a selection of variables from one or mul-
tiple unit ops, select the "Variables" tab. The tab will be shown as follows:
Here, we can add multiple variables. The Data Groups used in this form are shared with the Summary Sets
Feature. Please refer to the Summary Sets for more details.
The "Import" and "Export" buttons on the OPC Server Configuration form, can be used save or reload con-
figurations that have been completed before. If this is the first time the OPC feature is being used, simply press
"OK" and the server configurations will be ready.
Once all the variables are set, press the "Connect" button on the flowsheet form and the OPCServer will start
and VMGSim will begin to continuously send data to the server.
Note that the VMGSim OPC Server is a separate application which can be invoked and started directly from an
OPC client (assuming the server has been registered) or from VMGSim. The simulator can be disconnected
from the server at any time and it can even be shut down without interrupting the operation of the server. The
values reported by the OPC server change their status to “Error/Undefined” when a VMGSim instance is not
providing data to the server.
Advanced Configurations
Communication between simulator and OPC Server
The OPC Server utilizes network sockets to communicate with the simulator. The default port that is being used
is TCP 8080. If there are notifications on local firewalls that the OPC Server is utilizing the network, please
grant it permission to do so. The port that the OPC Server uses can be changed in this configuration file:
%VMGSim_RootDirectory\OPCServer\VMGSim-OPCComConfig.xml
In the section with the <Port> tag, change the port number to the desired port. Please note, that even though
the software may use the network protocols, no packets will leave the machine; loopback IPs are being used.
The OPC Server may not run correctly if port is being utilized by another application.
Interacting with a running server

A running OPC server cannot change the tags that are exposed from a simulation model. The server should be
first shut down and restarted in order to do such changes. Another thing to keep in mind is that only one
instance of the simulator can be passing data to the OPC server at a time.
The process of connecting the simulator to the server involves the following steps and restrictions,
1) Register server if it is not registered yet.
2) Quit if server is already running and receiving data from another simulation instance.
3) Quit if configuration has changed and server is already running. User is responsible for stopping the
server.
4) Update server configuration if necessary and start server if necessary.
5) Start sending data from the simulator to the server.
Example
First, open the example case “VMGSimOPCServer\OPCDynTest.vmp”
This case contains a simple simulation in the dynamics engine that monitors the performance of a valve by cal-
culating flow rates based on boundary pressures, valve size and valve opening. You will need a license for the
Dynamics engine to run this example. If you do not have a license for the Dynamics engine, open the
“VMGSimOPCServer\OPCDynTestSS.vmp” project.
Next, right click on the flowsheet and select “Open Form” from the menu.
The main flowsheet form will appear; click the VMGSim OPC Server tab
Press the Configure button to configure the variables that will be exposed to the OPC interface.
Press the Insert Group button to create a new group to organize the variables. Select the group name to
rename the group.
Press the Insert Variable button and the following form will appear:
Select the desired unit op and its respective variable and click OK
Repeat this for all the variables that are to be exposed. When finished the Configuration form should look sim-
ilar to the image below:
Once all the variables have been added, press the Ok button to continue.
Next, press the Connect button to start the OPC Server. The first time that the OPC Server is run, it will register
itself on the computer. Once registered, the Is Registered field in the form will be checked.
The OPC server will then open andVMGSim will be connected and ready to serve.
Recalling and saving cases with the OPC Server

The simulator has the ability to recall and save cases with the OPC Server. This will allow users to recall and
save cases remotely. The Recall and Save tags from the OPC Server can be found in the "Main" folder. These
tags have been preconfigured into all the simulator cases. Please note, however, that if a case with a different
OPC Server configuration has been recalled, the configurations will not be changed until the server has been
restarted. To recall, simply set the tag value as the case that is to be recalled (Full path and file name) and write
the value to the OPC Server. The server will then know a case is to be recalled and start the process. Please
note that the case and path being saved will be local to the machine that the OPCServer is running on.
When using the recall variable of the OPC Server, the current case will shut down, and the recalling case will be
initiated. During this time, the server will report the qualities of the tags as "Bad". This process may take some
time on slower machines, so please be patient while the case is being recalled. Once connection has been re-
established with the new case, the server will report the tag qualities as "Good" once again. Operations can
then be resumed.
Similarly, cases can be saved remotely with the OPC Server. The save variable can be found in the "Main"
folder of the OPC Tags. Set the value of this tag to the full path and name of the case being saved. Please note
that the case and path being saved will be local to the machine that the OPCServer is running on.
Hydrocarbon Process Modelling

Oil Characterization
In this section some of the more important aspects connected to the Oil Characterization in VMGSim will be
presented.
This section starts with an overview of the Oil Characterization environment that includes an example on how to
create and install crude oils. Then, the main structure of the Oil Characterization is presented as well as the
details of the different types of characterizations by distributions available in VMGSim.
Finally, we would like to bring to your attention the Refinery Process Modeling Fundamentals section. This
section is part of this manual thanks to the kind permission of Mr. Gerald Kaes from Kaes Enterprises. Mr. Kaes
is a well known specialist in refinery modeling and optimization and this section is packed with practical inform-
ation on refining in general and simulation of refinery systems in particular. You will also find valuable inform-
ation on how some refinery issues were modeled using the PRO-II and HYSYS/HYSIM process simulators,
and this information will help you migrate simulations done using these programs into VMGSim.
Mr. Kaes can be contacted at:
Gerald L. Kaes, President
Kaes Enterprises, Inc.
522 Kingston Road
Colbert, GA 30628
Phone/FAX: (706) 788-3366
email: KAESENTER@aol.com
Cited Trademarks
PRO-II is a trademark of Simulation Sciences, Inc.
HYSIM and HYSYS are trademarks of Aspen Technology.
Characterizing and Installing Oils in VMGSim

VMGSim Oil Characterization
In this section the characterization of crude oils in VMGSim will be examined in detail and available options for
their characterization will be discussed.
Accessing the Oil Characterization Package

Start up VMGSim and click on the Thermo Model button.
The basis view will appear as shown below.
Click on the Apply button to create a property package, then click on the Oil button to access the Oil Char-
acterization environment.
The Oil Characterization package is an add-on to VMGSim. If you have not acquired this option contact your
VMG representative for an upgrade.
General Layout
The layout of the form is designed to show as much information as possible in one view, but is also allows users
to customize the view based on what is more important at the moment. The layout is divided in three sections.
The section on the left hand side is the navigation section and it is used to select and inspect the different
objects from the oil characterization: Oils, Assays or Blends. The active object is selected with the checkboxes
from the navigation form and its path is displayed on the top of the form (i.e. “Oil_1.Assay_1” in the picture dis-
played below).
The top of the middle section shows tabs with physical properties for the selected characterization style (Exper-
imental Information, Gamma Distribution or Cn Compositional Analysis), the bottom part of this section shows
the characterization results, including different types of curves and physical properties for each assay or blend
pseudo component.
The right section contains detailed bulk information data and slicing options for each object (Oil, Assay, or
Blend) .
The three sliders (2 verticals and 1 horizontal), that divide the Oil Characterization environment, can be
dragged with the mouse or can be pushed to one end or the other with the expand buttons. Clicking on a tab will
also move the slider bars to show the contents of the corresponding tab.
The bottom of the form displays two types of messages. The top one displays the status of the active object and
provides guiding information on the information that may be missing before cutting an assay or blend. The lower
message box is used to log the last operation executed in the oil characterization environment.
Oil Characterization Structure

VMGSim allows the creation of multiple Oils. Each oil can have multiple Assays, and assays can be blended
creating new assays known as Blends. This structure is shown below.
Any number of assays in an oil can be blended to create a new assay (blend). A blend is a mixture of several
assays. This is useful when assays for different products of the same petroleum are available and the com-
bination of them creates the petroleum feed going to a distillation tower.
Assays are basically made up of bulk physical properties, a distillation curve and eventually density and molecu-
lar curves. After the oil characterization package has finished processing the provided data, all the information
is captured in Pseudo Components. Pseudo components are compounds with physical properties and com-
positions determined in such a way that they can represent the provided information entered as curves and bulk
values.
Oils
This section contains all the available Oils. The buttons from this section are enabled when an oil is selected. An
oil can contain multiple assays and blends.
New
Creates a new Oil.
Delete
Deletes selected Oil.
Rename
Pops up a dialog box to prompt for a new Oil name.
Clone
Clones the selected Oil.
The oil gets cloned with all the contained assays, but the blends don’t get cloned.
Cut / Install All

Cuts and installs all the contained Assays and Blends on the selected Oil.
Use oil default methods

When this option is checked the Default Methods section becomes enabled, this section contains general
options with default values assigned when a new Assay is created.
Crack Correction
Used to specify if the cracking correction equation from the API data book is to be used. The default is disabled.
Prefix
This parameter is used to specify the prefix used to name the pseudo components generated by the Oil Char-
acterization.
Suffix
This parameter is used to specify the temperature unit used to name the pseudo components generated by the
Oil Characterization.
If an assay is characterized using the Gamma Distribution (Gamma MW Distribution option), the Prefix and
Suffix are substituted by the pseudo component Molecular Weight. If an assay is cut using the Cn Com-
positional Analysis option, then the Prefix and Suffix are substituted by the pseudo component Carbon number.
Conversion D1160
Specify the conversion method to transform D1160 distillation data into TBP distillation data. The following
methods are supported:
Edmister (Default)
API Technical Data Book 1992 (or 1988)
API Technical Data Book 1994
Conversion D2887
Specify the conversion method to transform D2887 simulated distillation data into TBP distillation data. The fol-
lowing methods are supported:

Kaes (Default)
Conversion D86
Specify the conversion method to transform D86 distillation data into TBP data. The following methods are sup-
ported:
Edmister (Default)
Oil Overview
The Oil Overview section is visible when an Oil is the Active object. This section is a summary of all the Assays
and Blends contained within the Oil and it also provides information about their inputs.
Assays
This section becomes active when an Oil is selected. Selecting an assay enables the buttons from this section
and also updates the active object from the right hand side of the form.
New
Creates a new Assay.
Delete
Deletes selected Assay.
Rename
Pops up a dialog box to prompt for a new Assay name.
Clone
Clones the selected Assay.
Status Bar
The Status Bar informs about the status of the selected assay.
Cut Button
This button will be enabled once the minimum information to characterize an assay is provided. Clicking the but-
ton will start the characterization process of the assay.
Install Button
This button will be enabled once the assay has been correctly cut. Clicking the button will install all the selected
assay pseudo components in the active Property Package.
Uninstall Button
This button will uninstall all the selected assay pseudo components from the active Property Package.
Assay Information
There are three different available styles in which an assay characterization can be performed in VMGSim:
Experimental Information, Gamma Distribution and Cn Compositional Analysis. The first one is based on a user
provided distillation curve while the other two calculate distributions from which a normal boiling point curve can
be obtained and used as a distillation curve for the characterization procedure.
Experimental Information
This section should be selected when an experimental distillation curve is available. The experimental section is
subdivided into smaller sections, in each section different type of the assay information is entered.
Distillation Curve Tab

In this tab different types of distillation curves can be entered.
Type
This drop down box is used to specify the type of the distillation curve. The distillation curve types accepted by
VMGSim are shown below.
The Chromatograph option enables the definition of assays where only compositional information of clearly
defined pure components is available.
Basis
The basis drop down box is used to specify the concentration units used to define the distillation curve. The con-
centration units accepted by VMGSim are shown below.
Estimate end T
This drop down box is used to specify the value of the 100% distilled point. Usually distillation curves are not col-
lected up to the 100% point and this option will allow to roughly estimate the value of the end point of the dis-
tillation curve based on the characteristics of the selected oil. Selecting the Heavy Oil FBP Extrapolation option
will bring a frame with variables that are needed for this extrapolation method, for more details on this pro-
cedure go to the Extrapolation of Final Boiling Point for Heavy Oils in VMGSimsection of this manual.
The default is Unknown and in this case the extrapolation method defined for the distillation curve will be used
to extrapolate the assay data to 100%.
Light Ends Tab

In this tab the lights ends information can be entered. Light ends are pure hydrocarbons that may have been
analyzed separately from the distillation curve assay, or they may have been indirectly measured by the res-
ulting distillation temperature measured by the batch distillation experiment.
Light Ends check box
Used to define if light ends are to be used in the characterization. The default is unchecked. If the box is left as
unchecked, then light ends are ignored and the low boiling point section of the distillation curve is approximated
using pseudo components. If the box is checked, then light ends and their compositions must be provided.
Light Ends in Bulk Oil Props check box
When the box is checked, it is used to employ the bulk properties for the total oil (oil + light ends); if the box is
unchecked, then the bulk properties are employed for the light ends free oil. The default is checked.
Light Ends Basis
Used to define the basis of light ends data. The options are Volume, Mass and Mole fraction and Volume, Mass
and Mole %. The default is Volume %.
Light Ends Calculation Method
Used to define the light ends calculation mode.

If Specify is selected, VMGSim will use the provided light ends to determine what fraction of the reported dis-
tillation curve should be approximated by pseudo components and what fraction will be represented by the light
end compounds. If the Auto Calculate option is selected, then VMGSim will determine the composition as well
as which light end compounds are necessary to describe the low boiling section of the distillation curve. The
Match option will normalize the provided light ends composition to match the lower boiling point fraction of the
distillation curve. The default option is Specify.
Oil Bulk vs. Temperature Tab

In this tab bulk physical properties as a function of temperature curves can be entered.
The supported curves are Density, Viscosity, Thermal Conductivity and Kinematic Viscosity. These curves
require a minimum of 2 points.
Liquid Properties Tab

In this section physical properties as a function of distilled fraction can be added. To add these curves select
them on the tree and enter the data.
The Molecular Weight and Liquid Density @ 60 F vs Distilled curves require at least 5 points.
For Viscosity, Kinematic Viscosity and Thermal Conductivity multiple curves at different temperatures can be
entered.
To add a curve, select the desired curve group, and click the Add button, or right click on the group and select
add curve.
To remove the curves, select the curve on the tree and click the delete button, or right click on the specific curve
and select remove curve.
To rename a curve, right click on the curve and select the rename option, a dialog box will appear prompting for
the new name.
Basis
The basis drop down box is used to specify the concentration units used to for the distillation axis. The options
are Volume, Mass and Mole fraction and Volume, Mass and Mole %. The default is Volume %.
T (Temperature)
Defines the temperature at which the current curve was measured. The temperature box will appear when any
Viscosity, Kinematic Viscosity or Thermal Conductivity curve is selected.
Content Curves
The content curves are used to characterize distributions associated to oils such as sulfur curves and nitrogen
curves. If elemental content curves are defined, the defined composition will be used in each pseudo com-
ponent to calculate its chemical formula when the Formula Estimation method is API/Content Curves or Con-
tent Curves for more information on the calculation of chemical formulas go to the Oil Pseudo Component
Chemical Formulas in VMGSim section of this manual.
To add a content curve click on the Add button, a dialog box with a set of predefined curve types will pop up.
For curves not listed use the User Defined type, this will allow to specify the name and set the Var Type.
To remove a curve, select it on the tree and press the delete button.
Basis
The basis drop down box is used to specify the concentration units used to for the distillation axis. The options
are Volume, Mass and Mole fraction and Volume, Mass and Mole %. The default is Volume %.
Name
This field is editable only when User Defined curve type was selected when adding the curve.
Mixing Eqn
The mixing rule defines the distribution equation.

The following mixing rules are available for the calculation of a distribution bulk value:
Mixing Rule Mixing Rule Definition

Linear Based
Ln Based
zi is the composition of the mixture
Di is the content value per component
Note that zi can have any defined concentration depending on Basis Mix Rule.
Basis Mix Rule
Define the concentration basis for mixing calculation (zi parameter).

Var Type
This field is editable only when a user defined curve was added, otherwise is predefined. This variable defines
the unit type of the curve, the options are Trace, Temperature and %.
Bulk Value
Displays the calculated bulk value of the distribution based on the input curve.
Coefficients e1 and e2
Coefficients used in the mixing equation.
Gamma Distribution
This characterization option is a flexible way of modeling C7+ (and higher) fractions is provided by Whitson’s
gamma distribution approach and it is based on the molecular weight and standard liquid density of the light
ends free fraction. This method is flexible enough to model exponential composition profiles as well as prob-
abilistic (bell-shaped) molecular weight distributions.
Gamma Distribution Tab

This tab becomes available when the Gamma Distribution option is selected.
For further information on this characterization option go to the Gamma Distribution in VMGSimsection in
this manual.
The Light Ends, Liquid Properties, Content Curves and Oil Bulk vs. Temperature tabs have the same functions
as in the Experimental Information characterization.
Cn Compositional Analysis
This technique characterizes the "plus" fraction of reservoir fluids when a compositional analysis is available.
This technique involves the use of a versatile model equation to estimate the molar distributions and molecular
weights of the "plus" fraction.
Cn Compositional Analysis Tab

This tab is available when the Cn Compositional Analysis option is selected.
For further information go to the Compositional Analysis in VMGSim section in this manual.
The Light Ends, Liquid Properties, Content Curves and Oil Bulk vs. Temperature tabs have the same functions
as in the Experimental Information and Gamma Distribution sections.
Parameter / Methods
This section contains bulk properties for the assay or blend and it also includes settings that are used to control
different aspects of the characterization procedure when cutting an assay. These values only apply to the active
assay being examined. Different assays can have different values for these characterization parameters.
Bulk Information
Liquid Density @ 60 F
This parameter allows to specify the oil average liquid density or gravity. Note that this average liquid density is
always defined in a light ends free basis. The pseudo component liquid density distribution will be adjusted to
match this average liquid density.
MW
This parameter allows to specify the oil average molecular weight. Note that this average molecular weight is
always defined in a light ends free basis. The pseudo component molecular weight distribution will be adjusted
to match this average molecular weight.
UOP K
This parameter allows to specify the oil Watson or UOP K factor. If this parameter is specified and no density
curve is specified the Watson K factor is used for the calculation of individual pseudo components liquid dens-
ities.
Average Boiling Point

This parameter allows to specify the oil average boiling point. The average boiling point is defined as described
below.
Other definitions like Volume, Molal, Weight, Cubic and Mean Average Boiling Points are calculated in the
Report section of the Oil Characterization.
Pressure
Used to specify the pressure used to collect the distillation curve data. The default is 1 atm.
NHV and NHVMass

This parameter allows to specify the oil average net heating value (NHV) in mole or mass basis. If any of these
parameters are specified, the pseudo component NHV distribution will be adjusted to match the average NHV.
If NHV is provided in mole basis, the mass bulk value is calculated using the oil average molecular weight and
the molar basis NHV value is used for the rest of the calculations. If the NHV mass basis value is provided, the
mole NHV value is calculated using the available oil average molecular weight and the NHV molar basis value
is used for the rest of the calculations. In the case of both, molar and mass basis, values are specified; the molar
basis value will override the bulk mass basis. For more information on this topic see the section Heat of Com-
bustion for Oil Pseudo Components in VMGSim.
Kinematic Visc @ 100 F and Kinematic Visc @ 210 F

These parameters allows to specify the oil bulk kinematic viscosity at 100 F and 210 F. If no viscosity values are
provided, the bulk kinematic viscosities at 100 and 210 F will be estimated using the selected liquid viscosity
estimation method from the Ranges section.
Mode for Pseudo Names

When the value of this parameter is set to Auto, the simulator builds the base name used for naming the assay
pseudo components. When this parameter is set to Specify the user can specify the base name.
Pseudo Base Name

Base name used to name the Pseudo Components created with the current Assay or Blend. The field becomes
editable when the parameter Mode for Pseudo Names is set to Specify.
Prefix
This parameter is used to specify the prefix used to name the pseudo components generated by the char-
acterization.
Suffix
This parameter is used to specify the temperature unit used to name the pseudo components generated by the
characterization.
If an assay is characterized using the Gamma Distribution (Gamma MW Distribution option), the Prefix and
Suffix are substituted by the pseudo component Molecular Weight. If an assay is cut using the Cn Com-
positional Analysis option, then the Prefix and Suffix are substituted by the pseudo component Carbon number.
Formula Est
If this parameter is set to API, the simulator will calculate the chemical formula of the assay pseudo components
based on their molecular weight and liquid density; if this parameter is set to Content Curves, the simulator will
calculate the chemical formulas based on the carbon, hydrogen, nitrogen, sulfur or oxygen content curves
provided by the user; and if this parameter is set to API/Content Curves, the simulator will provide the chem-
ical formulas using a combination of the previous two methods. For more information about the chemical for-
mula estimation methods, please refer to the Oil Pseudo Component Chemical Formulas in VMGSim
section of this manual. The default value is API/Content Curves.
Crack Correction
Used to specify if the cracking correction equation from the API data book is to be used. The default is disabled.
Conversion Methods
VMGSim can accept distillation data in several different formats. These are the methods used to translate the
different formats into a TBP distillation curve.
Conversion D1160
Specify the conversion method to transform D1160 distillation data into TBP data. The following methods are
supported:
Edmister (Default)
Conversion D2887
Specify the conversion method to transform D2887 simulated distillation data into TBP data. The following
methods are supported:
Kaes (Default)
Conversion D86
Specify the conversion method to transform D86 distillation data into TBP data. The following methods are sup-
ported:
Edmister (Default)

Conversion EFV
Specify the conversion method to transform EFV distillation data into TBP data. The following methods are sup-
ported:
API Technical Data Book 1992 (or 1988) (Default)
Inter/Extrapolation Methods
VMGSim can interpolate and extrapolate curves using different schemes. The following general options apply
to all curves.
Interpolation methods
The following interpolation methods are available for all curves:

Linear - use straight lines between points,
Quadratic - use a second degree polynomial for interpolation,
Cubic - use a cubic spline for interpolation.
The default is cubic interpolation.
Extrapolation methods
Extrapolation methods have to be defined for the low extrapolation range and for the high extrapolation range.
For distillation curves the following methods are available:
Curve - extrapolate using the interpolation curve,
Probability - extrapolate using the last two points assuming a probabilistic function distribution.
For physical properties such as molecular weight, liquid density and net heating value only the Curve option is
available.
Interpolation
Define the interpolation method to be used for distillation curves.

Low Extrapolation
Define the extrapolation method to be used for the low range for distillation curves.
High Extrapolation
Define the extrapolation method to be used for the high range for distillation curves.
MW Curve Interpolation
Define the interpolation method to be used for molecular weight curves.

MW Low Extrapolation
Define the extrapolation method to be used for the low range for molecular weight curves.
MW High Extrapolation
Define the extrapolation method to be used for the high range for molecular weight curves.
LD Curve Interpolation
Define the interpolation method to be used for density curves.

LD Low Extrapolation
Define the extrapolation method to be used for the low range for density curves.
LD High Extrapolation
Define the extrapolation method to be used for the high range for density curves.
NHV Curve Interpolation
Define the interpolation method to be used for NHV mole basis curves.
NHV Low Extrapolation
Define the extrapolation method to be used for the low range for NHV mole basis curves.
NHV High Extrapolation
Define the extrapolation method to be used for the high range for NHV mole basis curves.
NHVMass Curve Interpolation
Define the interpolation method to be used for NHV mass basis curves.
NHVMass Low Extrapolation
Define the extrapolation method to be used for the low range for NHV mass basis curves.
NHVMass High Extrapolation
Define the extrapolation method to be used for the high range for NHV mass basis curves.
Active Range / Cut Set

When cutting oils, it is sometimes necessary to change the number of pseudo components used to define the
behavior of a certain temperature range, or the estimation methods used to define the thermodynamic behavior
of pseudo components. The Active Range control allows to configure the way assays or blends are char-
acterized and how pseudo component properties are calculated in fine detail.
The range control works by defining ranges based on temperature intervals. VMGSim will determine the num-
ber of pseudo components necessary to characterize a cutting range based on the provided specifications.
Then, when calculating the pseudo component physical properties the Oil Characterization package will check
the average boiling point of the pseudo component of interest and the corresponding range it belongs to. With
this information a set of estimation methods will be defined and used for the calculation of the necessary phys-
ical properties. The existing ranges can be customized.
Note that ranges will always work based on TBP values. If the distillation data is entered using a different dis-
tillation assay that will be converted into TBP before the ranges are used.
Ranges are defined by boiling point intervals. There is no limit in the number of intervals to be defined, but com-
mon practice is 3. By default VMGSim will use intervals defined according to Kaes recommendations [1], sum-
marized in Table 1.
Table 1 Kaes recommended default values for ranges [1]
Range Num- Temperature Range Number of Pseudo-Component boil-

ber (F) cuts ing point span (F)
1 100 to 800 28 25
2 800 to 1200 8 50
3 1200 to 1600 4 100
Ranges 1, 2 and 3 define a Range Set and a range set is used to instruct the oil characterization package how
to cut an oil. Range sets are also customizable.
Sometimes an oil model can be developed with pseudo components representing smaller boiling point spans
due to large slopes of the distillation curve, or sometimes it is desired to reduce the number of pseudo com-
ponents due to a small slope of the distillation curve or to decrease the number of pseudo components when
performing computer intensive dynamic simulations.
The pseudo-component span is defined by the initial boiling point (IBP) and the final boiling point (FBP) of a
pseudo component. The pseudo-component average boiling point is determined via numerical integration of
the distillation curve between the pseudo-component IBP and FBP and the use of the mean value theorem
from elementary calculus.
These concepts are illustrated in the next figure.
Range Set
A range set is a collection of ranges. VMGSimcomes with predefined range sets designed to provide different
estimation methods depending on the fluid and experiment type as well as provide some compatibility with
other process simulation programs. VMGSimwill automatically select the most suitable Range Set for each
characterization type available in the oil environment.
Default Range Set

This range set uses temperature intervals defined according to Kaes recommendations [1] and the default
estimation methods in VMGSim.
The Default Range Set will be automatically applied when Experimental Information (TBP, D86, D1160,
D2887, EFV, Chromatograph) or Gamma Distribution (Gamma to TBP option) are the selected experiment
types.
Heavy_Oil Range Set

Four different intervals (Naphtha, Distillates, VGO and Residue) are defined in this range set to represent the
typical distillation products from heavy oils. This range set is recommended when a heavy oil or a bitumen is
characterized.
SingleRange Range Set

This range set uses only one temperature interval and the default estimation methods in VMGSim.
The SingleRange Range Set will be automatically applied when Gamma Distribution (Gamma MW Distribution
option, Fluid Oil) or Cn Compositional Analysis are selected as experiment types.
Resin-Asphaltene Range Set

This option contains only one range that defines the physical property estimation methods for resins and
asphaltenes.
The Resin-Asphaltene Range Set will be automatically applied when Gamma Distribution (Gamma MW Dis-
tribution option, Fluid Resin or Asphaltene) is selected as the experiment type.
Clone
Copy a defined range set.
Rename
Rename a range set.
Delete
Delete a range set.
Ranges
Inside the Ranges frame it can be configured how each range inside a range set will behave. Number of ranges
in a range set, the IBP and FBP of a range, the span of each pseudo-component and the estimation methods
used to calculate the pseudo component physical properties can be customized.
Add
Add a range to a range set. The new range will be added at the end.
Insert
Insert a range before the desired range.
Delete
Delete the desired range. Note that at least one range in a range set is necessary to generate pseudo com-
ponents.
Note that if the IBP and FBP of a range set covering the complete TBP distillation curve are not defined,
VMGSimwill automatically associate a range based on the closest possible match based on the pseudo-com-
ponent average boiling point.
Name
Name the selected range. The minimum number of ranges is one. For refining simulation the Default range set
using 3 ranges as recommended by Kaes [1] is usually adequate.
Number of Cuts
Define the pseudo component span based on the range IBP and FBP and the desired number of cuts. For
example, if IBP is equal to 100 F and FBP is equal to 600 F and the number of cuts is 10, then the pseudo-com-
ponent span is 50 F. The larger the number of cuts the closer the pseudo components will model the TBP dis-
tillation curve.
Cut Delta T
Set the temperature span for each pseudo-component.
Min / Max Temp

These temperatures define a range from Min Temp to Max Temp.
MW Est
This defines the desired molecular weight estimation method for the range. If molecular weight curves for the
assay are entered, this option will be ignored. If the average molecular weight for the assay was provided, the
desired estimation method will be used to generate a molecular weight versus material distilled curve. The
slope of the curve will be used, but the actual value of the individual pseudo component molecular weights will
be adjusted to honor the bulk oil molecular weight specification.
LD Est
This defines the desired standard liquid density (at 60 F) estimation method for the range. If an average liquid
density or gravity for the assay is entered, this option will be ignored. If an average gravity for the assay is given,
the desired estimation method will be used to generate a liquid density versus material distilled curve. The slope
of the curve will be used, but the actual value of the individual pseudo component liquid densities will be adjus-
ted to honor the bulk value specification.
Tc Est
This defines the desired critical temperature estimation method for the range.
Pc Est
This defines the desired critical pressure estimation method for the range.
Vc Est
This defines the desired critical volume estimation method for the range.
Acentric Est
This defines the desired acentric factor estimation method for the range.
Liq. Viscosity Est

This defines the desired liquid viscosity estimation method for the range. If liquid viscosity curves for the assay
are entered, this option will be ignored. If viscosity data points for the assay are given, the desired estimation
method will be used to generate a liquid viscosity versus material distilled curve. The slope of the curve will be
used, but the actual value of the individual pseudo component liquid viscosities will be adjusted to honor the bulk
value.
Liq. Th. Cond. Est

This defines the desired liquid thermal conductivity estimation method for the range. If liquid thermal con-
ductivity curves for the assay are provided, this option will be ignored. If liquid thermal conductivity data points
for the assay are entered, the desired estimation method will be used to generate a liquid thermal conductivity
versus material distilled curve. The slope of the curve will be used, but the actual value of the individual pseudo-
component liquid thermal conductivities will be adjusted to honor the bulk value.
Liq. Surf. Tension. Est

This defines the desired liquid surface tension estimation method for the range.
Ideal Gas Cp Est

This defines the desired ideal gas heat capacity estimation method for the range.
Estimation Methods
The proper choice of estimation methods for the characterization of pseudo-components plays a key role on the
development of accurate simulation of processes involving oils and bitumen. Usually the defaults suggested by
VMGSim will work well without further adjustments, but there are always situations where the fluid being pro-
cessed is unusual and further fine tuning will be required. It is important to emphasize the fact that all estimation
methods are empirical and their quality is bound by how close the experimental database used for the definition
of their parameters is to the actual problem of interest.
Of particular significance we should note the molecular weight (which will define the actual mass flows in the
process and actual equipment size), critical properties and acentric factor (fundamental quantities used in ther-
modynamic equilibrium and physical property calculations) and liquid viscosity. Accurate prediction of oil vis-
cosities, especially heavy oils, bitumen and mixtures of bitumen and solvent “out of the box” is virtually
impossible and lab experiments are usually recommended.
Molecular Weight
Although average boiling points and liquid densities can usually be measured accurately and inexpensively,
molecular weight is not as easily obtained. In the case of the heaviest fraction of oils and bitumen, such as the
asphaltene fraction, molecular weights are not well defined due to self-association phenomena. Molecular
weights are important to translate the results of a simulation calculation usually performed in mole into values
useful for equipment design such as mass and volume flows. Given the uncertainties related to oil char-
acterization it is impossible to choose a “right” method for molecular weight prediction. In our experience, the
Hariu-Sage, Lee-Kesler, Twu and Riazi-Daubert (API 1997) methods provide reliable estimates. Other meth-
ods are supplied for special applications.
API
This equation (API procedure 2B2.1 [2]) is a modification of the correlation developed by Riazi [3]. This equa-
tion can be applied to hydrocarbons with molecular weight ranging from 70 to 700 g/gmol, equivalent to a boil-
ing point range of 300 to 850 K, and an API gravity range of 14.4 – 93. This equation is recognized as the
standard method of estimating molecular weight of petroleum fractions in the industry.
API 1982
This is the molecular weight estimation method recommended by the 1982 version of the API Petroleum Refin-
ing handbook [4]. It is a function of the pseudo-component average boiling point and specific gravity. The
method is not recommended for fractions above C25. This method is the basis for the Coal Liquid method.
API 1997
This is the molecular weight estimation method recommended by the 1997 version of the API petroleum refin-
ing handbook [5]. The equation can be applied to hydrocarbons with molecular weight ranging from 70 to 700
g/gmol, equivalent to a boiling point range of 300 to 850 K approximately, with an average error of 3.5% for
molecular weights less than 300 g/gmol and 4.7% for molecular weights above 300 g/gmol [5].
Brule
This equation is a modification for coal fluids based on the expression given by Kesler and Lee [6]. Caution
should be exercised when extrapolating beyond a boiling temperature of 350 C because the experimental data
for this correlation were not available beyond this temperature [7].
Coal Liquid
This method was developed based on the 1982 API correlation and tuned by Gray and Gray and Holder [8] to
better match SRC-II data. It is recommended when modeling coal liquids.
Goosens
The data bank used to develop this correlation covers the carbon range of C5 – C120. Its practical application is
limited to lower weight fractions [5].
Hariu-Sage (VMGSim MW Est Default)
This method was proposed in 1969 in a pioneering work showing how data from a distillation assay could be
converted into pseudo-components for distillation simulation. The correlation is based on average boiling points
and specific gravity, and the authors claim reasonable extrapolation for fractions with boiling points over 1090 K
[9].
Lee-Kesler
This correlation was developed by Lee and Kesler [6] in the mid 1970’s in conjunction with their equation of
state and calculations of enthalpy. The correlation was developed using high molecular weight data, and its use
is recommended for boiling points up to about 750 K although it has been successfully used for higher boiling
points.
Sim-1
This correlation was designed to provide molecular weight predictions using the Hariu-Sage and Twu methods.
For boiling temperatures below 894.3 K the Hariu-Sage is used, otherwise the Twu correlation is used.
Tsang-ASPEN
A correlation based on the API gravity and boiling point temperatures [10].
Twu
Twu [11] developed a self-consistent method for the estimation of molecular weight, critical temperature, pres-
sure, volume and compressibility as well as acentric factor based on perturbation theory using n-alkanes as a
reference system. This correlation was developed using normal boiling points up to 988 K and specific gravities
up to 1.436 using actual and estimated data.
Winn-Mobil
This is a computerized version of the Winn and Mobil nomographs produced when these graphs were trans-
formed into equations by Sim and Daubert [12].
Standard Liquid Density

Standard liquid densities are important for the determination of physical properties of pseudo-components. Usu-
ally correlations for the estimation of liquid densities based on normal boiling point data are inaccurate and
biased towards the values one would find for paraffins. Usually at least a bulk density for the oil will be available
and although the correlations may not be accurate they provide a slope for the standard liquid density as a func-
tion of material distilled and can be used in conjunction with the bulk density.
Coal Liquid
Reasonable estimates for coal liquid and heavy aromatic residues densities [8].
Katz-Firoozabadi
Katz and Firoozabadi presented a series of generalized properties of single carbon number fractions [13] as
simple functions of the normal boiling point. Extrapolation beyond C45 is not recommended.
Constant UOPK (VMGSim LD Est Default)
This is the method traditionally used by refiners. VMGSim will compute the UOP (or Watson) K value for the oil,
and assume that this value is constant for the entire oil. Then based on the average boiling point (ABP) and the
definition of UOPK (K) the specific gravity (SG) is calculated. The UOPK or Watson K value is defined using the
equation below.
Note that the ABP has to be in Rankine.

Lee Kesler
Kesler and Lee developed a specific gravity correlation based on boiling point temperatures, which is valid up to
920 K [9].
Critical properties and acentric factors

Critical properties and acentric factors have a pervasive influence on thermodynamic equilibrium, volumetric
physical property estimation and calculation of residual properties used for the computation of actual physical
properties; notably enthalpy, entropy and heat capacity and used extensively in the modeling of equipment per-
formance. Although VMGSimallows to combine the estimation of critical properties and acentric factors in any
way, this may not make sense. Usually it makes sense to use the same estimation method for all the critical
properties since frequently these are studied simultaneously when developing a correlation.
Acentric factors are used to enhance the quality of vapor pressure predictions of simple cubic equations of state
and extensively used in process calculations. The use of acentric factors make equations such as APR, PR and
SRK accurate enough for process calculations. Therefore, it is important to be particularly attentive when choos-
ing an acentric factor correlation since phase equilibrium calculations are sensitive to this value.
Critical Temperature
API
Correlation adopted by the API Technical Data Book (API procedure 4D3.1) [2] based on the Riazi - Daubert
correlations [3] and recommended for hydrocarbons in the C5-C20 range.
Brule
This equation is a modification of the Cavett method to predict the critical temperatures of distillable coal-fluid
fractions [7].
Cavett
This is an older method developed by Cavett in 1962 and included for compatibility with older simulators [9].
Coal Liquid
This correlation is based on the critical properties of aromatic compounds. Tsonopoulos et al. [8] proposed this
correlation for coal liquids and aromatic-rich fractions.
Lee-Kesler
Correlation proposed in conjunction with the Lee-Kesler molecular weight correlation already presented. The
correlations are recommended by the authors for hydrocarbons in the range of C5-C50. Critical temperature
and pressure values for compounds beyond C18 were not based on actual data [9].
Nokay
In 1959, Nokay presented this correlation which introduced a simple equation form which was later shown to be
applicable to other physical properties [9].
Penn State
A correlation developed by the Pennsylvania State University [14].

Riazi-Daubert
Original Riazi-Daubert correlation from 1982 [5].

Riazi-Daubert-Heavy Oil
Recommended modification of the Riazi-Daubert equations [4] for heavy hydrocarbons. The authors suggest
that critical temperatures can be predicted with an average absolute error of 0.4% for hydrocarbons from C5 to
C50 [5].
Roess
In 1936, Roess presented this correlation. It was developed from flow data on petroleum fractions in a pion-
eering work previous to most correlation development. Its main limitation is that it should not be used for frac-
tions heavier than C20; therefore, it is not reliable for many reservoir applications [9].
Standing
This correlation was presented in 1977 for estimating critical properties of C7+ fractions. The use of molecular
weights instead of boiling points could be an advantage for characterization methods such as those proposed
by Yarborough. This correlation should be used with caution for fractions heavier than C25 [9].
Twu (VMGSim Tc Est Default)
Same method discussed in the molecular weight section designed to model the critical temperature of hydro-
carbons [11]. This method has been modified by VMG to correct its prediction when the boiling point tem-
perature is above 1000 K, this modification is based on the work of Castellanos Diaz et al. [15].
Winn -Mobil
Critical Pressure
API
Correlation adopted by the API Technical Data Book (API procedure 4D4.1) [2] based on the Riazi - Daubert
correlations [4] and recommended for hydrocarbons in the C5-C20 range.
Cavett
Coal Liquid
This correlation is based on the critical properties of aromatic compounds. Tsonopoulos et al. [7] proposed this
correlation for coal liquids and aromatic-rich fractions.
Lee-Kesler
Proposed correlations in conjunction with the molecular weight correlation already presented. The correlations
are recommended by the authors for hydrocarbons in the range of C5-C50. Critical temperature and pressure
values for compounds beyond C18 were not based on actual data [9].
Penn State
A correlation developed by the Pennsylvania State University [14].

Raizi-Daubert
Original Riazi-Daubert correlation from 1982 [5].

that critical pressures can be predicted with an AAD% of 5.8% for hydrocarbons from C5 to C50 [5].
Standing
This correlation was presented in 1977 for estimating critical properties of C7+ fractions. The use of molecular
weights instead of boiling points could be an advantage for characterization methods such as those proposed
by Yarborough. This correlation should be used with caution for fractions heavier than C25 [9].
Twu (VMGSim Pc Est Default)
Same method discussed in the molecular weight section designed to model the critical pressure of hydro-
carbons [11]. This method has been modified by VMG to correct its prediction when the boiling point tem-
perature is above 1000 K, this modification is based on the work of Castellanos Diaz et al. [15].
Winn-Mobil
Critical Volume
API
The API Technical Data Book [15] recommends the Riedel method [5] (API Procedure 4A3.1) to calculate the
critical volume of petroleum fractions based on the Lee-Kesler acentric factor correlation.
Brule
This method is a modification of the Hall-Yarbourough’s correlation based on experimental data from coal-com-
pounds [7].
Hall-Yarbourough
Predictive method based on molecular weight and specific gravity. Useful if reliable molecular weights are avail-
able as molecular weight curves, especially for heavier fractions [5].
Lee-Kesler
This property is calculated from the Lee-Kesler correlations for critical temperature and pressure as well as the
acentric and critical compressibility factors [5].
Riazi-Daubert
Original Riazi-Daubert correlation from 1982. An average error of 2.9% was observed for hydrocarbons
between C5 to C20, and it is reported that it was used successfully for fractions up to C35 [4].
that critical volumes can be predicted with an AAD% of 2.5% for hydrocarbons from C5 to C50 [5].
Twu (VMGSim Vc Est Default)
Same method discussed in the molecular weight section designed to model the critical volume of hydrocarbons
[11]. This method has been modified by VMG to correct its prediction when the boiling point temperature is
above 1000 K, this modification is based on the work of Castellanos Diaz et al. [15].
Acentric Factor
Edmister
Correlation based on the Clapeyron equation, requires normal boiling point and estimates for critical pressure
and temperature. Reported errors are between 3 and 3.5% [4].
Kesler-Lee
Correlation derived for compounds heavier than C20. It requires the UOP or Watson K value, normal boiling
point and critical temperature [5].
Korsten
An enhancement of Edmister equation [16]. The method has not been extensively evaluated.
Lee-Kesler
Acentric factor correlation proposed by Lee and Kesler based on their vapor pressure correlation work. This
method is recommended for compounds lighter than C20. Reported errors are between 1 to 1.3% [4].
Lee-Kesler-Lee (VMGSim Acentric Est Default)
Combination of Lee-Kesler method for compounds lighter than C20 and Kesler-Lee method for compounds
heavier than C20.
Twu
Same method discussed in the molecular weight section designed to model the acentric factor of hydrocarbons
[11].
Liquid Viscosity
API
Method proposed by the API [2] (API Procedure 11A4.1) based on API gravities and UOP or Watson K values.
Note that the original method was developed for kinematic viscosities, and densities are used to convert from
kinematic to dynamic viscosities used by VMGSim. The correlation is not recommended for heavy oils and
should be applied with care for API gravity < 0 or API gravity > 80, and UOPK < 10 or UOPK > 12.5. The repor-
ted average error for this correlation is between 15 and 20%.
API-VMG (VMGSim Liq. Viscosity Est Default)
This is a new liquid viscosity estimation method developed by VMG and suitable for a broad range of molecular
weight and boiling point of petroleum fractions. This correlation improves the original API correlation beyond its
limits (10 < UOPK < 12.5 and 0 < API gravity < 80). It is also based on API gravities and UOP or Watson K val-
ues as the original API correlation. The correlation parameters were regressed based on smooth extra-
polations of liquid viscosity values from the original API correlation and experimental data from different oils and
their cuts. See the Estimation of Oil Pseudo-Components Viscosities in VMGSim section for more inform-
ation on this viscosity estimation method.
Beggs-Robinson
This method is a correlation that relates viscosity, gravity and temperature and was developed by Beggs and
Robinson after observing 460 oil systems [25]. The data set for which this relationship was obtained included a
gravity range of between 16 and 58 API degrees and a temperature range of 70 to 295 F. This correlation is
recommended when for light to medium oils.
Letsou-Stiel
This method is purely predictive and based on corresponding states theory. It tends to underestimate the vis-
cosity of heavy fractions [17].
Twu
Method based on kinematic viscosities of n-paraffins from C1 to C100 and kinematic viscosities of pure com-
ponents and oils based on perturbation theory [18] similar to what was mentioned in the molecular weight sec-
tion. Errors of +/- 100% using this method have been reported [5].
Liquid Thermal Conductivity

API (VMGSim Liq. Th. Cond. Est Default)
Correlation recommended by the API Technical data Book [2] (API Procedure 12A1.2), based on Riedel’s
method.
Coal Liquid
Correlation developed by Tsonopoulos et al. [8] and based on SCR-II coal liquids. For eight coal liquids the
reported average error is about 3% [5].
Penn State
Correlation that uses the boiling point of the fraction as an input parameter and was developed by the API
group at Penn State. This equation gives an average error of about 6% [5].
Riazi-Faghri
Correlation designed to estimate the liquid thermal conductivity of liquids heavier than C5 in the temperature
range of -20 to 150 C and pressures below 35 bar. The reported range is between C5 to C22 [5].
Surface Tension
API (VMGSim Surf. Tension Est Default)
Relation suggested by the API Technical data Book [2] (API Procedure 10A3.2).
Brock-Bird
This generalized equation is widely used for the estimation of surface tensions of non-polar compounds, with
reported errors in the order of 5% for hydrocarbons [5].
Ideal Gas Heat Capacity

Ideal gas heat capacities are important for the calculation of actual enthalpies, entropies and heat capacities.
They establish the “baseline” for the calculation of thermal properties and are used in conjunction with the depar-
ture functions computed by equations of state based on individual components critical temperatures, pressures,
acentric factors and interaction parameters.
API
Relation suggested by the API Technical data Book [2] (API Procedure 7D4.2).
Brule
This correlation is a modification of the Lee-Kesler method for distillable coal fluids [7].
Cavett
Dadgostar-Shaw
Dadgostar and Shaw [20] recently developed a predictive correlation for the constant-pressure liquid heat capa-
city valid for ill-defined mixtures such as heavy oil and bitumen. This correlation is used to back calculate the
Ideal Gas heat capacity for the same type of hydrocarbons using the residual heat capacity value from the
installed property package.
Harrison-Seaton
Harrison and Seaton [21] developed an Ideal Gas Heat capacity estimation method for hydrocarbons based on
the contribution of any atomic species present in the pseudo component. This method predicts values over the
temperature range from 300 to 1500 K. This method gives numeric results only slightly inferior to more rigorous
methods and has the advantage of being general in the sense that calculations can be made for any pseudo
component.
Lee-Kesler (VMGSim Ideal Gas Cp Est Default)
This correlation was proposed by Lee and Kesler in conjunction with their method for the calculation of thermal
properties of hydrocarbons and widely used in refining [22].
Lastovka-Shaw
Laŝtovka and Shaw [23] recently developed a predictive correlation for the constant-pressure ideal gas heat
capacity valid for pure organic compounds and ill-defined mixtures such as heavy oil and bitumen. The cor-
relation is a function of temperature and the similarity variable, which is proportional to the number of atoms per
unit mass.
Twu-Black
Correlation designed for heavier hydrocarbons and coal liquids [24].
Results Section
This section present the main characterization results, including physical property curves and pseudo com-
ponent properties. This section is available when an Assay or a Blend are selected.
Pseudo Components
In this section a table containing all the pseudo components and their properties is shown including the results
from the content curves.
The physical properties included in this table are: Mole, Mass and Standard liquid volume fractions, Standard
liquid density, Molecular weight, Normal boiling point, Critical pressure, temperature and volume, Acentric
factor, Net heating value in mole and mass basis, Ideal gas heat capacity parameters, Chemical Formula and
Content Distributions.
Result Curves
In this section a number of different tables and curves are displayed.
Note that tabular data from the Curves tab can be copied and pasted into other programs.
Report
In this section a brief results summary and a report containing decisions made by VMGSim while cutting the
assays and creating the pseudo components are displayed.
Blends
This section becomes active when two or more Assays are present in the active Oil. Selecting a blend enables
the buttons from this section and also updates the active object from the right hand side of the form.
New
Creates a new Blend. This will bring a form where the assays involved in a blend can be selected, this forms
also asks for the flow ratio of each assay in the blend, the ratios can be given in Volume, Mole or Mass basis.
Click on the Blend button to create the blend.
Delete
Deletes selected Blend.
Rename
Pops up a dialog box to prompt for a new Blend name.
Clone As Assay
Clones the selected Blend as an Assay.
Status Bar
The Status Bar informs about the status of the selected Blend.
The Blends Section also allows the user to inspect the Assays inside the blends.
Cut Button
This button will be enabled once the flow rate ration of each assay involved in a blend are given. Clicking the but-
ton will start the characterization process of the blend.
Install Button
This button will be enabled once the blend has been correctly cut. Clicking the button will install all the selected
blend pseudo components in the active Property Package.
Uninstall Button
This button will uninstall all the selected blend pseudo components from the active Property Package.
Blend information
When a Blend is selected a summary of the assays inside the blend will be displayed.
The blend ratios for each assay can be modified with the Modify Blend Flows button.
References
1. Kaes, G.L.; “Refinery Process Modeling”, Athens Printing Company, Colber,GA, 2000
2. API Technical Data Book: Petroleum Refining, 5th Edition, American Petroleum Institute, 1992
3. Riazi, M.R.; “Prediction of Thermophysical Properties of Petroleum Fractions”, PhD Thesis, The
Pennsylvania State University, 1979
4. Riazi, M.R. and Daubert, T.E.; “Simplify Property Predictions”; Hydrocarbon Processing, 59, 3, 115-116,
1980
5. Riazi, M.R.; “Characterization and Properties of Petroleum Fractions”, ASTM International, West Con-
shohocken, PA, 2005
6. Kesler, M.G. and Lee, B.I.; “Improve Prediction of Enthalpy of Fractions”, Hydrocarbon Processing, 55,
3,153-158, 1976
7. Brule, M.R., Lin, C.T. Lee, L.L. and Starling, K.E.; “Multiparameter Corresponding-States Correlation of
Coal-Fluid Thermodynamic Properties”, AIChE Journal, 28, 4, 616-625, 1982
8. Tsonopoulos, C., Heidman, J.L. and Hwang, S.C.; “Thermodynamics and Transport Properties of Coal
Liquids”, John Wiley and Sons, New York, 1986
9. Whitson, C.H.; “Effect of Physical Properties Estimation on Equation of State Predictions”; SPE Journal,
SPE 11200, 1982
10. Kim, C.J., Won, D.B., Han, K.J. and Park, S.J.; “Phase Behavior and Extraction Characteristics of Poly-
cyclic Aromatic Hydrocarbon Mixtures with Hexane in Sub- and Supercritical State”, Fluid Phase Equilibria,
198, 51 – 65, 2002
11. Twu, C.H.; “An Internally Consistent Correlation for Predicting the Critical Properties and Molecular
Weights of Petroleum and Coal-Tar Liquids”; Fluid Phase Equilibria, 16, 137-150, 1984
12. Sim, W.J. and Daubert. T.E.; “Prediction of Vapor-Liquid Equilibria of Undefined Mixtures”; Industrial and
Engineering Chemistry Process Design and Development, 19, 3, 386-393, 1980
13. Katz, D.L. and Firoozabadi, A.; “Predicting Phase Behavior of Condensate/Crude Oil Systems using Meth-
ane Interaction Coefficients”; Journal of Petroleum Technology, 30, 11, 1649-1655, 1978
14. Brainard, A.J., Albal, R.S. and Bhattacharjee, S.; “The Physical, Chemical and Thermodynamic Properties
of Products from Direct Coal Liquefaction Processes”, University of Pittsburgh, 1982
15. Castellanos Diaz, O., Modaresghazani, J., Satyro, M.A. and Yarranton, H.W.; “Modeling the Phase Beha-
vior of Heavy Oil and Solvent Mixtures”, Fluid Phase Equilibria, 304, 74 – 85, 2011
16. Kostern, H.; “Internally Consistent Prediction of Vapor Pressure and Related Properties”; Industrial and
Engineering Chemistry Research, 39, 3, 813-820, 2000
17. Reid, R.C.; Prausnitz, J.M. and Poling, B.E.; “The Properties of gases and liquids”, 4th Edition, McGraw-
Hill, New York, 1986
18. Twu, C. H.; “Internally Consistent Correlation for Predicting Liquid Viscosities of Petroleum Fractions”
Industrial and Engineering Chemistry Process Design and Development, 24, 4, 1287-1297, 1985
19. Cavett, R.H., 27th Mid-year Meeting of the API Division of Refining, 42 [III], 351-357
20. Dadgostar, N. and Shaw, J.M., A Predictive Correlation for the Constant-Pressure Specific Heat capacity
of Pure and Ill-defined liquid Hydrocarbons, Fluid Phase Equilibria, 313, 211-226, 2011
21. Harrison, B.K. and Seaton, W.H.; "Solution to Missing Group Problem for Estimation of Ideal gas Heat
Capacities", Industrial & Engineering Chemistry Research, 27, 1536-1540, 1988
22. Pedersen, K.S.; Fredenslund, A.; Thomassen, P.; “Properties of Oils and Natural Gases”, Gulf Publishing,
Houston, TX, 1989
23. Laŝtovka, V. and Shaw. J.M., “Overview of Heat Capacity Models for Hydrocarbons and a Novel Ideal Gas
Model”, Petroleum Thermodynamics Research Chair Advisory Committee Meeting, University of Alberta,
November 2008
24. Black, C. and Twu, C.H.; “Correlation and Prediction of Thermodynamic Properties for heavy petroleum,
Shale Oils, Tar Sands and Coal Liquids”, AIChE Spring Meeting, Houston, March 1983
25. McKetta, J.J.; "Heat Transfer Design Methods", CRC Press, New York, 1991
VMGSim Oil Characterization Example

Start up VMGSim and click on the Thermo Model button.
The basis view will appear as shown below.
Select Advanced Peng-Robinson as the Thermodynamic Model and click the Components tab and Add
Methane, Ethane, Propane, iso-Butane and n-Butane to the selected component list. These compounds will be
used in specifying the light ends of the oil.
Click on the Apply button to create a property package and go to the Oil Characterization environment by click-
ing on the Oil button.
Click on the New button, then click on the Rename button and type the name of the oil. In this example we will
call it AtmCrudeTowerFeed.
In the Assays section click the New button, click the Rename button and name it CrudeOil.
Using the dropdown located on the top right corner, make sure that the active unit is set to Field.
VMGSim will show the Assay view on the right hand side of the oil characterization package form as shown
below.
On the Bulk Information frame go the Liquid Density @ 60 F cell. This oil has a gravity of 29 degrees API, to
specify this value, type 29 and then press the <space> key. As soon as the <space> key is pressed, the desired
unit conversion for density will be prompted, select API (60 / 60 F) and hit the <enter> key.
Note that the density provided in degrees API was converted into the VMGSim desired units, in this case lb/ft3.
Now go to the Light Ends tab and click on the Light Ends and Use Light Ends in Bulk Oil Props check
boxes. Enter the following light ends data.
Now, enter the distillation curve can be added. Click on the Distillation Curve tab.
Set Type = TBP and Basis = Volume %. Enter the distillation curve shown below.
Observe that now the Cut button is enabled, and the status bar at the bottom of the screen indicates that the cur-
rent Assay is Ready to Cut.
Press the Cut button. Note that the Status bar now states “Cut and ready to Install” and the Install button is
now enabled.
Now the Results section is the active view.
Click on Pseudo Components tab. This tab summarizes all the estimated pseudo component parameters
such as compositions, normal boiling points and critical properties.
Click on Result Curves tab. This tab gives you access to a number of different tables and plots, including all dis-
tillation, molecular weight, and liquid density curves as well as transport properties as a function of distilled frac-
tions and temperatures..
Note that tabular data from the Curves tab can be copied and pasted into other programs.
Finally click on the Report tab. The Report tab will inform about decisions made by VMGSim while cutting the
assays and creating the pseudo components.
The oil is almost ready to participate in simulation calculations. Click on the Install button.
Note that the Status bar now tells us that the oil is installed.
Click the Close button. The Thermo Model form will be prompted, then click the Components tab.
Note that the light ends and the pseudo components are now available. Since this characterization will be used
to model a crude distillation tower, where steam is used to provide energy it is necessary to add water to the sys-
tem. Click on the Compound field and add water as shown below.
Press the Add Selected button or double click on WATER and press OK.
Create a material stream and name it Crude Feed as shown below.
Click on the Connected to [In][Out] Port and select Browse
A Navigation window will appear which contain a list of items which could be connected to the material stream
including the available installed oils.
Note the Installed Oils node. Click on the AtmCrudeTower node and select CrudeOil.
Note that all the necessary information to characterize the crude is brought from the oil characterization pack-
age. At this point click OK, or double click in CrudeOil in the tree or in the Oil Assays and Blends frame.
Note that the compositions are properly specified on the material stream. Now specify a flow of 100,000 bar-
rels/day, a temperature of 450 F and a pressure of 75 psia.
Save this case as SimulatorBrand-H-ACT.vmp. This case will be used as the starting point of an Atmo-
spheric Crude Tower simulation in the Simulating and Atmospheric Crude Tower section of this manual.
Oil Characterization Structure in VMGSim

In this section we will examine how oils are characterized by VMGSim in detail. Comparisons with other sim-
ulators are provided as well. Specific items such as light ends handling, data extrapolation and smoothing, and
blending are also discussed in this section.
Assay Data Processing

The oil characterization procedure is designed to produce the following properties:
1. Light ends compositions (if any light ends are provided).
2. Pseudo components that describe the distillation curve provided from a temperature and composition
point of view.
3. A total set of compounds that will provide a fluid with the same bulk physical properties as specified by the
user.
4. Basic pseudo component data – normal boiling point, liquid density and molecular weight.
5. Derived pseudo component data for process simulation – critical properties, acentric factor, volume trans-
lation factors and viscosity parameters.
The action of cutting assay data is equivalent to finding the mathematical solution to operations 1 to 5.
Generation of TBP distillation curves

All cutting operations are performed using true boiling point distillation curves (TBP). Irrespective of how the
data has been provided (D86, D1160, D2887, EFV, Chromatograph, Gamma Distribution, Cn Compositional
Analysis) VMGSim will convert that data into a TBP distillation curve in volume basis. The important point to
keep in mind is that the data contained in the distillation curves is always dealt with as if it was a TBP in volume
basis.
Note that by volume basis, standard volume basis is meant. In all operations related to oil characterization it is
assumed that the solutions of interest are ideal, with zero volume of mixing and zero enthalpy of mixing. Light
compounds such as methane and ethane are given hypothetical liquid densities at 60 F and 1 atm as specified
by the API handbook.
In this section we will examine in detail what VMGSim Oil Characterization does once the TBP curve is avail-
able.
Calculate Light Ends Data

If light ends have been specified then the light ends specific information (such as normal boiling points, liquid
densities, and molecular weights) are collected.
Depending on the light ends specification (mass, mole or volume) the light ends mass, mole or volume fraction
is calculated. This will be reconciled with the light ends free oil fraction depending on the specified bulk oil liquid
density and bulk oil molecular weight.
At this stage, the initial boiling point for the oil in a light ends free basis can also be determined.
VMGSim ALWAYS honors the light ends data if instructed to work with light ends. The initial boiling point of the
oil is always set to the boiling point of the heaviest light end.
Collect Bulk Data and Generate Intermediate Curves

In this section VMGSim collects as much information as possible from user input data and intermediate curves
are generated to allow the determination of pseudo component data.
1. Bulk liquid density, molecular weight and Watson (UOP) K are collected. The flag Use Light Ends in
Bulk Oil Props is used to tell VMGSim if the provided bulk properties are to be used for the total oil (oil +
light ends) or for the light ends free oil. By default VMGSim will assume that the bulk properties are for the
total oil.
2. If liquid density and/or molecular weight user curves are available their data will be used, unless they
have less than 5 data points.
3. The oil average boiling point is computed based on the TBP curve.
4. If the bulk molecular weight and the bulk liquid density are present and the bulk values are for the total oil,
then the oil light ends free properties can be computed directly using the formulae 1 to 6.
5. If the bulk liquid density is provided and the bulk values are in a light ends free basis then the oil light ends
free liquid density is set to the provided bulk value.
6. If the bulk molecular weight is provided and the bulk values are in a light ends free basis then the oil light
ends free molecular weight is set to the provided bulk value.
7. If no bulk values are provided then the light ends free oil liquid density is calculated using the Katz-
Firoozabadi correlation. Using the oil average boiling point and the estimated density the Watson K factor
is computed.
8. If the Watson K factor is known and the oil light ends free liquid density is not known then the oil light ends
free liquid density is calculated using the Watson K factor.
9. If the Watson K factor is not known and the oil light ends free liquid density is known then the Watson K
factor is calculated using the oil average boiling point and the liquid density.
10. If the oil light ends free basis oil molecular weight is known and the light ends free liquid density is not
known then the oil light ends free liquid density is calculated using the Winn-Mobil correlation and the Wat-
son K factor is then calculated using the estimated liquid density.
11. If the Watson K factor is available and the light ends free liquid density is available then the problem is
over specified. An average boiling point will be computed based on the Watson K and the light ends free
liquid density provided and a warning issued. The average boiling point calculated from the bulk prop-
erties will be ignored.
12. If the Watson K factor is available and the light ends free molecular weight is available then the light ends
free liquid density is computed using the Watson K definition.
13. If the light ends free liquid density is available then the Watson K factor is computed using the Watson K
factor definition.
14. If the Watson K, light ends free liquid density and molecular weights are available then the problem is
over specified. The supplied molecular weight will be ignored and a new molecular weight based on the
Winn-Mobil will be calculated, and a warning will be issued.
15. If after 1-14 the oil light ends free basis liquid density and Watson K factor are not known an error is
issued.
16. Using a small material step (in volume, mass or mole according to the original TBP curve) a set of inter-
mediate working curves are generated to contain the necessary normal boiling point, liquid density and
molecular weight data.
i. The average boiling point is equal to the arithmetic average between the initial boiling point and the final
boiling point corresponding to the material step.
ii. If a density curve is available the density is calculated using the arithmetic average between the initial and
final amount of matter distilled. If a density curve is not available then the density is calculated using the
Watson K factor, supposed to be constant for the entire oil.
iii. If a molecular weight curve is available the molecular weight is calculated using the arithmetic average
between the initial and final amount of matter distilled. If a molecular curve is not available the molecular
weight is calculated using the average boiling point, the liquid density and any of the following user selec-
ted correlations: API1982, API1997, Lee-Kesler, Hariu-Sage, Winn-Mobil, API2B2, SIM-1, Twu, Coal
Liquid, Brule, Goosens or Tsang-ASPEN. The default is Hariu-Sage.
17. Using the physical properties generated in 16 an initial set of compositions for the oil can be generated
depending on the original basis specification of the TBP curve, see formulae 7 to 15.
18. The liquid density and molecular weight of the light ends free oil are refined until the total oil bulk prop-
erties and specified light ends amount are back calculated from the light ends and oil free light ends prop-
erties within a small tolerance.
19. Using the initial set of compositions from 17 and the physical properties from 16 a tentative set of oil light
ends free basis molecular weight and liquid density can be calculated.
20. TBP, liquid density and molecular curves in volumetric basis are generated for the light ends free basis
oil.
21. The initial and final boiling point for the light ends free basis oil are defined.
22. The initial cut point for the slicing step is defined honoring the light ends data.
Slice the light ends free basis oil

With the TBP, molecular weight and liquid density curves defined, VMGSim will discretize (or slice) the assay
data for the creation of pseudo components. The slicing procedure will also generate the necessary pseudo
component composition.
1. If light ends have been defined then the TBP curve has to be adjusted to reconcile the differences
between the light ends analysis and the measured TBP. This step is described in detail in the Light
Ends section.
2. If the assay being sliced comes from a blending then the initial volume for slicing is set to zero. This is
necessary to preserve data from assays that have initial boiling points lower than the highest light ends
boiling point. This usually happens when one assay in a blend has light ends and another assay does not
have light ends (or has lighter light ends than the former assay). If the assay being sliced does not come
from a blending procedure then the initial volume for slicing will correspond to the cumulative volume of
all light ends.
3. Then, a temperature step equal to recommended values defined by the temperature range will be taken.
The amount of volume corresponding to this temperature step will be associated with the pseudo com-
ponent defined by the initial boiling point and the initial boiling point plus the temperature step. The arith-
metic average temperature is used as the normal; boiling point temperature for this pseudo component.
The procedure above is repeated until the entire distillation curve is transformed into pseudo com-
ponents. Liquid density and molecular weight are also transferred into the pseudo component.
4. Using the liquid density and molecular weigh pseudo component data as a starting point the pseudo com-
ponent values are adjusted until the specified light ends free liquid density and molecular weight values
are met. Molar and mass fractions are recalculated during the iterative procedure.
5. With the pseudo components defined the actual pseudo component compositions are calculated taking
into account the presence of light ends.
6. The pseudo component physical properties are calculated – critical temperature, critical pressure, critical
volume, acentric factor, viscosity, liquid thermal conductivity, surface tension and ideal gas heat capacity
parameters.
7. The different types of distillation curves are generated ((D86, D1160, D2887, EFV).
8. The product distribution is generated.
Formulae
10
11
12
13
14
15
Symbols in Formulae
m - mass fraction
v - volume fraction
x -mole fraction
mw -molecular weight
-matter (mass, volume or mole)
- liquid density
Subscripts in Formulae
o - oil light ends free basis
le -light ends
T - total oil
Light Ends
When generating pseudo components used to describe oils, it is necessary to take into account light ends
information. Light ends are light pure hydrocarbons that are collected separately from the oil distillation assay,
characterized analytically and then recombined with the distillation data to provide a total characterization to the
oil. Usually light ends range from methane to butane, although sometimes heavier light ends are encountered
such as pentane and hexane.
The general practice is to assume that the light ends analysis is more accurate than the distillation analysis, and
this is what is done in the VMGSim Oil Characterization package. User input light ends data is always used in
preference to data entered via distillation curves. Since rarely the light ends data and the distillation data are
consistent, the Oil Characterization package has to reconcile the data. This section describes how this recon-
ciliation is done.
Perfect Case
We start by looking at an ideally characterized oil via a combination of light ends analysis and a TBP (true boil-
ing point) curve. In this case, the final boiling point of the light ends should coincide with the initial boiling point
from the TBP assay. This is shown in Figure 1.
Figure 1 Light ends and TBP match
In an ideal world, the initial boiling point measured when starting the distillation assay would correspond to a
temperature infinitesimally higher than the boiling temperature of the heaviest light end. This implies that there’s
perfect fractionation between the light ends and the remaining of the oil, and such degree of separation is
unlikely to happen in actuality.
Also note that the horizontal axis is defined in terms of the total amount of oil. The amount of oil actually used in
the distillation assay is equal to the total volume distilled less the amount of light ends fraction.
Distillation Curve Estimated IBP overshoots IBP from light ends

This case is illustrated in Figure 2. Note that the initial boiling point calculated using the provided distillation
curve is higher than the initial boiling point (IBP) coming from the light ends data. In this case, the initial boiling
point from the light ends data will be used, and the first 20% of the distillation curve will be “bridged” using the
IBP from the light ends and the boiling point of the 20% cut from the distillation curve.
There’s nothing special to this 20% value and the bridge between the light ends analysis and the measured dis-
tillation curve should be carefully studied, since this bridge is estimating the existence of a lighter fraction and
this in turn win reflect on the recoveries of lighter products such as naphtha when simulating a crude tower.
Figure 2 Distillation curve data overshoots IBP based on light ends
Distillation Curve Estimated IBP undershoots IBP from light ends

This case is illustrated in Figure 3. Note that the initial boiling point estimated based on the distillation assay is
lower than the initial boiling point based on the light ends analysis. In this case the IBP from the light ends ana-
lysis will be used and the distillation curve will be “stretched” from the new IBP and the measured final boiling
point. This “stretching” should be carefully studied since it corresponds to estimating the existence of a heavier
overall assay.
Figure 3 Distillation curve data undershoots IBP based on light ends
Example – Light Straight Run Naphtha Characterization

In this example we will study the characterization of a light straight run naphtha. The light end analysis is
provided in the table below, together with a D2887 assay for the entire oil.
Light ends analysis for LSR naphtha
Component Volume Fraction

Isobutane 2.282
n-butane 1.713
Isopentane 8.522
n-pentane 1.5
n-hexane 53.67
LSR D2887 assay
Mass % T, F
0 14.13
5 64.41
10 96.88
20 138.35
30 156.98
40 172.18
50 195.47
60 209.17
70 220.93
80 239.31
90 249.58
95 259.52
100 289.57
Using the data above, and honoring the light ends analysis, the initial boiling point for the assay should be 155.7
(the normal boiling point of n-hexane) at a volume distilled equal to 67.687 %. The results from the VMGSim
characterization are shown in the figure below.
Figure 4 VMGSim LSR Characterization

It is instructive to study the figure above. First of all note that the VMGSim TBP curve goes through the boiling
points of isobutane, butane, isopentane, pentane and hexane and the curve is the best continuous approx-
imation that can be obtained for the light ends. Naturally in the flowsheet simulation these components are rep-
resented exactly because they are light ends. The orange curve marked as TBP is the TBP curve calculated
based on the D2887 data.
Next, note that the initial boiling point predicted based on the assay data is approximately 50 F above the cor-
rect value based on the light ends analysis. VMGSim then creates a bridge between the initial boiling point from
the light ends analysis and the TBP curve as explained in the Light Ends section.
Now we compare the values above from values from another process simulator.
Figure 5 VMGSim LSR characterization and Brand P simulator – light ends present
From the figure above it one can see that simulator Brand P does not honor the light ends analysis. Another
interesting feature of simulator Brand P TBP is that a significant amount of mass is created between 50 and
80% distilled, although that mass does not appear in the light ends and distillation assay.
Another interesting exercise is to study the modeling of the LSR oil assuming that only the distillation curve is
available and therefore no light ends are present. From the figure below we can see that simulator Brand P
does not honor the distillation curve provided by the user.
Figure 6 LSR characterization and Brand P simulator – no light ends present
Blending Assay Data

In this section we describe in detail the oil blending procedure used in VMGSim. At the end of this section a
blend with several assays will be performed and results compared against another process simulator.
1. All assays that compose the blend have to be cut.
2. The mass fraction of each assay (wi) is calculated based on the individual assay mass flow and the over-
all blend mass flow.
3. The total amount of moles and the total amount of volume is calculated based on the individual assay val-
ues.
4. With the total mass, moles and volume the blend bulk density and molecular weight are calculated.
5. The exact mass balance for light ends is performed.
6. In a light ends free basis , mass fraction distilled versus temperature curves are generated.
7. Overall blend initial boiling point and final boiling points are calculated. It is important to note that the light
ends adjustments described in the previous section are not performed when calculating a blend. The
reason is simple. Assays that have no light ends but have distillation curves that start at temperatures
lower than the light ends final boiling point calculated based on another assay would lose mass.
8. The temperature range from blend initial boiling point to blend final boiling point is divided in a number of
equal intervals. The temperature difference between two consecutive intervals is
9. Starting at the blend initial boiling point t0 a temperature step is taken. All the mass present between
the blend initial boiling point and is collected from all assays associated to the blend weighted by the
mass fraction of each assay. This mass is supposed to boil at an average temperature given by equation
1. The amount of volume corresponding to the mass transferred from each assay is calculated using the
average density of each assay between temperatures t0 and t0 + . Similarly, the amount of moles
transferred from each assay is calculated the average molecular weight of each assay between tem-
peratures t0 and t0 + .
10. We repeat this calculation replacing t0 by t0+ until we have transferred all the mass from all the assays
into the blend.
The blending procedure is shown in Figure 7. Note that different colors show mass coming from components
that boil at the same temperature interval t0 + from all appropriate assays present in the blend. This is
shown by the individual colors – each color identifies a distillation range and each assay on the left side of Fig-
ure 7 contributes mass that belongs to that particular distillation range. That mass, properly weighted based on
the individual assays mass flow is transferred to the blend as represented by the histogram on the right side of
Figure 7.
Figure 7 Blending several assays into a single assay.
Blending Assay Data – A multiple assay case

In this example we will blend assay data from 8 different assays in order to create the feed to an atmospheric
crude tower. The assay data is provided below.
Light Straight Run

This data can be found in the section Example – Light Straight Run Naphtha Characterization
Volumetric flow = 12920 BPH
Atmospheric Gas Oil (AGO)

Bulk liquid density = 23.82 API
Mass % T, F
0 446.43
5 581.84
10 620.93
20 664.36
30 694.41
40 720.74
50 746.52
60 773.63
70 802.2
80 835.9
90 891.87
95 943.71
100 1052.9
Diesel
Mass % T, F
0 244.26
5 288.53
10 449.58
20 493.66
30 524.27
40 550.58
50 573.48
60 591.68
70 613.54
80 639.79
90 675.35
95 731.00
100 786.83
Kerosene
Mass % T, F
0 251.92
5 314.53
10 333.95
20 357.05
30 381.86
40 404.60
50 426.09
60 450.73
70 476.90
80 503.83
90 543.07
95 572.65
100 634.53
Naphtha
Mass % T, F
0 144.37
5 221.57
10 245.31
20 260.82
30 273.47
40 285.55
50 293.66
60 300.11
70 307.04
80 317.32
90 331.52
95 341.97
100 367.05
Heavy Vacuum Gas Oil

Mass % T, F
0 629.47
5 735.87
10 778.95
20 828.46
30 878.48
40 899.51
50 938.35
60 969.04
70 1000.70
80 1037.37
90 1083.43
95 1137.53
100 1208.92
Light Vacuum Gas Oil

Mass % T, F
0 439.38
5 574.22
10 618.99
20 671.74
30 709.67
40 743.76
50 777.27
60 809.67
70 853.09
80 893.55
90 969.66
95 1030.91
100 1152.73
Residue
Mass % T, F
0 774.00
5 993.00
10 1068.00
20 1168.00
30 1242.00
40 1306.00
50 1364.00
60 1419.00
70 1471.00
80 1521.00
90 1570.00
95 1594.00
100 1615.00
Each assay was entered and cut in VMGSim. We now compare each individual assay characterization with the
characterization provided by simulator Brand P.
Figure 8 Atmospheric TBP comparison – VMGSim and simulator Brand P
Figure 11 Atmospheric TBP comparison – VMGSim and simulator Brand P.

With all the different assays characterized we can proceed and blend the assay information for the creation of
the overall blend. The proportions used to blend the different assay data are defined by the individual volumetric
flows.
We start the analysis by studying the bulk properties predicted by different simulators as shown in the table
below.
Table 1 Bulk property comparison between VMGSim and other simulators
Property VMGSim Brand P Brand H

Liquid Density, lb/ft3 57.14 57.14 56.02
Molecular Weight 288.3 289.8 283.9
Watson K 11.79 11.69
It is interesting to note that simulator Brand H does not preserve mass (or volume) when blending assay data
and it is off by approximately 2% in the reported bulk density. VMGSim and simulator Brand P agree almost
exactly on all bulk properties.
Next we compare the calculated TBP for the blend.
Figure 16 Total Blend TBP – VMGSim and Simulator Brand P.
Figure 17 Total Blend TBP – VMGSim and Simulator Brand H.
It is also instructive to compare the liquid density and molecular weight curves for the blend.
Figure 18 Blend liquid density curve

Note the difference in the light part of the curve (0 to 10 % distilled) due to different smoothing techniques for the
LSR curve between VMGSim and simulator Brand P.
Figure 19 Blend molecular weight curve

Note the difference in the vacuum residue section of the curve (80 to 100% distilled).
We conclude this section with a comparison between VMGSim and simulator Brand P liquid density, Watson K
and molecular weight predictions for each assay.
Table 2 Liquid Density comparison – VMGSim and simulator Brand P
Assay VMGSim Brand P

AGO 23.82 22.943
Diesel 31.15 31.693
Kerosene 39.46 39.309
LSR 70.71 69.968
Naphtha 52.02 51.733
Vac HVGO 16.74 16.434
Vac LVGO 19.23 21.769
Residue 5.4 5.314
Table 3 Watson K comparison – VMGSim and simulator Brand P

AGO 11.655 11.614
Diesel 11.574 11.579
Kerosene 11.626 11.602
LSR 12.402 12.244
Naphtha 11.802 11.742
Vac HVGO 11.645 11.660
Vac LVGO 11.415 11.622
Residue 11.681 11.721
Table 4 Molecular weight comparison – VMGSim and simulator Brand P

AGO 326.78 (HS) 330.475
292.07 (Twu)
326.78 (Sim-1)
Diesel 219.56 (HS) 222.342
203.13 (Twu)
219.56 (Sim-1)
Kerosene 168.90 (HS) 169.473
160.96 (Twu)
168.90 (Sim-1)
LSR 98.50 (HS) 90.561
92.98 (Twu)
98.50 (Sim-1)
Naphtha 122.85 (HS) 120.953
119.68 (Twu)
122.85 (Sim-1)
Vac HVGO 448.76 (HS) 456.836
402.45 (Twu)
448.56 (Sim-1)
Vac LVGO 333.87 (HS) 346.957
297.01 (Twu)
333.87 (Sim-1)
Residue 749.10 (HS) 847.524
834.10 (Twu)
834.10 (Sim-1)
Molecular weight discussion

Since oil stocks usually do not have available molecular weight information, VMGSim Oil Characterization pack-
age has to estimate the molecular weight of each pseudo component. As shown in Figure 19, different molecu-
lar weight correlations can estimate rather different values for hydrocarbons with normal boiling points above
1000 F. For more information about the different molecular weight estimation methods in VMGSim, please
refer to the VMGSim Oil Characterization section.
Since molecular weight correlations are biased towards the data used in their creation, it is not surprising that
their predictions are different for pseudo components that have high molecular weight and density – the amount
of experimental data for these hydrocarbons is limited, and in a sense always tainted by a certain degree of
extrapolation since hydrocarbons start to experience thermal cracking at temperatures above 500 F.
If no extra information is supplied by the user, molecular weights are estimated using the pseudo component
normal boiling point and liquid density. It is important to underline that under these conditions, the molecular
weight is the physical property predicted with the greatest degree of uncertainty. If we reflect for a moment, the
normal boiling point main contain inaccuracies from the eventual conversion from a distillation assay (lets say
D1160) to TBP. Next, liquid densities are predicted, and if no density curve was provided the values calculated
will contain the TBP inaccuracies via the Watson K factor. Thus when we reach the point where molecular
weights are calculated we may be basing its calculation on two already estimated values.
In addition, molecular weight correlations are usually biased towards paraffinic stocks, and therefore molecular
weights for highly aromatic stocks may not be accurate.
Blend math inexactitudes and idiosyncrasies

It is worthwhile to point out that the VMGSim blending procedure may produce results that are apparently incon-
sistent.
Blending identical assays without light ends – when blending identical assays the assay curves are trans-
formed into mass basis and then a mass balance performed. In some cases you may see a small difference
between the pseudo component NBP from the cut assay and the cut blend. This comes from small errors intro-
duced by the mass balance procedure.
Blending identical assays with light ends – this is a more interesting problem. Since the blending pro-
cedure always honors light ends, AND the initial boiling point from the total blended oil, the light ends and total
distillation curve reconciliation that is done in a normal assay is not done in the blend, and you will notice that the
initial part of the distillation curve will be different. You can simply set the option Light Ends to NO and cut the
assay data again, and you will have the same results as calculated by the individual assays.
Gamma Distribution
Introduction
The Gamma Distribution from the Oil Characterization of VMGSim has two options: Gamma to TBP and
Gamma MW Distribution. Both options use Whitson’s [1] Gamma distribution method for estimating and char-
acterizing hydrocarbon plus fractions.
The first option in the Gamma Distribution, Gamma to TBP, uses the physical property result curves (molecular
weight, liquid density and normal boiling point) calculated from Whitson’s distribution, but resets the molecular
weight characterization procedure to a TBP distillation-type analysis. The second option, Gamma MW Dis-
tribution, produces a characterization scheme with pseudo component physical properties based on Whitson’s
molecular weight distribution.
Fundamentals
A hydrocarbon fluid analysis sometimes shows a “plus” fraction where only bulk molecular weight and bulk
liquid density are provided. Creating a single pseudo component with these average properties usually will not
provide a good platform for fluid phase modeling. In particular, the usage of a single pseudo component tends
to underestimate the molecular weight and specific gravity of the heaviest compounds that actually exist in the
plus fraction, and therefore inaccurate dew points may result.
A flexible way of modeling C7+ (and higher) fractions is provided by Whitson’s gamma distribution approach
[2]. This method is flexible enough to model exponential composition profiles as well as probabilistic (bell-
shaped) molecular weight distributions. Whitson and Brulé [2] report a good fit between fitted and experimental
cut molecular weights, with an average molecular weight error of 2.5 g/gmol for 44 oil samples.
The gamma probability density function is given by:
(1)
Where is the gamma distribution function. is defined by equation 2.
(2)
The key parameters of the gamma distribution are:
- Defines the shape of the distribution, and usually ranges between 0.5 and 2.5 for reservoir fluids, between
2.5 and 4 for resins and asphaltenes [3] and, between 25 and 30 for heavy oils and bitumen [2]. Note that if =
1.0, the distribution is exponential.
- Average molecular weight of fluid
- Minimum molecular weight found in the distribution
Although the parameter can be interpreted as the smallest molecular weight found in the distribution, from a
pragmatic point of view it can be considered an adjustable parameter that can be obtained from TBP data (if
available). Approximate values for are given by equation 3.
(3)
Practically, should be considered as a constant more than a physical property [2]. Recommended values for
oils and reservoir fluids are between 67 and 90 g/gmol and 1,500 g/gmol for resins and asphaltenes [3].
Different molecular weight distributions for several values of are shown in Figure 1.
Figure 1 Whitson gamma distribution for C7+ fraction with M = 200 g/gmol, = 90 g/gmol and several alpha
parameter values
Equation 1 is applied to the plus fraction by dividing the area under the curve into sections, as shown in Figure
2.
Figure 2 Determination of mole fraction of a component where mole fraction is equal to the area under the
curve (shown in red)
The area under the curve between and is equal to 1, and the area under a section is equal to the mole frac-
tion of a slice. Mathematically we can write the mole fraction as shown in equation 4, and the average molecular
weight of the slice is given by equation 5.
(4)
(5)
where:
(6)
(7)
(8)
(9)
(10)
With the molecular weight and compositions determined using the Gamma distribution, the pseudo component
liquid densities can be estimated using Soreide’s correlation [2] adjusted to reproduce the user specified bulk
liquid density. With the molecular weight and liquid densities defined for each fraction the normal boiling point
can then be estimated. Note that Soreide’s correlations are biased towards North Sea oil stocks.
The Gamma distribution characterization option in VMGSim has two options: Gamma to TBP and Gamma MW
Distribution. The following sections will guide the user towards their use and different features included in each
option.
Gamma to TBP
The objective of the Gamma to TBP option is to characterize an oil fraction where only bulk molecular weight
and bulk liquid density are defined. Whitson’s molar distribution is computed based on the provided α and η para-
meters and bulk molecular weight and liquid density. Figure 3 shows the Gamma Distribution form with the
necessary input parameters for the Gamma to TBP option.
Figure 3 Gamma to TBP form from the Gamma Distribution characterization

The default values for the input parameters are α = 1 and η = 90.For this option the boundary molecular weights
are chosen arbitrarily at increments of 14 for the first 49 fractions, starting with η as the first lower boundary. The
last fraction is calculated by setting the upper molecular weight boundary equal to 10,000. This produces 50 oil
fractions.
The molecular weights and compositions that are determined using the Gamma distribution model are used
together with the bulk liquid density to obtain the fractions liquid densities by means of the Soreide’s correlation
[2]. The boiling points of each fraction are then estimated from the calculated molecular weights and liquid dens-
ities with a correlation also developed by Soreide [2] based on 843 fractions from 68 reservoir C7+ samples.
Once these computations are done, a normal boiling point curve vs. cumulative fraction is obtained from the 50
defined fractions, which acts as TBP curve for the characterized oil.
The next step is to covert these results to a TBP distillation analysis. A temperature step equal to the values
defined by the temperature range in the Range Set section is taken. The amount of volume corresponding to
this temperature step is associated with a pseudo component defined by the initial boiling point and the initial
boiling point plus the temperature step. The arithmetic average temperature is used as the average tem-
perature for this pseudo component. The procedure above is repeated until the entire distillation curve is trans-
formed into pseudo components. The number of pseudo components depends on the number of cuts defined in
the Range Set section. Liquid density and molecular weight for the pseudo components are calculated based
on the respective curves obtained in the Gamma distribution. The rest of the physical properties for the pseudo
components are then calculated based on the selected estimation methods in the Range Set section.
When this option is selected, the “Default” Range Set is automatically assigned to the characterization; how-
ever, it can always be modified for any other Range Set of preference. For more information about how to set
up a Range Set, please refer to the Oil Ranges section.
Gamma MW Distribution
To access this option in the Gamma Distribution form, select Gamma MW distribution as the C7+ Char-
acterization Mode. The objective of the Gamma MW Distribution option is to characterize a hydrocarbon frac-
tion (oil, resin or asphaltene) where only bulk molecular weight and bulk liquid density are defined. The molar
distribution is computed based on the provided parameters for Whitson’s model and the bulk molecular weight
and liquid density from the hydrocarbon. Figure 4 shows the Gamma Distribution form with the necessary input
parameters for the Gamma MW Distribution option.
Figure 4 Gamma MW Distribution form from the Gamma Distribution characterization

The default values for α and η are 1 and 90, respectively. In this option the user has the liberty to set up all the
parameters to compute Whitson’s model. In this case, the boundary molecular weights are chosen based on
the given values for Gamma Max MW and Delta MW, which are the upper molecular weight boundary and the
molecular weight increment for the Gamma distribution, respectively. Default values for Gamma Max MW and
Delta MW are 10,000 and 14, respectively.
The number of pseudo components to be characterized is also an input option, the default value is 50. The min-
imum mole fraction to be computed for each pseudo component (Gamma Min Mol Fraction) can also be set up
in this form; the recommended values are between 1e-04 and 1e-38. In the case of heavy fluids, components
with very small fractions are important for phase behavior computations.
An extra feature in the Gamma MW Distribution option is the possibility of choosing different types of fluids for
characterization as shown in Figure 5. The physical properties calculations will depend on the selected fluid
type.
Figure 5 Gamma MW Distribution form showing the different types of characterization fluids
Characterization Fluid - Oil

It is important to notice that when using this option or the Gamma to TBP option the bulk molecular weight must
be between 30 and 2,000 g/gmol and the liquid density between 500 and 1,500 kg/m3.
In this case, the molecular weights and compositions are determined using the Gamma distribution model.
These results are employed along with the bulk liquid density to obtain the pseudo components liquid densities
by means of the Soreide’s correlation [2]. The boiling points of each pseudo component are then estimated
from the calculated molecular weights and liquid density with the Soreide’s [2] correlation for this property.
The number of pseudo components that was set up in the form defines the actual number of pseudo com-
ponents created for the characterization. The molecular weights, liquid densities and normal boiling points cal-
culated during the Gamma distribution are assigned to each pseudo component.
The rest of each pseudo component physical properties are calculated based on the selected estimation meth-
ods in the Range Set section. In this option the pseudo components are named accordingly to their estimated
molecular weight.
When this option is selected the “SingleRange” Range Set is automatically assigned to the characterization,
this can be modified for any other Range Set of preference.
Characterization Fluid – Resin/Asphaltene

The first difference when using the Gamma MW Distribution for this kind of fluids is that the provided bulk
molecular weight can be higher than 2,000 g/gmol. Asphaltenes can have molecular weights larger than 3,000
g/gmol [3]. The second difference is that the bulk liquid density is not a mandatory parameter to be provided for
resins or asphaltenes. If this value is missing, it will be calculated using a correlation developed by Yarranton et
al. [4] which is based on the resin or asphaltene molecular weight.
The number of pseudo components set up in the form defines the actual number of pseudo components cre-
ated for the characterization. Molecular weights and compositions are determined using the Gamma dis-
tribution model and assigned to each pseudo component. The liquid density for each pseudo component is
calculated based on Yarranton’s correlation [4]. In this case the user has the option of selecting the pseudo com-
ponents normal boiling point estimation method as shown in Figure 6.
Figure 6 Gamma MW Distribution form showing the options for the normal boiling point estimation methods for
resins and asphaltenes
The normal boiling point estimation options are Lee-Kesler [5] and Soreide [2] estimation methods. The default
method is Soreide. Once these properties are calculated, the remaining physical properties of each pseudo
component are calculated based on the selected estimation methods in the Range Set section.
The chemical family assigned to each pseudo component will be the same as the selected fluid, i.e. Resin or
Asphaltene. In this option the pseudo components are named accordingly to their estimated molecular weight.
When this option is selected the “Resin-Asphaltene” Range Set is automatically assigned to the char-
acterization, this can be modified for any other Range Set of preference.
Gamma PDF plot

A feature that complements all the options in the Gamma Distribution characterization is the addition of the
Gamma Probability Density Function (PDF) vs.molecular weight. This plot is automatically calculated once the
bulk molecular weight is entered and it is based on the specified α andη parameters.
This plot helps on visualizing the shape of the Gamma molar distribution before cutting the oil. Figure 7 shows
the different shapes of the PDF for different α values with MW = 200 g/gmol and η = 90 g/gmol.
Figure 7 Gamma PDF plot with MW = 200 g/gmol, dη = 90 g/gmol and several α parameter values (0.5, 1.0,
2.0 and 5.0)
Gamma Distribution Report

The Report tab in the Results section will show important information regarding the different steps followed to
cut an oil using the Gamma Distribution. Figure 8 shows an example of the Gamma Distribution report in the
Report tab.
This report will inform about all the Gamma distribution parameters and results as well as any error and its
cause in case that the oil was not cut. It will also tell the user about any change in the number of characterized
pseudo components. For example, in the Gamma MW Distribution, the Gamma Min Mol Fraction parameter
can be set to a value that is higher than the one computed for a specific pseudo component, then the number of
pseudo component is reset and the user is warned in the Report tab.
Figure 8 Report tab from Gamma Distribution characterization
References
1. Whitson, C.H.; “Characterizing Hydrocarbon Plus Fractions”, European Offshore Petroleum Conference &
Exhibition, London, England, October 1980
2. Whitson, C.H. and Brulé, M.R. “Phase Behavior”, SPE Monograph, Vol. 20, 2000
3. Akbarzadeh, K.; Alboudwarej, H.; Svrcek, W.Y.; and Yarranton, H.W.; “A Generalized Regular Solution
Model for Asphaltene Precipitation from n-Alkane Diluted Heavy Oils and Bitumens”, Fluid Phase Equilibria,
232, 159-170, 2005
4. Alboudwarej, H.; Akbarzadeh, K.; Beck, J.; Svrcek, W.Y.; and Yarranton, H.W.; “Regular Solution Model for
Asphaltene Precipitation from Bitumens and Solvents”, AIChE Journal, 49, 2948-2956, 2003
5. Whitson, C.H.; “Effect of Physical Properties Estimation on Equation of State Predictions”; SPE Journal,
SPE 11200, 1982
Gamma Distribution Examples

Introduction
The following examples are focused on the characterization of different types of crude oils using the Gamma
Distribution option in the oil environment from VMGSim. These examples will cover the available features in this
option as well as common scenarios that the users could face and where the best characterization option is the
Gamma distribution.
Engineers working with compositional simulation are often confronted with the problem of characterizing hydro-
carbon “plus” fractions. Usually, the heavier components of a reservoir fluid are reported as a "plus" fraction
which lumps together all these components. Molecular weight and liquid density are also often reported for the
plus fraction. However, little or no information is generally available on the components that form the plus frac-
tion. Erroneous predictions could result if the plus fraction is used as a single pseudo-component. The Gamma
Distribution option in VMGSim can be used to characterize this kind of situations; of course, the more exper-
imental data is provided, the better the characterization results are.
The scenarios in the examples include situations where only bulk properties are available for characterization,
an exact number of pseudo components are desired to define the oil, molar distributions based on equal molecu-
lar weight increments are needed or when the characterization of resins or asphaltenes is necessary.
This document will guide the user through the use of the different options available in the Gamma Distribution
characterization in VMGSim. First, it will be concentrated on examples for the Gamma to TBP option; and then,
it will go through the Gamma MW Distribution and its fluid choices.
In addition, it has been included an example that will guide the user on how to obtain pseudo components that
define the TBP of an oil for which a minimum quantity of data is provided.
Accessing the Crude oil Characterization

The following examples will be exclusively concentrated in the Gamma Distribution option in the oil environment
from VMGSim. The following steps will guide the user to start up a characterization in the Gamma Distribution
option.
Some of the examples will use light ends in the characterization. If the example indicates the use of light ends,
follow the next three steps to add light ends to the characterization.
Click on the Thermo Model button.
The Thermo Model view will appear as shown below. Select your property package of preference as the Ther-
modynamic Model. Click on the Apply button to create a property package.
Click the Components tab and add the light ends defined in the example to the selected component list. These
compounds will be used to specify the light ends of the oil.
Once the light ends have been added, click on the Oil button to access the oil characterization package.
The oil characterization package allows managing multiple oils, each with its own assay and characterization
options. Click on the New button to create an oil.
In the Assays section, click the New button. Using the dropdown button on the top right corner, change the act-
ive unit set to SI (all the examples in this section will be based on this units). VMGSimwill show the Assay view
on the right hand side of the oil characterization package form as shown below.
Click on the Gamma Distribution radio button and the characterization procedure is ready to start. Now, follow
the instructions in the next examples to characterize an oil using the Gamma Distribution.
Gamma to TBP
Sometimes process or reservoir engineers face the challenge of characterizing oils with no TBP analysis and
only few bulk properties. These examples will show how to characterize crude oils for which only bulk prop-
erties are known.
Example 1
This example goes through the characterization of a crude oil for which only the bulk molecular weight and
standard liquid density are known.
Oil Summary
MW = 157 g/gmol
Liquid Density @ 60 F = 840 kg/m3
To start the characterization, open the oil environment following the steps from the Introduction section. Add the
bulk molecular weight and standard liquid density in their respective boxes, note that these values can also be
added in the Bulk Information grid.
Note that as soon as the molecular weight is entered, the probability density function (PDF) is plotted against
the molecular weight. The shape of this curve will give the user an idea of the shape of the molar distribution for
the Gamma characterization. Changing the α and η parameters will give a different distribution. For more
details about these parameters, please refer to the Gamma Distribution section in this manual. Another
example will show how these parameters can be used to improve the characterization.
The assay is now ready to cut, click on the Cut button to see the results.
The different types of result curves can be explored in the Result Curves tab and the Pseudo Component
properties that are calculated based on the Rage Set estimation methods can be explored in the Pseudo Com-
ponent tab.
Example 2
This example goes through the characterization of a crude oil for which the light ends and, the light ends free
bulk molecular weight and standard liquid density are provided.
Oil Summary
Light Ends Vol % Vol Fraction

Ethane 0.001
Propane 0.007
Iso-Butane 0.004
Butane 0.02
Iso-Pentane 0.015
Pentane 0.023
Light Ends free MW = 170 g/gmol
Light Ends free Liquid Density @ 60 F = 857 kg/m3
To start the characterization, open the oil environment following the steps from the Introduction section.
Remember to add the light ends from the Component list in the Thermo model form.
In the Light Ends tab, click the Light Ends check box and set the Light End Basis to Volume and enter the
light ends data. Note the Light Ends in Bulk Oil Props box is not checked, since the light end properties will
not be taken into account in the properties of the light ends free fraction.
Go to the Gamma Distribution tab and add the light ends free molecular weight and standard liquid density in
their respective boxes.
Observe that the TBP curve takes into account the light ends fraction and the Molecular Weight and Liquid
Density @ 60 F curves start where the light ends fraction finish.
Example 3
This example goes through the characterization of a crude oil for which only the bulk kinematic viscosity vs. tem-
perature curve is available.
Oil Summary
T [C] Kin Visc [m2/s]

25 1.1e-04
38 5.45e- 5
50 3.3e-05
kinematic viscosity curve by selecting the Oil Bulk vs. Temperature tab and clicking the Kinematic Viscosity
radio button.
In this case, the bulk molecular weight and standard liquid density will be calculated from the kinematic vis-
cosities @ 100 and 210 F by means of the API Procedure 2B2.3 [1]. These viscosities are estimated from the
kinematic viscosity curve. The calculated molecular weight and standard liquid density are assigned to the
Gamma distribution procedure and the oil will be ready to cut. Click on the Cut button to see the results.
The Kinematic Visc vs T curve from the Result Curves tab can be selected to visualize how the experimental vis-
cosities match with the calculated results.
Example 4
Sometimes, when only bulk properties curves are available for characterization some other bulk properties can
be available. This example retakes the previous one with the addition of the bulk standard liquid density.
Oil Summary
T [C] Kin Visc [m2/s]

25 1.1e-04
38 5.45e- 5
50 3.3e-05
kinematic viscosity curve as shown in the previous example and enter the standard liquid density in the respect-
ive box from the Gamma Distribution tab.
The PDF curve was not plotted because the molecular weight was not added. In this case, only the bulk molecu-
lar weight will be calculated from the kinematic viscosities @ 100 and 210 F by means of the API Procedure
2B2.3 [1]. The calculated molecular weight is assigned to the Gamma distribution procedure and the oil will be
ready to cut. Click on the Cut button to see the results.
Example 5
This example shows how to characterize a crude oil when only dynamic and density bulk properties curves are
available.
Oil Summary
T [C] Density [kg/m3]

15.55 1008.6
50 995
100 983
150 968
T [C] Dyn Visc [Pa s]

120 0.07
150 0.025
180 0.015
210 0.008
240 0.0045
density and dynamic viscosity curves in the Oil Bulk vs. Temperature tab as shown in the previous examples.
In this case, the kinematic viscosities @ 100 and 210 F, which are necessary for the bulk molecular weight and
standard liquid density estimation, are obtained from the dynamic viscosity and density curves. This is done by
estimating the density and dynamic viscosity @ 100 and 210 F from each curve and then the kinematic viscosity
is calculated from these values.
The estimated kinematic viscosities @ 100 and 210 F are used in the API Procedure 2B2.3 [1] to obtain the bulk
molecular weight and standard liquid density, which are assigned to the Gamma distribution procedure. Then,
the oil is ready to cut. Click on the Cut button to see the results.
The Density and Viscosity vs T curves from the Result Curves tab can be selected to visualize how the exper-
imental densities and viscosities match with the calculated results.
Gamma MW Distribution
This option is very useful when molar distributions based on equal molecular weight increments are needed to
characterize a crude oil or when the characterization of resins or asphaltenes is necessary.
Example 6 Characterization Fluid - Oil

This example goes through the comparison of different characterization schemes of an oil fraction.
Oil Summary
MW = 200 g/gmol
To start the characterization, open the oil environment following the steps from the Introduction section. Select
Gamma MW Distribution as the C7+ Characterization Mode and add the bulk molecular weight and standard
liquid density in their respective boxes. Note that the Range Set is automatically set to “SingleRange”, this can
be modified by the user and it will be saved once the oil has been cut.
The assay is now ready to cut, click on the Cut button to see the results. Go to the Fraction vs Cn curve in
Mole basis to observe how the molar distribution varies across the Carbon numbers which are proportional to
the molecular weight.
Now, return to the Gamma Distribution tab and change Gamma Alpha to 2.0 and 4.0 and repeat the pro-
cedure for each α value and observe the results. The three molar distributions are plotted in the next figure (red
line α =1.0, blue line α =2.0, green line α =4.0).
It can be observed how the molar distribution changes with the value of α, when observing the pseudo com-
ponents results, it can also be noticed that the molecular weight and mole fraction of the last pseudo component
decreases when α increases.
Example 7 Characterization Fluid - Resins and Asphaltenes

This example explains the different steps to follow in the characterization of resins and asphaltenes with a
Gamma Distribution.
For this example, the only information that is needed for the characterization is the resin or asphaltene molecu-
lar weight, since the standard liquid density will be calculated using Yarranton et al. [2] correlation. If the bulk
standard liquid density is available, it can be entered to line up the standard liquid density of each pseudo com-
ponent with the bulk value. This example will be focused in the characterization of an asphaltene fraction.
Asphaltene Summary
MW = 3,100 g/gmol
Gamma MW distribution as the C7+ Characterization Mode and Asphaltene as the characterization Fluid.
Before starting the characterization procedure, it is important to note that it is necessary to change the default
values for the Whitson’s Gamma model in the Gamma Distribution form, the default values are for oil fractions
more than asphaltene fractions.
Akbarzadeh et al. [3] recommend the following Whitson’s parameter for the Gamma distribution:
α = 4.0
η = 1,000 g/gmol
Gamma Max MW = 15,000 g/gmol
Number of Pseudo Components = 30
Delta MW = 466 g/gmol
Open the oil environment following the steps from the Introduction section. Select Gamma MW Distribution as
the C7+ Characterization Mode and add the bulk molecular weight and previously indicated Whitson’s para-
meters. Note that the Range Set is automatically set to “Resin-Asphaltene”, this can be modified by the user
and it will be saved once the oil has been cut.
Go to the Fraction vs Cn curve in Mole basis to observe how the molar distribution varies across the Carbon
numbers. Note that the molar distribution follow a modal-type distribution based on the shape of the PDF func-
tion.
Characterization of oils with the minimum amount of data

Example 8 From Gamma Distribution to TBP
So far, several examples on how to use the Gamma Distribution to characterize an oil have been reviewed. The
results of this type of characterization are very interesting from an academic point of view since they can provide
lots of information due to the large quantity of pseudo components that can be created. However, from a an
industry and simulation point of view, a large number of pseudo components can increase several times the con-
vergence time of a unit operation or cause problems in the separation of the pseudo components due to small
differences in their boiling points.
The following example will show how to characterize an oil when minimum quantity of experimental data are
provided and how to obtain a reduced number of pseudo components that can define the TBP of such oil.
In this case, a heavy oil, for which the only experimental information available is the bulk kinematic viscosities at
100 and 210 F, will be characterized.
Oil Summary
Kinematic Visc @ 100 F = 1.424 e-03 m2/s
Kinematic Visc @ 210 F = 3.458 e-05 m2/s
Gamma MW distribution as the C7+ Characterization Mode and Oil as the characterization Fluid.
Now, it is necessary to change the default values for the Whitson’s Gamma model in the Gamma Distribution
form in order to have the recommended values for a heavy oil. These set of values can be found in the Gamma
Distribution section of this manual.
For a heavy oil, the recommended Whitson’s parameters are:
α = 25.0
η = 90 g/gmol
Gamma Max MW = 1210 g/gmol
Number of Pseudo Components = 80
Delta MW = 14 g/gmol
The values of Gamma Max MW and Delta MW were selected in order to have 80 pseudo components dis-
tributed in intervals of 14 g/gmol. 80 pseudo components will guarantee a smooth molecular weight distribution.
Now add the kinematic viscosity values in the Bulk Information grid in the right hand side of the oil envir-
onment.
The assay is now ready to cut, click on the Cut button to see the results. Click the Install button to install the char-
acterized pseudo components.
Go to the Result Curves and select the Fraction vs Cn curve in Mole basis.
It can be observed that the characterization follows a modal distribution based on the entered Whitson’s para-
meters. This oil is characterized based on just two kinematic viscosity points; however, using this oil with this
large amount of pseudo components could slow down the solution of some unit operations.
The first reaction would be to change the number of pseudo components to be created in the Gamma Dis-
tribution, but in this case the fine resolution achieved with 80 pseudo components will be lost, as it is shown in
the following figure. In this figure the oil was re-cut with the Gamma Distribution using the same parameters as
before but with 8 pseudo components and Delta MW = 140 g/gmol.
To avoid this problem, the oil environment of VMGSim allows characterizing this oil with less pseudo com-
ponents without losing the achieved resolution with the Gamma distribution. To do this, follow the next pro-
cedure.
Return to the original Gamma Distribution assay with 80 pseudo components and Clone the assay as Assay 2.
Now, select Experimental Information as the characterization type and go to the Distillation Curve tab.
It can be seen that the TBP curve that was created during the Gamma distribution characterization is available
in the Distillation Curve tab; this curve will be used as the TBP for the new oil. Click on the Liquid Properties tab
an it will be seen that the molecular weight and liquid density curves are also available.
It can also be noticed that the kinematic viscosities that were added in the previous assay are also available as
specifications for the new one.
Before cutting the oil, let’s use the “Heavy_Oil” Range Set to specify the different cuts for this oil, by inspecting
the TBP, it can be seen that most of the pseudo components are present in the Distillates and VGO ranges of
the oil. Then, set the number of cuts of the “Heavy_Oil” Range as: Naphtha = 1, Distillates = 2, VGO = 4 and
Residue = 1.
Assay 2 is now ready to cut, click on the Cut button to see the results. Click the Install button to install the char-
acterized pseudo components.
Note that the resulting TBP is similar to the one provided by the Gamma Characterization; however, in this case
we have only 7 pseudo components defining the curve as compared with the 80 obtained from the previous
assay.
To compare both assays, Install both assays and close the oil characterization environment and go to the
VMGSim flowsheet environment. Create two material streams, S1 and S2; connect S1 to Assay 1 and S2 to
Assay 2 and assign a pressure of 101.325 kPa to each stream.
Open a Case Study and connect the Temperature of each stream as the Independent Variable and the
Kinematic Viscosity of each stream as the Dependent Variable. Set the minimum and maximum values of the
Temperature to 0 and 200 C, respectively with 20 points. Be sure that the Run All Combination box is not
checked to avoid running all the different combination of the stream temperatures.
Run the Case Study and select the Plot tab to compare the kinematic viscosities predicted for each assay.
As it can be seen in the following figure, both predictions are similar (the pink line represents Assay 1 and the
green one Assay 2); meaning that both assays will yield same results for this property; however, Assay 2 with 7
pseudo components will give faster answers when used in more complicated flowsheets.
The same procedure can be repeated for different properties and the results will be similar. For instance, the fol-
lowing figure shows the same type of analysis using the Liquid Density.
This exercise exemplified the use of the Gamma Distribution to characterize an oil with the minimum amount of
experimental data and, how to covert that characterization into another one with a reduced amount of pseudo
components.
References
1.API Technical Data Book: Petroleum Refining, 5th Edition, American Petroleum Institute, 1992
2. Alboudwarej, H.; Akbarzadeh, K.; Beck, J.; Svrcek, W.Y.; and Yarranton, H.W.; “Regular Solution Model for
Asphaltene Precipitation from Bitumens and Solvents”, AIChE Journal, 49, 2948-2956, 2003
3. Akbarzadeh, K.; Alboudwarej, H.; Svrcek, W.Y.; and Yarranton, H.W.; “A Generalized Regular Solution
Model for Asphaltene Precipitation from n-Alkane Diluted Heavy Oils and Bitumens”, Fluid Phase Equilibria,
232, 159-170, 2005
Introduction
The Carbon number (Cn) Compositional Analysis technique in the oil environment of VMGSim characterizes
the "plus" fraction of reservoir fluids when a compositional analysis is available.
This technique involves the use of a versatile model equation to estimate the molar distributions and molecular
weights of the "plus" fraction. This characterization method allows a better reservoir oil and gas representation
when compared to other proposed techniques (Gamma distribution or Pedersen Exponential distribution).
Fundamentals
For a given petroleum mixture, data obtained by gas chromatographic (GC) analysis, a true boiling point (TBP)
distillation process, and measurements of molecular weights are put together to give a molar composition. Distil-
lation equipment permits separation into carbon number fractions up to about C20, where the process must be
stopped to avoid cracking [1].
Engineers working with compositional simulation are often confronted with the problem of characterizing hydro-
carbon “plus” fractions. Usually, the heavier components of a reservoir fluid are reported as a "plus" fraction
(Cn+) which lumps together all the components heavier than Cn. Molecular weight and liquid density are also
often reported for the "plus" fraction. Little or no information is generally available on the components that form
the "plus" fraction. Erroneous predictions could result if the" plus" fraction is used as a single pseudo-com-
ponent.
Several attempts have been made to calculate the molar distribution of a "plus" fraction using model functions.
The Lohrenz-Bray-Clark correlation is one of the earliest attempts to use an exponential-type distribution for
splitting "plus" fractions [2]. This method splits "plus" fractions into normal paraffins from C7 trough C40 using
the following relation:
where zCn is the molar composition of the Cn components and A1 and A2 are trial and error determined con-
stants. This method did not find a widespread application because it cannot be used to calculate molecular
weights for fractions higher than C40.
Pedersen et al. [3] used the following equation to model molar compositions of "plus" fractions:
which is similar to the Lohrenz-Bray-Clark correlation except that no continuity in the molar distribution is
ensured.
A flexible equation has been developed by VMG and implemented in the oil environment of VMGSim to improve
the modeling of molar distributions of the single carbon number (SCN) components which form the "plus" frac-
tion.
Compositional analysis of naturally occurring hydrocarbon mixtures suggests an exponential distribution for
some systems, usually condensates and light oils. Other systems, particularly, heavy oils, may show a left
skewed distribution. Thus, our developed model for molar distribution predictions was elaborated in order to
describe both characteristics.
In this model, the mole fraction and molecular weight of each SCN component are computed using the pro-
posed molar distribution. The specific gravity of each SCN component is calculated using a logarithmic fit
against the carbon number as suggested by Pedersen et al. [3]. The normal boiling point of each SCN com-
ponent is estimated from empirical methods [1, 2]. From these values, the critical and physical properties are cal-
culated from the selected estimation methods in the Range Set section of the oil environment, and the regular
oil characterization procedure is carried on.
To access this option in VMGSim, select the Cn Compositional Analysis radio button in the oil char-
Cn Compositional Analysis Characterization

Once the Cn Compositional Analysis is accessed, three frames will be shown. The first frame corresponds to
the "plus" fraction parameters, the second one has other variables that are needed for this type of char-
acterization and the third one will contain the compositional analysis data for a Carbon Number analysis.
Starting Cn
This variable defines the Carbon Number of the first component in the Compositional Analysis. Components
with Cn < 6 and all pure components should be added to the Light Ends form. The default value is 7.
Cn+
This variable defines the Plus Fraction Carbon Number. The default value is 20. The maximum Carbon Num-
ber permitted for the "plus" fraction is 50.
Cn+ Composition
This variable defines the Composition of the Plus Fraction
Cn+ MW
This variable defines the Molecular Weight of the Plus Fraction
Cn+ LD @ 60 F
This variable defines the Liquid Density @ 60 F of the Plus Fraction
Cn + Pseudo Components
This variable defines the number of Pseudo Components to be characterized from the Plus Fraction. The
default value is 10. The maximum number of pseudo components that can be characterized is 200 (including
the components from the analysis).
Basis
This variable defines the basis of the Plus Distribution compositions. The default value is Mass %.
MW
This variable defines the bulk or light ends free oil average molecular weight.
Liquid Density @ 60 F
This variable defines the bulk or light ends free oil average liquid density.
Cn Compositional Analysis Data
The lower frame contains the set of properties for each defined single Carbon number component from the com-
position analysis: composition, molecular weight, liquid density at 60 F and normal boiling point. If the molecular
weights, liquid densities or normal boiling points for each single carbon number are not provided, they will be
obtained from the suggested values by Riazi [2].
Notes:
If light ends are to be used, then the light ends composition must be provided i.e. the Auto-Calculate and Match
options for light ends cannot be used.
If light ends information is provided, then the user has also to define if the calculated or specified bulk molecular
weight and liquid density @ 60 F include or not the light ends information. This can be done by checking the box
Use LE in Bulk Oil Props inside the Light Ends tab.
Different basis combinations (mole, volume or mass) can be used for the light ends and the Cn analysis.
The minimum data needed to create a Cn Compositional Analysis characterization are: the composition inform-
ation for each single carbon number defined in the analysis, and the "plus" and/or bulk molecular weight and
liquid density at 60 F.
If "plus" properties are provided, then the calculations are based on these numbers; if bulk properties are also
provided, then the results are later normalized to match the bulk values.
If bulk properties are provided, then the calculations are based on these numbers; if in addition one plus prop-
erty is given, then the plus property is honored and the other one is calculated based on the bulk values.
Only one bulk property and one plus property cannot be specified, there has to be always a pair of values for
either bulk or "plus: properties.
Once all the variables are defined, the assay will be ready to be cut. In order to have a better visualization of the
results coming from this characterization type, four curves have been added to the Results Curves in the Res-
ults section: Fraction vs Cn, MW vs Cn, Liquid Density @ 60 F vs Cn and NBP vs Cn.
Fraction vs Cn
This curve shows the compositional distribution of characterized pseudo components of the "plus" fraction
through their carbon numbers. The following figure shows the result of a C30+ characterization, it can be seen
that a left skewed distribution is followed after this Carbon number.
MW vs Cn
This curve shows the molecular weight distribution vs. the carbon number of each pseudo component. The plot
in the following figure corresponds to a C30+ compositional analysis.
Liq. Density @ 60 F vs Cn
This curve shows the standard liquid density distribution vs. the carbon number. of each pseudo component
The plot in the following figure corresponds to a C30+ compositional analysis.
NBP vs Cn
This curve shows the normal boiling point distribution vs. the Carbon number of each pseudo component. The
plot in the following figure corresponds to a C30+ compositional analysis.
The summary of all the estimated pseudo component critical and physical properties can be seen in the Pseudo
Components tab from the Results sections.
For this type of characterization, the pseudo components are named accordingly to the carbon number from
their chemical formula.
The Report tab in the Results section shows information about the compositional analysis distribution results
and decisions made by VMGThermo while creating the pseudo components based on the provided inform-
ation.
This characterization procedure has been proven to give satisfactory results on reservoir oils and gases. In addi-
tion, the method has been proven to model heavy oils where a left skewed distribution can be present. Sens-
itivity studies show that increasing the number of pseudo components of the "plus" fraction yields in
improvements in the distribution of molecular weight, liquid density and normal boiling points of the "plus" frac-
tion pseudo components.
References
1. Pedersen, K.S.; Thomassen, P. and Fredeslund A.; “Thermodynamics of petroleum Mixtures Containing
Heavy Hydrocarbons. 1. Phase Envelope Calculations by Use of the Soave-Redlich-Kwong Equation of
State”, Industrial and Engineering Chemistry Process Design and Development, 23, 163-171, 1984
2. Whitson, C.H. and Brulé, M.R. “Phase Behavior”, SPE Monograph, Vol. 20, 2000
3. Pedersen, K.S., Christensen, P.L. “Phase Behavior of Petroleum Reservoir Fluids”, Taylor & Francis, Boca
Raton, FL, 2006
shohocken, PA, 2005
Cn Compositional Analysis Examples

Introduction
The following examples focus on the characterization of different types of crude oils using the Cn Compositional
Analysis option in the oil environment from VMGSim. These examples cover the available features in this option
as well as common scenarios that the users could face and where the best characterization option is the Cn
Compositional Analysis.
The scenarios include situations where an extended analysis is not available for a crude oil or when this ana-
lysis is provided for a heavy oil. This document will guide the user through the use of the different options avail-
able in the Cn Compositional Analysis in VMGSim.
Accessing the Crude oil Characterization

The following examples will be exclusively concentrated in the Cn Compositional Analysis option in the oil envir-
onment from VMGSim. The following steps will guide the user to start up a characterization in the Cn Com-
positional Analysis option.
The examples in this section will use light ends in the characterization. Follow the next steps to add light ends to
the characterization.
Click on the Thermo Model button.
The Thermo Model view will appear as shown below. Select your property package of preference as the Ther-
modynamic Model. Click on the Apply button to create a property package.
Click the Components tab and add the light ends defined in the example to the selected component list. These
compounds will be used to specify the light ends of the oil.
Once the light ends have been added, click on the Oil button to access the oil characterization package.
The oil characterization package allows managing multiple oils, each with its own assay and characterization
options. Click on the New button to create an oil.
In the Assays section, click the New button. Using the dropdown button on the top right corner, change the act-
ive unit set to SI (all the examples in this section will be based on this units). VMGSimwill show the Assay view
on the right hand side of the oil characterization package form as shown below.
Click on the Cn Compositional Analysis radio button and the characterization procedure is ready to start.
Notice that the Range Set is automatically set to “SingleRange”, this can be modified by the user and it will be
saved once the oil has been cut. Now, follow the instructions in the next examples to characterize an oil using
the Cn Compositional Analysis.
Example 1
Sometimes oil analyses have no distillation data and the compositional analysis goes only up to C6, while the
remaining fraction is lumped into a C7+ fraction. The following example will guide the user to characterize crude
oil analyses with these characteristics.
Oil Compositional Analysis
The following table is a C7+ Compositional Analysis from a crude oil, the analysis contains data up to C6, includ-
ing light ends, and the composition and properties of the C7+ fraction.
Table 1 Crude Oil Compositional Analysis Assay
Remember to add the light ends from the Component list in the Thermo model form. The light ends to be added
are: Methane, Ethane, Propane, Iso-Butane, Butane, Iso-Pentane and Pentane. C6 will be added as part of the
compositional analysis and NOT as Hexane.
In the Light Ends tab, click the Light Ends check box and set the Light End Basis to Mass % and enter the
light ends data. Note the Light Ends in Bulk Oil Props check box is blank, since the light end properties will
not be taken into account in the physical properties of the light ends free fraction.
Go to the Cn Compositional Analysis tab, set Starting Cn = 6 and Cn+ = 7 and add the Cn+ composition and
physical properties in the respective boxes. For this example set Cn+ Pseudo Components = 74, since com-
ponents up to C80 will be characterized and set Basis = Mass %. Since no bulk properties were provided leave
MW and Liquid density @ 60 F in blank.
Do not forget to add the composition of C6 in the compositional analysis table. Since the molecular weight,
liquid density and normal boiling point for the C6 fraction are not provided, they will be obtained from the sug-
gested values by Riazi [1].
In the Results section, click on the Type dropdown list and select Fraction vs Cn and change the basis to Mole.
This curve shows a left skewed distribution type of the mole fraction of the plus fraction components. Now,
change the curve Type to MW vs Cn.
The molecular weight distribution shows a continuous increment through the Carbon number of the plus frac-
tion pseudo components. The same continuous behavior is also expected for the Liquid Density @ 60 F and
NBP vs Cn curves as it is shown below.
To see a summary of all the estimated pseudo component critical and physical properties click on the Pseudo
Components tab.
It can be seen that the pseudo components are named accordingly to their Carbon number.
Click on the Report tab. This tab will show information about the compositional analysis distribution results and
decisions made by VMGSim while creating the pseudo components based on the provided information.
Click on the Install button, note that the status bar shows that the oil is installed.
Click the Close button; this will take back VMGSim to the Thermo Model form.
Click on the Components tab.
Note that the light ends and oil pseudo components up to C80 are now available.
Example 2
Oil analyses for heavy oil regularly contain an extended compositional analysis, sometimes up to C30. The fol-
lowing example will guide the user to characterize crude oil analyses with these characteristics.
Oil Compositional Analysis
The following table is a C36+ Compositional Analysis from a heavy reservoir fluid, the extended analysis con-
tains data up to C35, including light ends, and the composition and properties of the C36+ fraction.
Table 2 Heavy Reservoir Fluid Compositional Analysis Assay
Remember to add the light ends from the Component list in the Thermo model form. The light ends to be added
are: CO2, Methane, Ethane, Propane, Iso-Butane, Butane, Iso-Pentane, Pentane and Hexane.
In the Light Ends tab, click the Light Ends check box and change the Light End Basis to Mole % and enter
the light ends data from Table 2. Note the Light Ends in Bulk Oil Props check box remains blank, since the light
end properties will not be taken into account in the physical properties of the "plus" fraction.
Now, the compositional analysis can be added. Click on the Cn Compositional Analysis tab.
Set Starting Cn = 7 (the Carbon number from the first component in the analysis), Cn+ = 36 (the carbon num-
ber of the plus fraction), Cn+ Pseudo Components = 45 (the desired number of pseudo components for the
plus fraction, in this case the components up to C80 will be obtained), and Basis = Mole % (the basis from Table
1). The bulk oil molecular weight and the liquid density at 60 F can also be entered here if available.
After adding these values a table that will contain the properties of the pseudo components is created, since the
Starting Cn was set to 7 and Cn+ to 36, the table contains rows from C7 to C36+. Now enter the composition,
molecular weight and liquid density data from Table 2 in this table. The properties from the C36+ fraction can be
set either in the table or in the left top box corresponding spaces.
In Results Curves from the Results tab click on the Type dropdown list and select Fraction vs Cn and change
the basis to Mole.
This curve shows an exponential distribution of the mole fraction for the plus fraction components. Now, change
the curve Type to MW vs Cn.
The molecular weight distribution from this curve shows a step increment in the molecular weight value for the
plus fraction pseudo components. In order to narrow this step increment in the distribution, it is necessary to
increase the number of pseudo components in the plus fraction. According to Pedersen et al. [2], for ordinary
reservoir fluids, C80 is a reasonable choice as the heaviest component to be considered; however, for heavy
oils (as in this case) components as heavy as C200 can influence the distribution and phase behavior. Then,
increment the number of pseudo components in the plus fraction from 45 to 165.
Click in the Cn Compositional Analysis tab and set Cn+ Pseudo Components = 165. Note that the NBP
column in the components table has already been filled with the suggested data from Riazi [1].
Re-cut the oil by clicking the Cut button. Now, click on the Type dropdown list from the Result Curves and
select Fraction vs Cn and change the basis to Mole.
The figure still shows an exponential distribution of the mole fraction for the plus fraction components; however,
in this case the carbon number goes up to 200.
Change the Type of the Result Curve to MW vs Cn.
Now the molecular weight distribution shows a continuous increment through the Carbon number of the plus
fraction pseudo components. The same continuous behavior is also expected for the Liquid Density @ 60 F and
NBP vs Cn curves as it is shown below.
To see a summary of all the estimated pseudo component critical and physical properties click on the Pseudo
Components tab.
It can be seen that the pseudo components are named accordingly to their carbon number.
Click on the Report tab. This tab will show information about the compositional analysis distribution results and
decisions made by VMGSim while creating the pseudo components based on the provided information.
Click on the Install button, note that the status bar now tell that the oil is installed.
Click the Close button; this will take back VMGSim to the Thermo Model form.
Click on the Components tab.
Note that the light ends and oil pseudo components up to C200 are now available.
This oil has been characterized in order to have a smooth molecular weight distribution through their pseudo
components; however, using this oil with this large amount of pseudo components could slow down the solution
of some unit operations. To avoid this problem, the first reaction would be to reduce the number of pseudo com-
ponents in the Cn Composition Analysis, but it has been demonstrated the this would affect the molecular
weight distribution. The procedure that was shown in Example 8 from the Gamma Distribution Examples
section of this manual can be followed to reduce the number of pseudo components defining the assay.
References
shohocken, PA, 2005
2. Pedersen, K.S., Christensen, P.L. “Phase Behavior of Petroleum Reservoir Fluids”, Taylor & Francis, Boca
Raton, FL, 2006
Estimation of Oil Pseudo Component Physical Prop-

erties in VMGSim
Extrapolation of Final Boiling Point for Heavy Oils in VMGSim
General
TBP distillation curves for heavy oils or bitumen are generally obtained in the laboratory up to 30 - 40 % dis-
tillation, if the distillation curve is extrapolated following a linear or a probabilistic function, erroneous values are
expected since these extrapolation models under or over predict the final boiling point.
The erroneous prediction of the final boiling point involves errors in the calculation of physical properties that
have estimation methods based on boiling points.
The Extrapolation of Final Boiling Points for Heavy Oils is a new implementation that allows a better pre-
diction of the chemical evolution of heavy oils through their distillation when asphalthene information is avail-
able. The asphalthene information provides the basis of a better extrapolation for the heavier part of the
distillation curves and will help to avoid errors in the estimation of the final boiling point.
Final Boiling Point Extrapolation

In order to use this new feature in VMGSim, it is necessary to have the distillation curve of the heavy oil and
some information about the asphalthenes present in the heavy oil. This information must contain the
asphalthene content of the oil (in the same basis as the distillation curve) and, the molecular weight or the resin
to asphalthene ratio.
In this model, the distillation curve information must be added in the form of a TBP distillation curve. Other types
of distillation curves (D86, D1160, D2887, EFV) or distribution types (Chromatograph, Gamma Distribution, Cn
Compositional Analysis) are not supported for this type of extrapolation.
VMGSim will use the TBP information to extrapolate the distillation curve through the maltenes portion of the oil
(between the last point of the distillation curve and the beginning of the asphalthenic part of the oil) using the
Probability (Gaussian) method. The asphalthenic portion of the oil is given by the asphalthene content of the oil.
Then, the chemical evolution of the oil through the asphalthenic part of the oil is calculated by means of a
Gamma distribution. In order to calculate this distribution, the asphalthene molecular weight must be entered. If
this information is not available, the resin to asphalthene ratio can be used to calculate the molecular weight.
Once obtained, the asphalthene Gamma distribution is normalized respect to the asphalthene content of the oil
and added to the Gaussian maltene extrapolation; then, the normal boiling points of the distillation curve up to
100% are collected, smoothed, and used as the TBP curve for the rest of the oil characterization procedure.
Example
The following example will go through the use of this new feature when a heavy oil TBP and asphalthene inform-
ation are available.
Got to the Oil Characterization environment of VMGSimand create an assay based on the following properties.
Select SI as the unit system.
Distillation Curve
Type: TBP
Basis: Mass %
%Dist T [C]
0.01 265.9
0.8 280.1
1.7 296.4
2.5 307.0
5.0 329.6
10.1 360.3
15.1 384.5
20.1 406.7
25.2 426.1
30.2 445.0
35.2 464.3
39.4 482.0
Estimate End T: Heavy Oil FBP Extrapolation
Asphalthene Information
Asphalthene Content: 16.1 % (Mass)
Asphalthene Molecular Weight: 1500 g/gmol
Introduce the TBP distillation curve as Experimental Information; notice that the curve basis is Mass % and,
select Heavy Oil FBP Extrapolation as the Estimate End T option.
Note that the by selecting the Heavy Oil FBP Extrapolation option, a frame with the asphalthene information is
enabled.
Add the asphalthene information in the proper boxes:
Since, the characterized fluid is a heavy oil, the suggested Range set for this case is “Heavy_Oil”, select this
range and cut the oil.
The next figure shows how the TBP curve (in Mass %) of the oil is extrapolated following a Gaussian trend up to
the asphalthene section, and the use of the Gamma distribution to extrapolate the FBP.
If this TBP distillation curve is extrapolated using only a Gaussian distribution, then an over prediction of the final
boiling point is found. On the other hand, if the extrapolation is made using a linear trend, then an under pre-
diction of the final boiling point is found, as seen in the next figure. Physical properties of pseudo component in
the asphalthenic part of the oil would be unreliable, when erroneous predictions of the FBP are found.
Oil Pseudo Component Viscosities in VMGSim

General
The main goal of this section is to describe a new, reliable and consistent method for the calculation of liquid vis-
cosities of petroleum fractions. This new correlation is capable of predicting liquid viscosity for a broad range of
molecular weight and boiling point petroleum fractions. The correlation parameters were regressed based on
liquid viscosity values from the original American Petroleum Institute (API) correlation and experimental data
from different oils.
Liquid Viscosity Estimation

A common problem in the oil industry is the task of coming up with reasonable viscosity predictions for heavy
oils, bitumen and their mixtures with solvents. The purpose of this section is to provide some guidelines on how
to help the user to develop more reasonable simulations using our new API-VMG viscosity correlation.
Although there are many variations, one of the main problems in oil industry can be understood as the desire to
model the viscosity of liquid hydrocarbon materials. In the normal work process, an engineer will get some char-
acterization data and then using that data fill in the necessary information in the oil characterization package
and then cut and install the oil.
In the following example, a bitumen will be characterized using only very basic information. In this example,
Athabasca bitumen [1] will be characterized using only its average molecular weight and density, the rest of the
information will be estimated using a Gamma distribution.
Open the oil characterization interface, select Gamma distribution and introduce the following information: MW
= 532 g/gmol and Liquid density @ 60 °F = 1001 kg/m3. In order to rise some important remarks select first API
as the Liquid Viscosity Estimation method for all the oil ranges and then cut the oil.
Figure 1 VMGSimOil view (API Liquid Viscosity Method)

Take a look at the viscosity curve for the bitumen as a function of the temperature.
Figure 2 Dynamic viscosity versus Temperature using API correlation

The slope of viscosity as a function of temperature is completely wrong. Embedded in the model there is a fail-
ure from the API estimation method used to calculate the viscosity of pseudo components.
The API method fails for some combinations of API gravity and KW. Figure 3 from the API [2] show the areas
where the correlation breaks. The shaded blue rectangle indicates the recommended areas where the cor-
relation can be used [3, 4].
The KW for the pseudo components in the studied bitumen ranges from 11.6 to 11.1 and the API varies from
58.7 to -3.1. Figure 3 suggests that the viscosity correlation will fail for some bitumen pseudo components. Now
take a look at the viscosity versus material distilled at 100 °F shown in Figure 4.
Figure 3 API correlation validity range from [2]
Figure 4 Dynamic viscosity versus % distilled material using API correlation

As expected, the correlation breaks. The first natural reaction to this problem is to change the liquid viscosity
estimation correlation. So, let’s cut now the bitumen using the new API-VMG correlation. Select API-VMG as
the Liquid Viscosity estimation method for all the oil ranges.
Figure 5 VMGSimOil view (API-VMG Liquid Viscosity Method)

Take a look to the viscosity versus temperature and viscosity versus percentage of distilled material curves.
Figure 6Dynamic viscosity versus % distilled material using API-VMG correlation
Figure 7 Dynamic viscosity versus Temperature using API-VMG correlation

The API-VMG method in this case does not generate an incorrect slope of viscosity versus and is continuous
along the percentage of distilled material curve.
Certainly the API correlation may generate erroneous values whereas the new API-VMG correlation has the
redeeming feature of not predicting unphysical viscosity behavior; however, a correlation is only as good as its
database. Therefore; in order to have a better idea of the usefulness of the API-VMG correlation, let’s now
make a second example where experimental data can be compared to the model.
Let’s start a new model based on a different Athabasca bitumen [5] employing the following information: SG =
1.0164 (7.72 API) and the following TBP data:
Table 1 Athabasca Bitumen TBP [5].
% Dist, vol Temperature, °F

0 137.5
0.32 272.5
0.68 357.5
2.09 415
4.57 480
9.08 545
13.34 607.5
21.23 680
27.1 755
31.96 807.5
40.52 865
47.85 935
55.13 1010
100 1275
Select first API as the Liquid Viscosity Estimation method for all the oil ranges, and then cut the oil. Take a look
to the kinematic viscosity versus distilled material curve.
Figure 8 Kinematic viscosity versus % distilled material using API correlation

Once more, the API viscosity estimation method breaks because some of the oil pseudo components are off its
validity ranges of API gravity and KW.
Now let’s change the liquid viscosity estimation to Twu. Select Twu as the Liquid Viscosity estimation method
for all the oil ranges and re-cut the oil. Twu’s method is a recognized alternative to the API method and spe-
cifically designed for heavy oil fractions.
Figure 9 Kinematic viscosity versus % distilled material using Twu correlation

Twu’s method does not generate a discontinuity in the kinematic viscosity percentage of distilled material and;
although, the values at the end of the distillation curve look very high they may be reasonable. For example,
Athabasca bitumen distillation residue could have a kinematic viscosity of around 1,000,000 ft2/h (5).
Now, let’s change one more time the liquid viscosity estimation method. Select this time the new API-VMG cor-
relation as the Liquid Viscosity estimation method for all the oil ranges and re-cut the oil.
Figure 10 Kinematic viscosity versus % distilled material using the API-VMG correlation
Again, the API-VMG method does not generate a discontinuity in the kinematic viscosity percentage of distilled
material and the values at the end of the distillation curve do not look very high. However, without experimental
data we cannot give a final statement on how accurate the Twu and API-VMG correlation are.
Fortunately, the Athabasca bitumen assay [5] that is employed for this example comes with experimental data
of kinematic viscosity for different percentages of distilled material at different temperatures. The following table
contains these data:
Table 2 Athabasca Bitumen experimental kinematic viscosities [5]
Athabasca Bitumen Kin Viscosity (ft2/h)

% dist, vol 100 °F 130°F 210 °F 250 °F 300 °F
9.08 0.21 0.14 0.06
13.34 0.36 0.21 0.08
21.23 1.44 0.64 0.16
27.1 5.40 1.70 0.26
31.96 3.40 0.44 0.23
40.52 13.17 1.32 0.69
47.85 6.29 1.26 0.12
55.13 2.36 0.20
100 31.36 3.27
Let’s plot the kinematic viscosity versus percentage of distilled material curves for the Twu and API-VMG
method at different temperatures to compare them to the experimental data. The original API method is omitted
since this correlation predicts inaccurate viscosities for this bitumen.
Figure 11 Kinematic viscosity versus % distilled material at 100 °F
Figure 15 Kinematic viscosity versus % distilled material at 300 °F.

From the previous figures, it can be seen that both methods (Twu and API-VMG) have almost the same devi-
ation with respect experimental data between 100 and 210 °F; at 250 °F the deviations become larger, but the
API-VMG correlation is closer to the experimental data as compared to Twu. At 300 °F, Twu’s correlation pro-
duces a wrong slope whereas the API-VMG correlation follows the experimental data trend.
As mentioned before a correlation is only as good as its database; the new API-VMG correlation is based on
predicted values and smooth extrapolations from the original API as well as experimental data; this feature
allows in some cases predicting better estimates than the original API and Twu correlations.
References
1. AOSTRA Technical Publication Series Number 6; Edmonton, Alberta, October 1989
2. API Technical Data Book 1992, procedure 11A4.2
3. Twu, C. H. Internally Consistent Correlation for Predicting Liquid Viscosities of Petroleum Fractions. Ind.
Eng. Chem. Process Des. Dev., 1985, 24 (4), 1287-1297
4. Altgelt, K. H.; Boduszynski, M. M. Composition and Analysis of Heavy Petroleum Fractions; Marcel Dekker:
New York, 1994
5. ConocoPhillips Surmont Bitumen Crude Assay, Business Modeled Cuts; 2006
Pseudo Component Chemical Formulas in VMGSim

General
The estimation of the chemical formula of an oil pseudo component is possible inside the Oil Characterization
environment of VMGSim. The chemical formula of an oil pseudo component can provide important information
about its elemental analysis and mass distribution. This information is necessary for the estimation of some
physical properties such as enthalpy of combustion and ideal gas heat capacity.
The chemical formula of the different characterized oil pseudo components can be estimated by three different
methods:
1) API, in this case VMGSimwill calculate the chemical formula of the oil pseudo components based on their
molecular weight and liquid density;
2) Content Curves, VMGSimwill calculate the chemical formulas based on the carbon, hydrogen, nitrogen, sul-
fur, oxygen, vanadium, nickel and iron content curves provided by the user; and
3) API/Content Curves, VMGSimwill provide the chemical formulas using a combination of the previous two
methods.
Chemical Formula Estimation Options

The different options available for the estimation of chemical formulas for oil pseudo components can be found
in the Bulk Information grid, just below the naming options for the pseudo components.
The API/Content Curves option is the default; if the user decides to use the Content Curves or the API/Con-
tent Curves option, the information provided by elemental content curves will be used to build the formulas. For
more information on how to add Content Curves, please refer to the VMGSimOil Characterization section of
this manual. The following paragraphs will go through the definition of each Chemical Formula estimation meth-
ods.
API
To calculate the chemical formula in this option, only the molecular weight and standard liquid density of the
pseudo component are necessary. This means that the formula will be calculated once these two properties
have been estimated. The method starts by checking the API gravity of the pseudo-component. If the pseudo-
component has an API gravity larger than 35 API, it is considered a paraffin-type compound and the typical
alkane formula is used (CnH2n+2). n is calculated using the molecular weights from carbon, hydrogen and the
pseudo component.
If the API gravity is lower than 35, then the percentage of sulfur and nitrogen and the carbon to hydrogen ratio
are calculated from the API procedure 14A1.3 [1], which is based on the API gravity of the pseudo component.
Then, the chemical formula is calculated based on these percentages and the molecular weight of the pseudo
component. In this way, the only elements that can be present in an oil pseudo component formula, calculated
using the API option, are: carbon, hydrogen, nitrogen and sulfur.
Example
This example shows how the chemical formulas for the pseudo component of an oil assay are estimated using
the API option.
Open the oil characterization environment of VMGSim, and select the Gamma Distribution characterization
with the Gamma to TBP option and provide the following bulk properties:
MW = 532 g/gmol
Liquid density at 60 F = 1001 kg/m3
Select the “Heavy_Oil” range Set and the API option in the Formula estimation method.
Cut the oil and go to the Pseudo Components tab in the Results section, move the slide bar to the right to
observe the calculated chemical formulas.
Content Curves
This option should be selected when the user has elemental analysis distributions for the characterized oil. In
this case, VMGSimwill assign a mass percentage of each element that is provided in the form of a Content
Curve to the pseudo components. The chemical formula is calculated based on the different assigned per-
centages for each element and the molecular weight of the pseudo component.
In this option, the chemical formula of each pseudo component will contain only the elements for which a con-
tent curve was provided, i.e. if only carbon and hydrogen Content Curves were provided then, the pseudo com-
ponent will only have carbon and hydrogen in its chemical formula.
Example
the Content Curves option.
MW = 532 g/gmol
Liquid density at 60 F = 1001 kg/m3
Select the “Heavy_Oil” range Set and the Content Curves option in the Formula estimation method.
Add the following carbon, hydrogen and sulfur Content Curves.
Cut the oil and got to the Pseudo Components tab in the Results section, move the slide bar to the right to
Observe that the pseudo component chemical formulas only contain the elements for which a Content Curve
was provided: carbon, hydrogen and sulfur.
API/Content Curves
This option should be selected when the user has limited elemental analysis distributions for the characterized
oil. In this case, VMGSimwill assign a mass percentage of each element that is provided in the form of a Con-
tent Curve to each pseudo component. If Content Curves for carbon, hydrogen, nitrogen or sulfur are not
provided, then the procedure explained in the API section will be employed. This estimation method is a com-
bination of the previous two methods.
In this option, the chemical formula of each pseudo component will contain the elements for which a content
curve was provided plus carbon, hydrogen, nitrogen and sulfur.
Example
the API/Content Curves option.
MW = 532 g/gmol
Liquid density at 60 F = 1001 kg/m3.
Select the “Heavy_Oil” range Set and the API/Content Curves option in the Formula estimation method.
Add the following oxygen Content Curve.
Cut the oil and got to the Pseudo Components tab in the Results section, move the slide bar to the right to
Observe the pseudo component chemical formulas only contain the elements for which a Content Curve was
provided (oxygen) in addition to carbon, hydrogen, nitrogen and sulfur
References
Oil Pseudo Component Heats of Combustion in VMGSim

General
The main goal of this section is to describe the method for estimating enthalpies or heats combustion inside the
Oil Characterization of VMGSim. The API procedure 14A1.3 [1] provides an accurate method for the estimation
of enthalpies of combustion of petroleum fractions at 60 F, this method is based on the standard liquid density at
60 F, the molecular weight, and the percentage of sulphur and nitrogen present in the petroleum fraction. Com-
parisons between the enthalpies of combustion for pseudo components calculated from the oil characterization
environment and those calculated from a combustion reactor yielded small average absolute deviations (less
than 1 %).
Estimation of Enthalpies of Combustion

The standard heat of combustion is defined as the change in enthalpy resulting from the combustion of a sub-
stance, in the state that is normal at 77 F and atmospheric pressure, beginning and ending at a temperature of
77 F. The gross heat of combustion is the same as the standard heat of combustion except that the combustion
begins and ends at 60 F. The normal state for the water formed by the reaction is liquid in both cases.
The difference between the standard and the gross heat of combustion is the difference between the sensible
heat changes of the products and reactants from 60 to 77 F. This sensible heat difference is usually negligible in
comparison with the heats of combustion, so the gross and standard heat of combustion are approximately
equal [1].
The net heat of combustion is the heat evolved in a combustion beginning and ending at 60 F with gaseous
water in the products [2].
Combustion reactions proceed with a decrease in enthalpy, the enthalpy change is negative in sign. In the case
of a petroleum fraction, the negative of the gross heat of combustion is known as the gross heating value (GHV)
and the negative of the net heat of combustion is the net heating value (NHV), both quantities are therefore pos-
itive numbers [2].
Note that VMGSim describes the Ideal Gas Enthalpy of Combustion at 298 K equal to the Net Heating Value
(NHV). Net heating value is the molar average of heat of combustion. This is the heating value corresponding to
water in the gaseous phase. In VMGSim, the Ideal Gas Enthalpy of Combustion at 298 K is a POSITIVE value
equal to the Net Heating Value (NHV) and the negative of the net heat of combustion.
In VMGSim:
Ideal Gas Enthalpy of Combustion at 298 K [+] = NHV[+] =- Net heat of combustion[-]
The API Procedure 14A1.3[1] defines the net heat of combustion for petroleum fraction as:
where:
ΔHC,60 (net) = net heat of combustion in kJ/kmol
API = API gravity

%Se = weight percent of sulphur (from chemical formula) minus average weight percent (from Table 14-0.1 in
API Procedure 14A1.3[1])
%Ie = weight percent of inerts (from chemical formula) minus average weight percent (from Table 14-0.1 in API
Procedure 14A1.3[1])
MW = molecular weight
Therefore, NHV = - ΔHC,60 (net)
This procedure is applied during the calculation of the pseudo component physical properties inside the Oil
Characterization environment of VMGSim. Molecular weight and API gravity are obtained directly from the
pseudo component values and, the sulphur and nitrogen (inerts) weight percents are obtained from the chem-
ical formula of the pseudo component.
The NHV can also be calculated in enthalpy mass units; this value is obtained by just dividing the enthalpies in
mole basis by the pseudo-component molecular weight.
In the Oil Characterization environment, the enthalpy of combustion @ 77 F in molar enthalpy units is called
NHV in order to be consistent with VMGSim. The enthalpy of combustion @ 77 F in mass enthalpy units is
called NHVMass. The heat of combustion of the oil pseudo-components can be seen in the Pseudo Com-
ponents tab of the Results section.
Validation
In order to validate this procedure, a VMGSimcase can be performed. Open VMGSim and start a case select-
ing the Advanced Peng-Robinson property package. Change the Unit Set to SI and go to the Oil Char-
In this case, a heavy oil (standard liquid density = 1000 kg/m3 and MW = 500) is cut and installed using the
Gamma Distribution and the Gamma to TBP characterization mode. In order to have a reduced number of
pseudo components, the "Heavy_Oil" Range Set is employed to cut this oil.
Once the oil is cut and installed, the enthalpy of combustion for each pseudo-component can be obtained from
the Pseudo Components tab in the Result Section..
The formulas and enthalpies of combustion for each oil pseudo-component are presented in the following table:
The next step is to compare the NHV values from the characterization to those obtained from a combustion
reaction. In order to do this, a stream containing 1 kgmolel/h at 25 C of each pseudo-component is mixed with
another stream containing oxygen at the same temperature with the stoichiometric quantity based on the com-
bustion formula, the mixed stream is connected to an equilibrium reactor and the balanced combustion reaction
is provided. The reactor is solved as isothermal and isobaric and the heat of reaction at 25 C is recorded.
The combustion reaction is represented by:
The following table show the stoichiometric coefficients for the combustion reaction of each oil pseudo com-
ponent (PC) characterized in the Oil Characterization environment:
The heat of reaction at 25 C (HRxn 25 C) from the combustion reactor was compared to the negative of the
NHV (i.e., the net heat of combustion) calculated in the oil characterization for each pseudo-component.
To calculate the heat of reaction at 25 C or 77 F in VMGSim, follow the next steps:
Add the following compounds to the case: O2, CO2, H2O, N2 and SO2.
Assign the first oil pseudo component (Oil_1_assay_1_ABP[234]F) to a material stream named PC and enter 1
kgmole/h to the mole flow, assign O2 to a second material stream named O2 and enter the corresponding stoi-
chiometric coefficient from the previous table as the mole flow, in this case 11.05319 kgmole/h.
Mix both streams using a Mixer unit operation and set the temperature and pressure of the mixed stream to
298.15 K (25 C) and 101.325 kPa (1 atm).
Now connect a Conversion Reactor to the mixed stream. To read more about this type of reactor, please refer
to the Reactor Section in the Unit Operations Section of this manual.
Open the Conversion Reactor and go to the Reactions tab. Click on Add/Edit and fill the stoichiometric coef-
ficients of the combustion reaction.
Now observe the heat of reaction at 25 C (H Rx'n (25 C) = -4408827 kJ/kmole) and compare it to the one
obtained from the characterization (NHV = - Heat of Combustion @ 25 C = -4407470). The average absolute
deviation of the results is 0.0307 %.
The same procedure can be repeated for the rest of the characterized oil pseudo components to compare the
heats of combustion. The required stoichiometric coefficients to solve the combustion equations were presen-
ted in the previous table.The comparison of the enthalpies of combustion for each pseudo component cal-
culated in the oil characterization and those calculated from the combustion reactor are shown in the following
table.
Heat of combustion reaction @ 25 C:
As it can be seen in this table, the average absolute deviation between the heats of combustion from the oil char-
acterization and those calculated in the combustion reactor are very small (less than 1 %).
Adjustment of pseudo component enthalpies of combustion from bulk oil values

The adjustment of the pseudo components enthalpies of combustion in the Oil characterization environment of
VMGSim with respect to the bulk oil values is performed in a similar way as the molecular weight adjustment.
Once the pseudo-components properties are calculated, a molar average bulk value is calculated; then, a nor-
malization procedure is performed with respect to the provided (experimental) bulk value.
In order to be consistent with the units in VMGSim, the enthalpies of combustion can be provided in mass or
molar basis. If the bulk molar basis value is provided, the mass bulk value is calculated using the available bulk
molecular weight and the bulk molar basis value is used for the rest of the calculations.
If the bulk mass basis value is provided, the mole bulk value is calculated using the available bulk molecular
weight and the bulk molar basis value is used for the rest of the calculations.
In the case of both, molar and mass basis, values are specified; the molar basis value will override the bulk
mass basis.
In order to exemplify how this adjustment works, see the following example in VMGSim.
Return to the oil that was characterized in the previous case (standard liquid density = 1000 kg/m3, MW = 500,
Gamma Distribution, Gamma to TBP option and "Heavy_Oil" Range Set). As it can be seen in the following fig-
ure the bulk NHV's in mole and mass basis are calculated from the pseudo-components values.
Go to the Results section and select NHV as the type of the Result Curves. Take a look to the NHV vs. %Dist
plot (volume basis) based on the calculated NHV from the oil pseudo-components.
Now provide the NHVMass bulk value for this oil, let’s assume that it is 45,000 kJ/kg and cut the oil.
Go to the Results section and select NHV as the type of the Result Curves. Take a look to the NHV vs. %Dist
plot (volume basis).
After cutting the oil with the new bulk NHV value, the NHV's for the pseudo-components are shifted to the left,
because they were adjusted to a higher NHVMass bulk value than the one predicted before. The following fig-
ure compare both cases (the green line corresponds to the characterization without the bulk value and the pink
one has the results from the characterization that adjusts the NHV's of the pseudo components to the bulk
value).
The opposite behavior is expected if the NHV bulk value is lower than the predicted one.
References
2. Himmelblau, D.M.; "Basic Principles and Calculations in Chemical Engineering", 7th Edition, Prentice Hall,
Upper Saddle River, NJ, 2004
Oil Databases in VMGSim

Oil Characterization Database
General
The Oil Characterization Database is an electronic tool that stores information relating to oils that can be
accessed, manipulated and updated by the Oil Characterization environment in VMGSim. The information from
this database is used to characterize assays with laboratory experiments and install assay pseudo components
that can be used to model refineries and other related processes.
The pre-packaged oil database in VMGSim currently consists of 449 assays from the Environmental Science
and Technology Centre, a department of Environment Canada [1]. Each assay consists of various physical
properties such as distillation, density and viscosity curves. In addition to these assays, a user can build data-
bases with their own defined assays.
The Oil Characterization Database can be accessed once an Oil has been created; then, two buttons will
appear below the Active Assay frame: Load from DB to import an assay from a database and, Save to DB
that will allow exporting already created assays to a database.
Load an Assay from the Database

To load an assay from an specific database, click in the Load from DB button to bring up the Oil Database
browser.
Oil Database Browser
In this browser window, the active database assays can be selected and their experimental curves, properties
and general data can be inspected.
Assay Filters
Database
This frame contains a box where a desired Database can be select by means of a drop down menu.
Ready To Cut Assays Only

This toggle enables a “ready-to-cut” filter to hide assays that are not ready to be cut right away once they are
imported. An assay is can be cut when the minimal amount of information is available for the assay and all these
data is valid. For example if a database assay is missing a distillation curve or if the distillation curve does not
have at least 5 points, then the assay cannot be characterized.
Select Assay
This frame contains the assay collection available in the active database. Here the Assay Name, Liquid Density
@ 60 F and Molecular weight (if available) can be inspected.
Assay Data Preview

This data shows the experimental curves and general data available for the selected assay.
Curves Tab
Here the different types of available experimental curves can be selected to be seen in the plot area.
General Data Tab

General information about an assay is stored here.
Load Assay button

Once a database assay is selected, clicking on the Load Assay button will import the selected assay to create
a new Assay inside the Oil Characterization environment using the information from the database.
Save an Assay to the Database

Once an assay has been created in the Oil Characterization environment, it can be added to a User defined Oil
Database, to do this click in the Save to DB button to bring up the Oil Database manager.
Here the Assay can be added to the User DB and it can be saved with the desired name. Once this is done, all
the assay information will be available in the Assay collection of the User DB, including distillation and exper-
imental curves, bulk values and light ends compositions..
Environment Canada[1] Database

As mentioned before VMGSim contains a pre-packaged oil database based on the information of the Envir-
onmental Technology Centre from Environment Canada[1]. These database contains information for 449 oils
from around the world. Most of these oils contain distillation, density and viscosity curves as well as bulk liquid
density at 60 F.
Note:
If you want to add more than one Oil Database or want to share your database with other users within your com-
pany, please contact your VMG representative to guide you step by step in performing these tasks.
References
[1] Environmental Technology Centre (2014). Retrieved February 12, 2014 from http://www.etc-
cte.ec.gc.ca/databases/OilProperties/Default.aspx
H/CAMS Link
General
VMGSim offers a link to the H/CAMS family of software developed by Haverly Systems (http://www.haverly.-
com). H/CAMS software is dedicated to crude assay management: its tools provide access to crude assay
data, including commercial assay libraries, and offer crude property prediction through a vast number of cor-
relations.
The link between VMGSim and H/CAMS allows users to browse their H/CAMS crude data libraries from inside
VMGSim. Users can then select a specific crude to load its properties into the current VMGSim case.
The H/CAMS Link can be accessed once an Oil has been created; then, the Load from HCAMS... button will
appear below the Oil Database buttons in the Active Assay frame. This button will create a new assay with rel-
evant data from an H/CAMS crude.
Select H/CAMS Crude

Click the Load from HCAMS... button to bring up the crude selector tool from Haverly Systems.
This application is designed to browse crude data libraries in your drives. Basic information is listed for each
crude, and filters can be set up to sort through their properties.
Select a crude to import its data into VMGSim by double-clicking the row with the crude, or by clicking the first
down arrow on the bottom left
and then clicking Ok .
Note that a only single crude must be selected at a time to import properties into VMGSim.
Import Crude Data

The H/CAMS Data Preview form will display relevant data from the selected crude that would be imported into
the new VMGSim assay. This includes experimental curves, bulk properties and general data.
HCAMS Crude
The path of the selected crude file.
Select Crude...
Click this button to select a different crude using the crude selector application.
HCAMS Tags
General information about the crude as kept in the H/CAMS crude file. This information is not relevant in
VMGSim and will not be imported.
Curves (Tab)
Preview the experimental curves that would be imported in the plot area.
Data (Tab)
Preview bulk properties of the crude that would be imported.
Load Crude
Click this button to create a new Assay inside the Oil Characterization environment using the information from
the selected crude.
Refinery Process Modeling Fundamentals

Modeling of the Oil Refining Processes
Gerald L. Kaes, P.E.
Introduction
The oil refining processes present many challenges to the simulation user. While the unit operations and ther-
modynamics are not generally difficult to model, the accurate characterization of petroleum as defined com-
ponents or "pseudo components" can be difficult. In my experience, engineers today are too eager to develop
the unit operation models before adequately defining the feedstocks.
Other problems in simulation of oil refining processes include inaccurate or missing laboratory and plant data.
Translation of the PFD information into simulation models can also raise questions, in particular, what tray effi-
ciencies should be used in the simulation models. Remember that all simulation distillation calculations are
based on theoretical or "perfect" vapor/ liquid equilibrium stages. Actual trays do not perform as perfect trays.
Thermodynamics are not a great problem for most of the refining processes since the non-polar hydrocarbon
components do not exhibit large chemical effects with each other. Some of the treating processes such as
amine treaters and the petrochemical processes such as MTBE and TAME do behave non-ideally, and more
sophisticated thermodynamic models are required. This is also true of the extraction processes.
The pseudo components generated with most commercial simulators are not adequate to represent the reac-
tion processes and these processes must be modeled as "black boxes". This is also true of many of the stream
properties such as octane number, pour point, and viscosity. For these properties, the chemical type, e.g. par-
affin, olefin, aromatic, etc.,is a critical factor in determining the property.
This paper will discuss various aspects of simulation of refinery processes and serve as a guide in approaching
these projects. However, based on my experience in modeling refining processes and helping engineers to
model these processes I must state that the most important step is to first represent the feedstocks as accur-
ately as possible.
What Is Crude Oil?

Crude oil is a very complex mixture of thousands of hydrocarbons. In fact, an API project has identified nearly
20,000 components in a single barrel of Oklahoma crude oil. Furthermore, the composition of crude oil varies
from well to well and from geographic location to geographic location. Moreover, the composition from any
given crude oil well changes with time as the well is produced.
What type of crude oil is run by a typical refinery? The answer is a mixture of many different types of crude oil
from many individual wells. A crude oil may be designated as "West Texas Sweet" or "Light Arabian", but
remember that it is really a blend of the production of several wells in that field or fields and its composition can
change as the field is produced and more wells are added or old wells decline. Furthermore, refiners do not usu-
ally segregate crude oils in tankage, and the crude oil being processed by the refinery may be a mixture of sev-
eral crude oil fields.
This raises some interesting questions when using crude oil laboratory data to characterize the charge to a
refinery. First, what was the mixture, that is, what volume of each type of crude was run? The source of inform-
ation for this is the crude oil purchases. However, it is highly unlikely that the charge to the crude unit was a uni-
form mixture of all of the crude types purchased because of tankage limitations and the lack of mixers in crude
storage tanks.
The second concern is in the accuracy of the crude assay data in representing the current crude oil. Since
crude assays are very expensive to run, the interval between assays for a given type of crude oil may be rel-
atively long. This means that the crude assay data may no longer be a good representation for a crude oil since
the crude oil composition has changed with time. For refinery simulation, we had a rule that any crude assay
data more than two years old was no longer applicable. In fact, I have seen some crude oils in which an assay
six months old no longer represented the mixture.
What does this all mean to the simulation engineer? Simply this: the crude oil composition as represented by
using crude assay data may be a potential source of error when characterizing the refinery feedstock. For
crude oil, the best check on the assay data is a simulated crude assay produced by blending the actual products
from the crude unit. If there are significant differences, the crude oil properties produced by blending the
products should be used.
Refinery Laboratory Data

In particular, the laboratory distillations for the refinery feedstocks and products are the most important data for
simulation. For refinery streams, only a relatively small part of the stream is defined by discrete components,
that is, methane, ethane, propane, butanes, pentanes, etc. A large portion of the feed must be represented
with pseudo components, based on the laboratory distillation. A pseudo component is really an "average" com-
ponent which represents many real components which occur in a given boiling point range of the petroleum
stock. For example, a pseudo component may be defined which has an average normal boiling point of 112.5
degrees F to represent a boiling point range of 100 to 125 degrees F on the feedstock. The pseudo component
is also assigned other "average" properties as needed for the calculations.
All definition of pseudo components is based on the "True Boiling Point" distillation for the petroleum stream.
Thus, if another type of laboratory distillation is available for a refinery stream, it must first be converted to a
TBP basis. This will be discussed further in another section of this paper. Lab distillations are as follows:
TBP Distillation
A fractionating still is used to distill the petroleum stock. As the mixture is distilled, the overhead products are col-
lected and analyzed. Crude oils are typically separated into products approximating the crude column
products, that is, light gasoline, naphtha, kerosene, diesel, etc. For the heaviest portion of the sample the pres-
sure of the still is reduced to a vacuum of about 40 mm Hg. The heaviest material which can be distilled has a
normal boiling point of about 900 - 950 degrees F. This test takes a long time to run and is very expensive.
Therefore, most refiners reserve it for analysis of crude oil mixtures only.
ASTM D86 Distillation

The most common test run by refiners. A simple test corresponding to one fractionating stage at laboratory
pressure. The test is fast and inexpensive and finds utility in controlling the operation of the refinery units. It is
also used for product specifications. The test has a practical limit of less than 700 degrees F since most pet-
roleum stocks begin to crack and decompose at approximately 650 degrees F and atmospheric pressure. Test
points for the same sample are typically reproducible to plus or minus 5-6 degrees F. The lightest material in
many samples is lost since the initial boiling point is defined as the first drop condensed and the lightest material
in many samples does not condense. Also, the heaviest portion of many samples cannot be boiled out of the
flask and is reported as "residue". Thus, this test does not measure the lightest or heaviest components in most
samples.

This is a modification of the D86 test designed for heavy materials. The test is run at reduced pressures, allow-
ing a larger portion of the sample to be distilled than the D86 test. Many D1160's are run at 10 mm Hg which
allows the distillation of components with normal boiling points up to about 1100 degrees F. Some laboratories
can run the test at pressures as low as 1 mm Hg. All results are corrected to a 760 mm Hg basis by the labor-
atory for reporting. Because of the low pressure the test very closely approximates the TBP test. Note that this
method can measure higher boiling components than the TBP test. Thus it can be used to extend TBP data for
a heavy stock. This is the most accurate test for simulating refinery heavy streams, such as topped crude, FCC
slurry, and vacuum unit products.
ASTM D2887 Simulated Distillation

This method uses gas chromatography to separate an oil into components of measured molecular weights.
The data are translated to a "pseudo" laboratory distillation, based on the known boiling points of components
with similar molecular weights. Materials up to about 1000 degrees F may be separated by this method. Unfor-
tunately, there is not a good method available to translate this "distillation" to a TBP basis. It is reproducible and
useful for refinery control purposes, but very troublesome for simulation purposes. I have seen more than one
vacuum unit which could not be modeled accurately with D2887 data. When D1160 distillations were sub-
stituted, the units were modeled with ease. Be wary of this type of data, particularly for design. This will be dis-
cussed further in this paper.
Chromatographic Breakdown for the Light Components

These data are a must for many refinery streams. The test should be run for any assay stream which contains a
significant quantity of light ends. The commercial simulators can use this data to represent the lightest portion
of an assay stream with defined components, that is, ethane, propane, butanes, etc. This is absolutely essen-
tial data if the simulation model is to be used to predict the RVP of a gasoline stream or streams since the RVP
is directly related to the nC4 and iC5 content.
Conversion of Laboratory Distillation Data to TBP Basis

Several methods have been devised for conversion of non-TBP distillations to TBP distillations. All of the meth-
ods are empirical and based on curve fitting of experimental data. Therefore, all of the methods have inherent
inaccuracies and are biased toward the sample collection used in their formulation.
Remember that the simulator must have a complete definition of the boiling point curve for the assay stream.
For heavy streams with incomplete data, the curves must be extrapolated to estimate the full boiling range. All
simulators will extrapolate laboratory data to 100 percent distilled; they will also interpolate to determine inter-
mediate data.
Number one rule: NEVER allow a simulator to extrapolate your data. Simulators extrapolate with math-
ematics; engineers extrapolate with common sense. There can be a big difference.
Use probability distillation paper to extrapolate your data. There is a basis in fact that laboratory distillations fol-
low a probability distribution. Define an end point and draw a line connecting this point to the last reasonable dis-
tillation points. Read some points from the line to represent the curve. Believe me, this will be better than
allowing the simulator to perform this task.
Use the following approximate end points: light crude oil = 1600 F, heavy crude oil = 2000 F, heavy cracked
stock = 1200 F.
Simulators also provide a correlation to correct D86 data for cracking. This method applies a correction to the
D86 data based on the temperature. I don't like this correction - it is a simple exponential equation and very
approximate at best. Cracking is also strongly influenced by chemical type- thus the correction is more complex
and the simple equation is inadequate. I prefer to plot the distillation and apply my own correction for cracking.
Probability paper can also be used to guide these efforts.
D86 to TBP
The best method in commercial simulators was developed by Wayne Edmister and first published in the 1950's.
This was the standard in the API Technical Data Book until 1987 when a new correlation was introduced,
based on work at Penn State University. The 1987 correlation has proven to be flawed, and it produces incon-
sistent results. The work was revised and re-published in September 1994, using a correlating method similar
to Edmister's. The revised correlation can only be better than the 1987 method; however, I will not be com-
fortable with it until it is tested by industry. I recommend the Edmister method for conversions. This is the
default correlation for the HYSIM simulator. For the PRO/II program the 1987 method is used as the default
and you must request that the Edmister method be used.
Recognize that these conversion correlations can introduce appreciable errors into the simulated distillations,
particularly at the initial boiling point and end point where the correlation is not as well defined. Therefore, sim-
ulation specifications should always be made for the 5 percent and 95 percent distilled instead of the initial point
and end point.
D1160 to TBP
The method devised by Edmister is used. A small correction is applied to the distillation points below 50 percent
distilled. Above 50 percent, the D1160 is assumed to be the same as the TBP.
D2887 to TBP
There is not a proven method to accomplish this. A method which converted D2887 to D86 was developed and
published in 1987 by Penn State. This method was based on some laboratory samples, with the highest boiling
point being 763 degrees F (heavy diesel). Most commercial simulators implemented this method and use it for
simulated distillation conversion. Note that the D86 must then be converted to the TBP with another
correlation. Results were terrible. The 1994 publication by Penn State previously mentioned also provides a
new method for converting the D2887 to a TBP. This new method must yet be tested by industry. In the mean-
time, I prefer to use the method outside of the commercial simulators so I can test the results with reality. If you
have a design case, try to get the client to furnish you with D1160 data which is much more reliable.
Calculation of other Needed Properties for Simulation

After a suitable TBP distillation has been developed, the assay is divided into pseudo components using boiling
point ranges provided by the user. Most users allow the simulator to choose the boiling point ranges for them.
Interestingly, the default ranges for both PRO/II and HYSIM are: 100 - 800 F, 28 components; 800 - 1200 F, 8
components; 1200 - 1600F, 4 components. These boiling point ranges work OK for most (but not all) refinery
problems. It may be necessary to redefine the cut ranges for a problem to define the separation zones in the
columns. More on this later.
The commercial simulators can develop component gravities corresponding to the average boiling points of the
pseudo components based on only the average gravity of the total stream. However, the component gravities
can always be made more accurate by providing at least a few points on the gravity curve. A gravity curve
based on only the stream average gravity will be biased toward paraffinic components.
The molecular weight for a pseudo component is predicted from the average normal boiling point and gravity by
all of the commercial simulators. Unfortunately, this is not an adequate number of correlating variables to dis-
tinguish the chemical makeup of the pseudo component. That is, is the component paraffinic, aromatic, etc.?
There is no simple answer to this question and the simulators offer several molecular weight calculation
methods. In general, I recommend using the default method in the simulator, since other thermodynamic para-
meters are often tuned to the predicted molecular weights. Any time molecular weight information is available it
should be supplied. In general, the general predictive methods in commercial simulators are biased toward vir-
gin (uncracked) petroleum stocks. For this reason, it is usually not possible to simulate units with cracked feed-
stocks as accurately as those with virgin feeds.
All of the other needed component properties may be accurately predicted for hydrocarbons from the normal
boiling point, gravity and molecular weight. The simulator default methods should always be adequate.
A special case arises when laboratory data are furnished for refinery streams of different origins. That is, the
streams represent different chemical compositions such as virgin material and material from reaction
processes.
This may also occur when a model contains crude oils of different composition, for example, a light paraffinic
crude and a heavy asphaltic crude. The best solution to such problems is to use multiple sets of pseudo com-
ponents to preserve the composition effect as much as possible. It is not necessary or practical to use a unique
set of pseudo components for every stream in a flowsheet. Similar types of streams may be modeled with a
common set of pseudo components to keep the calculation times reasonable.
Summary on Characterization of Petroleum

A) This is the most important step in simulation of a refining process.
B) There are limits to the accuracy of laboratory data and tests.
C) There are limits in the accuracy of laboratory data conversion methods.
D) There are limits in the accuracy of representing the gravities of pseudo components.
E) There are limits in the accuracy of the methods which predict molecular weights for the pseudo components.
F) The pseudo component boiling point ranges supplied by the commercial simulators are not adequate for all
problems.
G) It may be necessary to use multiple sets of pseudo components in a problem to adequately represent com-
position effects.
Thermodynamics of Refinery Processes

As previously stated, for most processes the hydrocarbons behave ideally with one another and the phase
behavior may be represented with an equation of state. Simulator vendors have their favorite equation of state.
This means that their thermodynamicists tune these equations to match experimental data. For SimSci, the
SRK (Soave Redlich Kwong) and its derivatives are the preferred methods. Hyprotech (HYSIM) prefers the
Peng-Robinson equation of state. Both equations produce accurate results when properly tuned with exper-
imental data. Problem areas may exist where experimental data are not available such as some of the licensed
processes.
Virtual Materials Group recommends the following property packages for

general refinery modeling:
- Advanced_Peng-Robinson, normally referred to as APR.

- Refinery-SRK
Here are my recommendations for the refinery processes:
Heavy Ends Columns

This includes crude and vacuum, FCC main fractionators, and Coker bubble towers. I use the Grayson Streed
method - it is simpler than SRK or PR and gives reasonable results. SRK may also be used for such systems
with PRO/II and P-R with HYSIM. Grayson-Streed also gives reasonable results for the FCC gas plant if the
main fractionator and associated gas plant are modeled as one problem.
Light Ends Columns

This includes absorbers, strippers, de-ethanizers, depropanizers, stabilizers, splitters, etc. Use SRK in PRO/II
and P-R in HYSIM.
Hydrogen Rich Systems

This includes reformers, hydrocrackers, and hydrotreaters. The Grayson-Streed method is based on some
data for hydrocrackers and gives reasonable results for most parts of these processes. More accurate pre-
dictions of the hydrogen solubility in the hydrocarbon liquids may be predicted with the SRK and P-R equations
of state.
PRO/II is reputed to be most accurate when the SRK method is used in conjunction with the SimSci modified
"alpha" term. Alpha is the term which represents the vapor pressures for the hydrogen, methane, and other
pure components.
Hydrogen behavior is difficult to predict and you may find that one of the above methods matches your plant bet-
ter than another.
Sour Water Calculations

The commercial simulators have sour water packages which predict the behavior of NH3, CO2, H2S, and light
hydrocarbons with water. In PRO/II, the "SOUR" method may be used; in HYSIM, the "PRSOUR" method is
provided. The SRK-Kabaddi-Danner method is also provided in both simulators for rigorous treatment of
water-hydrocarbon mixtures, but the above methods should be better for sour components.
Sour water strippers present some special problems in modeling with VLE (vapor-liquid-equilibrium) data,
since there is also an important electrochemistry effect. Therefore, the stripping of the sour components is also
affected by the acidity (ph) of the feed. This effect cannot be modeled with VLE data alone. The ionic effects
require use of an electrolytic distillation method. Electrolyte calculations are more complicated than the stand-
ard VLE calculations.
When using the VLE method for design, a reasonable safety factor must be applied. Another complicating
factor today is that the stringent requirements for residual sour components in water may exceed the accuracy
of the experimental data used to tune the VLE method. For design, always check with the simulator vendor on
the expected accuracy of the calculated results.
Virtual Materials Group recommends the APISour property package for

the modeling of systems involving sour water.
Amine Systems
These systems are difficult to compute accurately with commercial simulators, especially the contactors which
exhibit non-equilibrium behavior. MEA and DEA may be simulated with reasonable results using the AMINE
data in PRO/II and HYSIM. Design of these systems must be done using design rules, not simulated results.
MDEA systems are more difficult to model. The MDEA data in PRO/II are not very accurate and totally inad-
equate for design. They are somewhat better in the HYSIM program. Almost no published data are available
for DIPA and the data in PRO/II is inadequate for design. In fact, I have had difficulty obtaining reasonable res-
ults for DIPA with PRO/II.
The mixed amine systems being marketed today contain MDEA and lighter amines. The data in PRO/II and
HYSIM cannot represent these systems.
PRO/II has data for DGA systems, but I have not had any plant data to test them.
Aromatics Extraction
These processes cannot be modeled with equations of state and activity coefficients are commonly used. It is
important to check with the simulator vendor to ascertain that data are provided or available. Some of these pro-
cesses such as SULFOLANE are proprietary and data must be obtained from the licensor. Such data cannot
be provided in the commercial simulators.
HF and H2SO4
No methods can represent H2SO4 and calculations must be on an H2SO4 free basis. HF behavior is also dif-
ficult to predict. The SimSci "HEXAMER" method is reputed to represent HF behavior. I have not personally
tested it.
Propane Deasphalting, Dewaxing, Etc

I don't believe it is worth the effort to simulate these processes. The pseudo components produced by com-
mercial simulators do not identify a component as wax or asphaltene. Therefore, the user must designate
some of the components as wax or asphaltene and then develop thermodynamic parameters to predict the
appropriate behavior. To me, this is a tremendous amount of work to define an answer you already know.
MTBE Plants
Both PRO/II and HYSIM have NRTL activity coefficient data for these systems which give reasonable results.
Missing coefficients may be estimated with the UNIFAC method. The calculations can always be made more
accurate by supplying special activity coefficient data. I don't think that the furnished data are as reliable for
TAME systems. Therefore, always check with the simulator vendor when modeling these systems.
Simulation of Refinery Stream Properties

Simulation of many of the stream properties is difficult. Vapor pressures and Reid vapor pressures may be pre-
dicted within experimental accuracy (plus or minus 0.5 psi) if the light end components have been defined for
the simulation. The RVP may be checked by calculating the stream bubble point pressure corresponding to
100 degrees F. This "true" vapor pressure should be nearly identical to the Reid vapor pressure.
For most hydrocarbon streams the heat capacities, thermal conductivities, and liquid surface tensions may be
predicted reasonably accurately with the generalized methods provided in the simulator. Not so with vis-
cosities.
The predictive viscosity methods in commercial simulators are biased toward light components and usually pre-
dict reasonable viscosities for gasolines and light distillates. They are woefully inaccurate for heavier streams
and full range crude oil. PRO/II has a special method for heavy liquid viscosities, but it is still very approximate
at best.
When viscosity is an important property to simulate for heavy streams it is best to provide experimental data and
allow the simulator to "blend" the component and stream data with blending indices.
The above discussion also applies to pour points and cloud points. No accurate predictive methods exist.
Moreover, these properties are direct functions of the wax content of the stream and the pseudo components
are too general in nature to represent wax.
The general predictive methods for flash point are based on the simulated 10 percent distilled for the stream.
The test itself is accurate to plus or minus 10 degrees F and the correlations are approximate at best. Again,
plant data should be used to check the reasonableness of predicted results.
Component additive properties such as sulfur, con-carbon, and metals distribution may be represented reas-
onably accurately by supplying laboratory data since these properties correlate well with the boiling point curve
for a petroleum oil. There are no predictive methods.
Octanes cannot be predicted accurately for two reasons: first, the chemical types are not known for the pseudo
components and this is an important factor in the component octane. Secondly, component octanes do not
blend linearly because of interactions between the chemical types. Refiners make use of this fact to optimize
their gasoline blends.
Commonly Missing/Inadequate Data In Refinery Simulation

Complete Distillations For Heavy Petroleum Streams
Complete distillations for heavy streams such as vacuum unit streams, full range crude oil, FCC slurry are often
not available. Remedy: Get a D1160 distillation if possible (especially for design). Otherwise, use probability
distillation paper to extrapolate the available data. Never allow the simulator to extrapolate for you.
Steam Flows for Crude-Vacuum Systems

Side stripper flows may be estimated using typical design flows of 0.1 to 0.2 lbs steam per gallon of stripped
product. Bottoms steam is much more important. For a crude column this affects the partial pressure of the
crude in the flash zone. For a 100,000 BPSD crude column, I calculated the following:
Lbs/hour steam Flash Zone, degrees F

5,000 680
10,000 670
An accurate flow for the stripping and coil steam is necessary for the vacuum unit since the design point is
based on a desired hydrocarbon partial pressure. In a wet vacuum unit the partial pressure is attained by addi-
tion of steam.
Steam also has an important effect on the quench duties calculated for FCC main fractionators because of the
high specific heat of steam relative to hydrocarbon. Appreciable quantities of steam are used to strip the oil
from the catalyst and this steam enters the main fractionator with the reactor effluent.
Pumparound Rates
These are rarely accurate. Try to verify them by checking the heat transfer on both sides of the exchanger. In
simulation never use the pump around return temperature as a specification. The reason: unless the draw tem-
perature is perfectly matched (not likely), the heat removal from the simulation model will not be the same as the
plant. Distillation columns only care about the total heat removal in pump around sections, not the return tem-
peratures.
Top Reflux for Complex Columns

In my experience the top reflux measurement for FCC main columns, crude columns, etc. are not very
accurate. The measurement is primarily for control, where it is used as a guideline.
Column Top Temperature

For crude, FCC main fractionators, and coker columns the plant value is always 10 - 25 degrees F lower than
the simulated value. There are several possible explanations for this, one is that the simulated top temperature
is the equilibrium value and the plant measurement may be influenced by entrainment, etc. If the simulated
overhead product matches the plant that is the best you can do.
Delayed Coker Effluent

The gas oils and lighter products do not represent the total coke drum vapors. A "hidden recycle" of heavy
material is quenched from the coke drum effluent in the heavy coker gas oil wash section. This recycle has an
approximate TBP distillation of 800 - 1200 degrees F and must be approximated and added to the other
products to simulate the coke drum vapors. The quantity of material must be adjusted to match the column heat
balance.
Simulation of Distillation Columns

Fundamentals
All distillation problems can be approached with the following methodology. First, define the separation in
terms of "key components" and, secondly, determine the "separation zones" in the column between adjacent
products. Key components separate into the top and bottom products, with the light key recovered primarily in
the overhead product and the heavy key recovered in the bottom product. The separation zone is the range of
distributed components, that is components which appear in both products in significant quantities. Non-dis-
tributed components have little effect on the separation.
For columns with defined components such as depropanizers, debutanizers, etc, it is easy to identify the key
components. For many columns, the light and heavy key components are adjacent in volatility order. For
columns with mixtures of paraffins and olefins the key components are usually "split", that is, other components
occur between them in volatility order. Any column for which the separation keys can be "specified" is easily
solved for a unique solution. For existing columns this solution will also agree with the plant reflux quantity and
reboiler duty.
Some times the separation keys are defined indirectly. For example, specification of the Reid vapor pressure
for the bottom product from a stabilizer is equivalent to specifying the light key since the vapor pressure is
primarily caused by the light key (n-butane). For a naphtha splitter in which the feed is represented by pseudo
components, the 95 % distilled of the overhead corresponds to the heavy key and the 5 % of the bottoms cor-
responds to the light key.
While this approach may seem oversimplified, it is very effective in solving distillation problems. The algorithms
in commercial simulators can solve most problems with a minimal amount of information from the user. The
leading cause for failure of calculations is faulty specifications or "overspecification" of the separation. This can
never occur if the separation key concept is used to select specifications. Specifications based on non-dis-
tributed components or distributed non-key components result in multiple, trivial solutions.
Separation zones are very important for complex fractionators such as crude and vacuum units. There must be
at least 6-8 significant pseudo components in these zones for the solution to be meaningful. Fewer pseudo com-
ponents cause the separation to be discontinuous and a small change in the column operation may predict a
large change in the product flows. This does not correspond to the actual operation in which the crude oil is a
continuum of components. Note that the results for these types of columns depend largely on the separation
zone components. Non-distributed components have little effect. The critical separation zone for crude and
vacuum columns is the flash zone. Good definition of the vacuum column flash zone requires a D1160 dis-
tillation for the feed and/or the products. TBP distillations cannot reach the cut point temperature between the
heavy gas oil and the residue.
An unusual case is presented when a narrow cut naphtha product is withdrawn from a complex fractionator. To
match the plant separation it is necessary to define many components for the boiling point range of the naphtha.
For complex fractionators such as crude, vacuum, FCC main fractionators, etc, the definition of the pseudo com-
ponents is much more important than the number of theoretical trays used in the model. To define the column
feed is to define the column products for such columns. The number of theoretical trays in the model has little
influence on the separations. The separations and resultant product distillations depend mostly on the product
rates. Thus, to lower the end point of a product, the rate of the next lower product must be increased. The plant
operation behaves in this fashion also.
Theoretical Trays vs. Actual Trays

Distillation calculations are based on theoretical trays, that is, perfect vapor-liquid equilibrium stages. Columns
contain real trays which behave less than ideally. Therefore a translation must be made from actual trays to the-
oretical trays. This is accomplished with tray efficiencies. (Note that for design the translation is from the-
oretical to actual trays.)
Overall tray efficiencies must be used for a valid simulation model. Overall efficiency is defined as the number of
theoretical trays divided by the number of actual trays. There are no generalized correlations which can trans-
late actual trays to theoretical trays. Prediction of overall tray efficiency is a very complex problem. Therefore,
overall tray efficiencies based on experience must be used. The next page presents some reasonable values
based on experience.
Column Type Actual Trays Typical Overall Efficiency Theoretical Trays

(%)
Absorber/Stripper 15 - 30 20 - 30
Side stripper(Stm) 6- 8 (2)
Side stripper(Reb) 7- 10 (3-4)
Reboiled Absorber 25-40 45 - 50
Deethanizer 35 - 35 65 - 70
Depropanizer 35 - 40 70 - 80
Debutanizer 38 - 45 85 - 90
Alky DIB (refluxed) 75 - 90 85 - 90
Alky Stripper 55 - 70 55 - 65
Naphtha splitter 25 - 35 70 - 75
C2 Splitter 110 - 130 95 - 100
C3 Splitter 200 - 250 95 - 100

C4 Splitter 70 - 80 85 - 90
Amine contactor 20 - 24 (4-5)
Amine regenerator 20 - 24 (9 - 12)
Crude tower 35 - 50 50 - 60
Stripping zone (1-2)
Wash zone (3-4)
Gas oil-Diesel (4-5)
Diesel-Kerosene (4-5)
Kerosene-naphtha (4-5)
Naphtha-Gasoline (6-8)
Pump around sections (2: Draw & return)
Vacuum Column
Stripping section (1)
Wash zone (1-2)
HVGO Section (2)
LVGO Section (2)
FCC Main fractionator 50 - 60
Bottoms subcooler (1)
Quench zone (2)
HGO Zone (2-3)
HGO - LCGO Zone (3-4)
LGO- Gasoline (5-7)
Note: For packed columns a rough estimate of 2 feet of packing per theoretical tray may be used.
The commercial simulators provide tray efficiency models. These models should not be used since they do
not correspond to overall tray efficiencies. For design, they are a disaster waiting to happen. Here is the
problem: all of these tray efficiency models result in the liquid and vapor leaving a tray not being in equilibrium.
This causes serious problems with heat and cooler duties. Moreover, while a plant test point may be matched
by using these models, the resultant simulation may not be used with confidence for other column operating con-
ditions since the calculations no longer obey fundamental chemical engineering theory. I have seen many
cases where a tray efficiency model was used to match a column test point and the resultant model was worth-
less for predictions at a different operating point. Furthermore, there is no way to translate to actual trays for the
design case when using these models. Were I to write a simulator I would never provide such a worthless and
dangerous feature.
Expected Accuracies
Distillation columns can be matched to plant operations with good accuracy. When there is serious dis-
agreement between a good simulation model and the plant there is usually a problem in the plant operation
such as flooding, upset trays, etc. Thus, column models are very useful for plant troubleshooting.
Light ends columns may be matched within a few degrees F at the key trays in the column. The product com-
positions, reflux rate, condenser, and reboiler loads can also be matched accurately.
For complex columns the matches are not as good since a limited number of pseudo components are being
used to represent a continuous mixture of components. The product draw temperatures are the bubble points
of the products. Bubble point is strongly influenced by the light components in the mixture. Thus, increasing the
number of light components in a product can improve the draw temperature prediction.
Because of the limited number of pseudo components used in crude/ vacuum simulation models, the simulated
draw temperature may not agree exactly with the plant draw temperature. However, the tray above the draw
tray will be lower than the actual draw temperature and the tray below will be higher than the actual draw
temperature. Therefore the plant result is "bracketted" by the simulated result. To improve the match of draw
temperature the number of pseudo components may have to be increased. More than likely, a small adjust-
ment in the product rate will also be necessary to exactly match the plant draw temperature. For crude columns
a mismatch of 10 - 20 degrees F is not unusual. For vacuum columns, the mismatch may be 20 -40 degrees F.
For columns with cracked components such as the FCC main fractionator, the match to plant data will probably
not be as good as that for the crude column. This is caused by the simulation of the pseudo component prop-
erties, which are biased toward non-cracked components by the predictive correlations. The problem in match-
ing the top temperature for FCC main fractionators and crude columns has already been discussed.
For crude and vacuum columns, the flash zone temperature is a strong function of the bottoms steam. Unfor-
tunately, this rate is often not known accurately. The steam rate for a vacuum column may be checked by the
following procedure. First, calculate the required flash zone pressure to match the vaporization of the hydro-
carbon charge to the column at the flash zone temperature. Next, calculate the moles of steam which must be
present in the column flash zone such that the steam partial pressure plus the hydrocarbon partial pressure
equals the flash zone pressure.
Some columns have subcoolers on the bottom in which some of the cooled bottom product is circulated to the
bottom of the column, below the trays. FCC main fractionators often have this feature; vacuum columns with
flash zone temperatures above about 730 F also have this feature. The purpose of the subcooler is to cool the
column bottoms below 700 degrees F and suppress cracking and hence coking of the bottom of the column.
For columns with subcoolers, the bottoms temperature is not the equilibrium temperature of the bottoms
product. To match such columns it is necessary to add an additional tray below the bottom tray to represent the
subcooler, specify the subcooled temperature, and compute the required subcooling duty. To meet the require-
ment that each tray have an exiting liquid and vapor, a small amount of an inert gas may be charged to this tray.
Refinery Reactors
The limited set of pseudo components defined by commercial simulators makes it impractical to rigorously sim-
ulate most of the refinery reactors. Rigorous simulation of reactors requires more information than is commonly
defined for the pseudo components, for example, type of hydrocarbon, branching, etc. The pseudo com-
ponents represent a boiling point range of hydrocarbons, and in the real world one pseudo component may rep-
resent 10 or more real components which could be of differing hydrocarbon type.
Reactors which fall into this category include the FCC, naphtha reformer, hydrotreater, hydrocracker, coker,
and visbreaker. While it is possible to model the alkylation unit rigorously, it is tedious to write all of the reaction
details and a useful model may be produced by basing the yield of an average alkylate product on the olefin and
isobutane content in the feed.
The "black box" approach is used to model the above reaction systems. In this approach, the weight of the net
reaction products( recycle free basis) is set equal to the feed weight plus the weight of H2 consumed (when
applicable). Note that a reactor block need not be used at all for this approach. Thus, a weight balance (but not
mole balance) is maintained across the reactor. The recycle gas, if present, is added to the feed and net reactor
product to produce the total reactor charge and product.
Petrochemical reactors such as MTBE and cyclohexane units may be modeled with the stoichiometric reactor
by defining the reactions in terms of defined components. Note that the alkylation and polymerization reactors
can also be modeled in this fashion by writing all of the reactions in terms of defined components.
Hydrogen plants and methanol plants can be handled in a different fashion. The steam cracking reactions in
the reformer may be modeled with the Gibbs free energy minimization reactor. This method predicts the
reactor products based on the feed components present and works well for steam reforming. The shift reactors
in these plants may be modeled with an equilibrium reactor in which the shift reaction is considered. PRO/II has
a special reactor module for shift reactors. The methanation reaction can also be modeled as a stoichiometric
reactor in which the methanation and shift reaction occur. Again, PRO/II has a special reactor block defined for
this purpose.
It is futile to model multiple bed reactors such as reformers as more than one black box since the intermediate
reactions cannot be predicted. For furnace duty calculations the heat capacity of the initial reactor feed plus
recycle is adequate.
Recycle Processes
When recycle calculations do not converge it is almost always because there is a material balance problem.
Remember that we are doing steady state simulation and every component must be balanced in the flowsheet.
In simple terms, we may write the following general material balance equation:
IN - OUT (in products) - CONSUMED (in reactions) = 0.0
The hydrogen recycle processes such as the hydrotreater and hydrocracker must have a purge stream in which
the exact quantity of hydrogen is calculated to balance the flowsheet for a given hydrogen makeup rate. This
rate can be easily calculated with the CALCULATOR module in PRO/II. The makeup rate can be changed with
a feedback controller until the purge flow is zero if desired. However, I prefer to maintain a small purge flow in
the model to make it more robust.
The reformer is not a recycle problem. The net products can be combined and the separator calculated. The
gas composition is identical to the hydrogen recycle. Thus a hydrogen recycle stream of the determined com-
position can be defined and added to the fresh feed naphtha to determine the feed to the first reactor. The out-
let from the final reactor is the net reactor product plus the recycle hydrogen.
The hydrogen processes in refineries all have the same pattern of convergence for the hydrogen recycle. The
convergence is always unidirectional and asymptotic in shape. The Wegstein convergence acceleration tech-
nique causes these systems to converge rapidly. For example, it may take 25 trials with direct substitution and
5-8 trials using the Wegstein accelerator.
Another consideration in recycle problems is the need for nested recycle calculations. For the hydrocracker in
which the reactor quench is calculated, the reactor heat balance must be converged inside the hydrogen
recycle loop. Otherwise, the heat balance trial will introduce too much "noise" to converge the hydrogen
recycle. If another loop is used to adjust the makeup hydrogen rate, it must be outside the hydrogen recycle
loop. Thus, each trial of makeup hydrogen is based on a converged recycle composition.
A word of caution: PRO/II normally draws only one recycle loop for any problem. This is the largest inde-
pendent loop that may be defined. You may have to define your own recycle loops to insure that the inside loop
is closed first for problems with nested loops.
Another word of caution on recycle problems. PRO/II considers four recycle tolerance parameters, the stream
temperature, pressure, composition, and smallest component to consider for convergence. The last criteria
can be a problem. Normally, components are converged to 0.01 and the smallest stream component to con-
sider is 0.01 mole fraction in the stream. For some problems, the component of interest to be converged is smal-
ler than 0.01 fraction of the stream and it is necessary to change the criteria so the component is considered in
the convergence.
Some Practical Aspects Of Modeling Crude Oil Distillation

Gerald L. Kaes
Introduction
Crude oil distillation began in the United States in 1861. It was born out of an early oil crisis - there was a short-
age of whale oil for the lamps of the day. Early refiners focused on recovery of the kerosene portion of crude oil
with batch stills for use as a substitute for whale oil. The lighter and heavier portions of the crude oil were often
discarded since there was no established use for them.
Today crude oil distillation is only the first step in the refining process for petroleum. The crude oil is broken into
several fractionation products that are routed to other refining processes for production of salable petroleum
products. This is accomplished in a pipe still that typically contains 40 to 50 vapor/liquid contact devices (trays).
Unlike most distillation columns, the crude oil still does not have a reboiler, and all of the heat input is supplied by
heating the crude oil charge in a furnace.
Because crude oil distillation is the first step in the refining process, all of the feed to the refinery must pass
through the pipe still(s), resulting in high flow rates and large energy consumption. This provides good eco-
nomic incentive for improvements to the process since a small improvement in the operation translates into a
large saving in operating cost. This also provides a good incentive for modeling the crude still as a first step in
improving the process.
The Nature of Crude Oil

Crude oil is a naturally occurring liquid resource produced from wells drilled into the earth. It is produced in
nearly every corner of the globe. The nature and chemical composition of the crude oil vary widely, depending
on the geographical region from which it is produced. Moreover, the composition of the crude oil from any given
well also changes with time as the well is produced.
Gary and Handwerk [1] report that the elementary composition of crude oil usually falls within the following
ranges:
Element % by weight
Carbon 84 - 87
Hydrogen 11 - 14
Sulfur 0-3
Nitrogen 0 - 0.6
Crude oil is a very complex mixture. API Project 6 has succeeded in isolating thousands of distinct hydro-
carbons from a single sample of Oklahoma crude oil. In general, such comprehensive analyses are not con-
ducted on crude oils. No attempt is made to analyze for pure components in crude oil except for the lower
boiling point distilled components (or light ends). Alternately, a number of simple tests are used to evaluate
crude oils as potential refinery feeds.
These tests include density (or gravity), boiling point range, characterization factor, sulfur content, carbon
residue, salt content, metals content, nitrogen content, and pour point. Further information on these tests is
given in books by Kaes [2] and Gary and Handwerk [3].
Three general classes of hydrocarbons are present in crude oil: paraffins (alkanes), naphthenes (cyclanes),
and aromatics (derivatives of benzene). Significant quantities of olefins (alkenes) do not occur naturally in
crude oil. Paraffins range in boiling point from methane to compounds exceeding 1000 degrees F (538 degrees
C). Naphthenes have at least one saturated ring and range from cyclopentane through complicated multi-ring
compounds. Aromatics range from benzene through multiple condensed-ring structures with 56 carbon atoms
or more. As long side chains are added to the ring structures they become more paraffinic in their properties
and behavior. This makes it difficult to classify most crude oils as one particular class of hydrocarbons.
What Crude Oil is the Refinery Processing?

This question may seem simplistic, but it is the first matter to be resolved when modeling crude oil distillation.
Refineries typically have many crude oils available for processing, and the corporate crude oil traders may
exchange crude oils to gain economic advantage for the corporation. This means that the slate of crude oil pro-
cessed in any given refinery is subject to change.
Further complications arise from the way the crude oil is handled within the refinery. Crude oil arrives to the
refinery via pipelines and ships. It is not likely that sufficient storage is available to segregate every batch of
crude oil; therefore, similar types of crude oil are often mingled in storage. This creates a problem in identifying
the actual crude oil mixture processed during any given plant test. The engineer conducting a plant test may
have to rely on accounting information to determine the crude oil mixture being processed during the test
period. Needless to say, this approach is not the most accurate means for determining the actual crude oil mix-
ture processed during a plant test.
Practical Aspects of Crude Oil Laboratory Data

Laboratory analyses for crude oil are time consuming and very costly. Consequently, the crude oil mixture
charged to the pipe still is rarely analyzed as part of the plant test procedure. Rather, the engineer relies on pre-
vious analyses for the crude oil(s) when constructing the charge to the unit for modeling purposes.
An abundant supply of crude oil assay data is available within most oil company libraries and in open literature.
These assay data typically include true boiling point (TBP) distillation, gravity versus percent distilled curve, and
the laboratory tests for several fractions of the crude oil sample. The fractions are selected such that they cor-
respond to typical products of crude oil distillation. These data are useful for economic evaluation of crude oils.
Crude assay data are also convenient for representation of the crude oil(s) charged during plant tests. When a
mixture of several crude oils is processed, the engineer simply blends the data for the individual crude oils to
determine the composite properties of the charge to the refinery pipe still(s).
This is an oversimplification of the problem for several reasons. First, it is not easy to determine the precise mix-
ture being processed during a typical plant test of several hours as has been previously discussed. Prediction
of the crude oil mixture from accounting data assumes that a so-called "average" mixture of crude oils (perfectly
mixed) is in the charge tank(s) during the plant test period.
Second, the crude oil data on file may no longer accurately represent the crude oil. Any given crude oil is in
itself a mixture from a myriad of individual producing wells. The composition of the crude oil being produced
may vary significantly within as small a geographical area as a production field. Furthermore, the composition
from any producing well changes over time as the well is produced. Thus as wells are produced and additional
wells and fields are brought on-line, the composition for any given crude oil may change significantly.
In the author's work with crude oil distillation for a major oil company, crude oil assay data more than two years
old were considered to be inaccurate for modeling purposes. In fact, the author has seen significant changes in
the compositions for some domestic USA crude oils that invalidated the crude assay data in less than one year.
Incredibly, the author was once asked to comment on a crude oil distillation design case for which the crude oil
assay data were more than 20 years old!
Practical Limitations of Crude Oil Assay Tests

The TBP distillation is the single-most important information for any crude oil for modeling and design purposes.
Without an accurate boiling point curve for the crude oil, the modeling project is doomed to failure. It is inter-
esting that for a test so important there are no standard test procedures and a number of different methods are
used with slightly differing results. See Kaes [4] for further discussion of the various tests.
The TBP distillation tends to separate the individual mixture components relatively sharply in order of boiling
point and is a good approximation of the separation that may be expected in the plant. As the lighter com-
ponents are distilled from the crude oil, the pressure of the TBP still is reduced. For many of the TBP appar-
atuses, the minimum pressure attainable is 40 mm Hg. The highest temperature that can be measured for
most crude oils subsequent to cracking the oil is in the temperature range 925 to 975 degrees F (496 to 526
degrees C) for still data corrected to a pressure base of 760 mm Hg.
According to Nelson [5], the actual TBP end point for crude oil is greater than 1400 degrees F (760 degrees C)
and may exceed 2000 degrees F (1094 degrees C) for asphalt base crude oil. Thus, a significant portion of the
boiling point curve for a crude oil is not defined by this procedure.
The boiling curve from the TBP distillation procedure may be experimentally extended through use of the
ASTM D1160 vacuum distillation procedure for the residue from the TBP still. This test is commonly run at 10
mm Hg and can measure temperatures up to 1050 to 1125 degrees F (566 to 607 degrees C) when corrected
to a 760 mm Hg basis. The ASTM D1160 distillation is equivalent to the TBP distillation for these temperatures
and no correction is applied.
The practical reality is that a TBP curve by itself is barely sufficient to define the separation that occurs in most
crude columns. In fact, for simulation purposes it must be extrapolated to provide sufficient information for cal-
culations in the vacuum column that typically follows the crude column. This means that the flash zone cal-
culations in the vacuum column may depend on extrapolated (versus measured) data. The ASTM D1160
extension of the TBP improves the accuracy of the predicted flash zone separation in the vacuum unit by provid-
ing real data.
Because of their high cost, TBP analyses are being replaced with chromatographic simulated distillations.
These tests are described by Kaes [6] and compare the column retention times for the various fractions to those
for normal paraffins to assign "boiling point" values to the chromatographic results. For paraffin and naph-
thalene based crude oils, the simulated distillation corresponds closely to the TBP distillation. However, for
crude oils with substantial quantities of aromatic compounds, the simulated distillation predicts boiling point tem-
peratures that are lower than the TBP distillation. For further discussion of the "paraffin bias" of simulated dis-
tillations see Kaes [7].
The first simulated distillation procedure was the ASTM D-2887 procedure. This procedure has an upper boil-
ing point limit of about 1000 degrees F (538 C) that renders the method unacceptable for crude oil. This
method has been extended to approximately 1140 degrees F (616 degrees C) in the ASTM D-2887-extended
procedure. This method is sometimes used to analyze crude oil, but it is not particularly satisfactory either. For
both of these methods the higher boiling point portion of the simulated TBP curve tends to be flat versus the nor-
mally expected upward concave shape.
The high temperature simulated distillation (HTSD) measures temperatures up to 1382 degrees F (695
degrees C) and is more accurate than the methods discussed above. However, the boiling point curve pro-
duced with this procedure also has a definite bias toward paraffin normal boiling points. Therefore, corrections
should be applied for crude oils containing significant quantities of aromatic compounds with normal boiling
points higher than 500 degrees F (260 degrees C).
Generalized correlations for converting ASTM D86 and ASTM D1160 boiling point data to equivalent TBP
curves and vice versa have been successfully used for many years. Such correlations are available in nearly
every commercial simulator program. However, there are no reliable generalized methods for converting sim-
ulated distillations to TBP distillation equivalents. While some methods for simulated distillation conversion are
offered in commercial simulator programs, they are inaccurate and should not be used for crude assay data.
Accurate conversion of simulated distillation data for crude oils to TBP equivalents requires supplemental labor-
atory data for the crude oil, since the boiling point corrections are strongly dependent on the crude oil com-
position, i.e., aromatic content. In essence, each crude oil has a unique set of correction factors for conversion
of the simulated distillation to the equivalent TBP distillation.
Practical Realities for Petroleum Pseudo-components

The first step in building a crude distillation model is transformation of the crude assay data into petroleum
pseudo-components or "cuts". This step is illustrated in Figure 1. Each cut represents a portion (liquid volume
or mass basis) of the TBP boiling point curve and is assigned a normal boiling point equal to the average value
for the entire cut. The obvious first step in defining the cuts is conversion (if necessary) of the laboratory dis-
tillation for the crude oil to a TBP equivalent basis.
As previously mentioned, there are no reliable correlations for conversion of crude oil simulated distillations to
TBP distillations. When simulated distillation data are provided they should be supplied to the simulator pro-
gram as a mass TBP boiling point curve. Any corrections for deviation from the true TBP distillation must be per-
formed on a manual basis outside the commercial simulator program. This will be discussed later in this article.
Figure 1 Development of Petroleum Pseudo-components for Crude Oil
To establish the corresponding mass or liquid volume for each cut it is necessary to define a gravity for each cut.
When a gravity curve is provided for the crude oil, these data are used to define the average gravity for each
cut. When no gravity curve is provided, most commercial simulators estimate the individual cut gravities by
using the TBP equivalent boiling point curve and the average stream gravity for the crude oil. The technique [8]
most commonly used to predict the cut gravities from the average stream gravity and the boiling point curve is to
assume that the Watson-Murphy K factor is constant (or nearly constant) for the entire crude oil boiling range.
This is not a particularly good assumption for full boiling point range crude oil.
Figure 1 illustrates the error in the cut gravities that is introduced with the constant K factor technique. Note that
the lower boiling cuts have API gravities that are too low, i.e., these petroleum pseudo-components are too
dense. On the other end of the boiling point curve, the cuts have API gravities that are too high, i.e., these
pseudo-components are too light. In terms of the compositions of the pseudo-components it may be said that
the low-boiling cuts are not sufficiently paraffinic and the high-boiling cuts are too paraffinic. This error in char-
acterization affects the other predicted cut thermophysical properties, and in particular the cut molecular
weights.
The next step in development of properties for the petroleum pseudo-components is prediction of the molecular
weight. Several correlations are made available in commercial simulator programs that relate the normal boil-
ing point, gravity, and molecular weight for hydrocarbons. All other necessary thermophysical properties may
be predicted for hydrocarbons from the normal boiling point, gravity, and molecular weight. Note: It is generally
advisable to use the default molecular weight correlation in commercial simulators since other thermophysical
properties may be correlated to the default molecular weights.
How Many Pseudo-components Should be Used to Characterize Crude

Oil?
In the days prior to computer programs, crude oils were represented with fewer than ten petroleum pseudo-
components or cuts. Crude oil distillation columns were designed and built, with many still in operation today.
Of course, the key to early designs was using a large safety factor.
As simulators gained popularity in the middle 1970's, computers were relatively primitive and virtual storage
was unknown. Therefore early simulators were designed for a maximum number of components based on
fixed dimensional arrays within the programs. The most popular number of components was 50, and the cuts
used to represent petroleum were designed around this number. Interestingly, this number is still widely used
in simulators today, with the same designer cuts of the 1970's.
These cut point ranges give reasonable results for most refining problems and are as follows:
TBP range, F TBP Range, C Number of Pseudo-components (cuts)

< 100 < 37.8 Use actual components (pentanes and lighter)
100-800 37.8-427 28
80-1200 427-649 8
1200-1600 649-871 4
Recall that full boiling point range crude oil contains thousands of real components. Yet the simple boiling point
cuts given above produce reasonable answers for many crude distillation problems.
The number of cuts to use for any petroleum problem is dependent on the distributed components in the frac-
tionation zones, where a fractionation zone is defined as a distillation column section in which two products are
separated. The distributed components appear in both products. For reasonable results, there should be at
least 6 to 8 significant distributed components in the two products of separation.
Figure 2 Simulation of "Heartcut" Product Streams

For crude oil distillation, the number of cuts may be tested with a sensitivity study on the model in which each
product yield is varied. The model should respond in similar fashion to an actual column, i.e., in a continuous,
smooth fashion with no large step changes in the tray temperatures or drastic changes in the boiling point
curves for the products. When step changes occur, the model does not have a sufficient number of distributed
boiling point cuts. To correct the model, additional boiling point cuts should be defined in the boiling point range
of the distributed components.
One other case for additional cuts in a boiling point range is worthy of note. This occurs when a relatively flat
boiling point curve product ("heartcut product") is distilled. This product generally corresponds to a flat region of
the TBP curve for the feed stock. Figure 2 illustrates this situation. It is absolutely necessary that additional cuts
be added in the boiling point range for the "heartcut" product to resolve this problem.
A Practical Way to Verify the Accuracy of the Crude Oil TBP Curve
Many hours of frustration may be avoided if the crude oil TBP curve is tested prior to development of the crude
column model. W. L. Nelson [9] presents four principles for the operation of crude columns:
- The yield of a given product is primarily a function of the composition of the feed mixture, not the degree of sep-
aration.
- The number of trays only slightly alters the boiling range of the products as defined by ASTM initial and end
points.
- The initial boiling point of side draw products is always low, and must be corrected by either steam stripping or
reprocessing.
- The end point of a side draw product is primarily controlled by opening or closing the draw valve to change the
yield.
Freely translated to the modeling of crude oil distillation, Nelson's four principles are:
- If the composition of the feed is incorrect, it is impossible to match the yields by changing the column con-
figuration or operating conditions.
- Separations in crude columns are insensitive to the number of contact trays used in the sections.
- Crude columns do no significant stripping of the side products- they must be stripped in attached stripping
columns.
- The product final boiling points are controlled by draw rate, not fractionation.
Notice that the first and last of these principles predicate an accurate representation of the crude oil boiling point
curve. Without question, the single-most important step when modeling crude oil distillation is development of
an accurate characterization for the crude oil. No amount of adjustment of the column model can compensate
for a poor representation of the crude oil feed.
The accuracy of crude oil assay data in representing the unit being modeled may be tested by reconstruction of
the crude oil TBP curve from the actual product data. This is easily accomplished with a commercial simulator
program by entering the laboratory data (distillation and gravity) for the various products from the unit and cre-
ating flow sheet streams at the observed flow rates. The individual flow sheet streams are combined and the
composite TBP curve is predicted.
This composite curve may be compared to the TBP curve for the crude oil assay data. If there are significant
variations between the curves: a) the crude assay data do not represent the crude oil being processed for the
plant test, b) there may be an error in one or more of the plant product rates, c) there may be a significant par-
affin bias in a simulated distillation that must be corrected. Variations between the crude oil assay and the
product composite curve should be resolved before any effort is expended to model the crude distillation
column.
This technique of building a crude oil TBP curve from the products may also be used when the oil being pro-
cessed by the refinery is an unknown mixture of crude oils. The goal is always to maximize the use of available
data. This translates to using product rates and qualities from units downstream from the crude distillation unit.
Consider the block flow diagram shown in Figure 3.
Figure 3 Block Flow: Crude Oil Processing
There are two final products from the crude oil distillation unit: kerosene and diesel. Laboratory distillations are
routinely reported for these streams. The atmospheric gas oil is sampled and monitored. However, a full labor-
atory distillation for this stream may not be available, and a special sample may be required.
The light products of the crude distillation are produced by stabilizing and splitting the crude distillation overhead
liquid. A chromatographic breakdown for the C3's and C4's is generally available, as well as the gravity and
laboratory distillation for the light straight run and the heavy naphtha. The wet gas is not routinely sampled and
may be ignored when building a crude oil from the products. The light gases in the wet gas are primarily
products from cracking of the crude oil in the furnace. They may be estimated and added to the model later to
complete definition of the heated crude charge to the crude distillation column.
The topped crude oil has a wide boiling point range: heavy kerosene to the heaviest material in the crude oil.
Other than the gravity, few data are available for this stream. Occasionally a partial distillation is done to check
the stripping in the main column stripping zone, but these data are not routinely available.
The crude column flash zone separates the atmospheric gas oil and lighter from the topped crude
oil. Therefore, it is necessary to have some boiling point data for the topped crude oil to properly model this
column zone. If product data are not available for the vacuum column, it is possible to fabricate a topped crude
oil laboratory distillation using a technique developed by Kaes [10].
When data are available for the vacuum distillation products, these products may be used in lieu of the topped
crude oil. The vacuum column overhead stream is primarily light liquid and gases produced by cracking of the
topped crude oil in the vacuum furnace and may be ignored. The light vacuum gas oil may be analyzed using
typical laboratory methods.
The heavy vacuum gas oil has a boiling point range that extends to about 1100 degrees F (594 degrees C).
Either an ASTM D1160 or ASTM D-2887-extended simulated distillation may be used to produce a full boiling
point curve for this product. For the most accuracy in the vacuum column calculations, it is best to have a com-
plete laboratory distillation for the heavy vacuum gas oil.
Distillation data are rarely available for the vacuum column residuum, which is a heavy, tar-like mixture. The
flash zone in the vacuum column separates between the heavy vacuum gas oil and the vacuum residuum. It is
necessary to build a laboratory distillation for the vacuum residuum that includes the distributed components for
this fractionation zone if an accurate model is required for the vacuum column.
When an accurate model for the vacuum column is not needed, the vacuum residuum may be given an arbitrary
laboratory distillation ranging from 700 degrees F (371 degrees C) to 1600-2000 degrees F (871-1094 degrees
C), depending on the heaviness of the crude oil. A few points may be read from probability distillation paper to
complete the boiling point curve for the vacuum residuum.
When the synthesized crude oil is also used to model the vacuum distillation column, a trial and error procedure
developed by Kaes [11] may be used to fabricate the portion of the vacuum residuum that overlaps the heavy
gas oil. Components with boiling points higher than the heavy gas oil have no impact on the vacuum column
flash zone calculations and may be assigned arbitrarily high values.
Translation of the Physical Hardware to a Theoretical Computer Model

This step in the model building process pales in significance when compared to the proper characterization of
the crude oil. In the author's experience with technical support issues, it was usually necessary to adjust the
charge to the crude distillation column rather than the distillation column model itself to resolve poor modeling
results.
It is important to restate Nelson's second principle at this point: "the separations in crude columns are insens-
itive to the number of contact trays". For actual crude columns, contact trays are liquid/vapor contact devices
such as bubble cap trays or valve trays. For column models, contact trays are theoretical trays or liquid/vapor
contact steps in which the liquid and vapor leaving the tray are in perfect vapor/liquid equilibrium.
Conditions in crude distillation columns are hardly conducive for reaching phase equilibrium; therefore, there
will be fewer theoretical trays of fractionation than the number of actual trays. The ratio of theoretical trays to
actual trays is called tray efficiency and is less than 100 on a percent basis. Thus to build a computer model for
a crude distillation column, it is necessary to apply tray efficiency factors to translate the actual trays to the-
oretical trays.
Figure 4 Typical Crude Distillation Unit

Commercial simulator programs provide various tray efficiency models. None of these tray efficiency models
are valid for crude distillation columns, and they should not be used in the model building process. See Kaes
[12] for additional discussion of tray efficiency models. The translation of actual trays to theoretical trays should
be accomplished by the model builder, and the resultant theoretical trays supplied to the simulator.
For discussion purposes, consider the typical crude distillation column shown in Figure 4. This column has
three side products, two overhead products, and a bottom product. The side products are stripped in small strip-
ping columns to control the front portion of their boiling point curves. The only significant stripping that takes
place in the main column is in the stripping zone below the hot crude oil entry point (or flash zone).
Three pump around cooling circuits are used to help remove the latent heat from the hot flash zone vapors and
condense the side products. The heat removed is transferred to the crude charged to the unit in the preheat
exchangers to reduce the heating requirements for the furnace. The pump around circuits also degrade the
separation between side products somewhat, since they reduce the internal liquid flows between the side
products.
Figure 4 illustrates only a small portion of the contact trays in a crude column. There are typically around 40 to
50 trays in a crude column such as is illustrated in Figure 4. For purposes of discussion, the column is con-
sidered as consisting of several zones.
The main column stripping zone is between the bottom of the column and the column flash zone and usually
has 5 to 7 actual trays. Tray efficiencies are low and two theoretical trays are adequate to represent this zone.
Note that the top stripping tray receives the liquid from the flash zone.
Figure 5 Main Column Flash Zone

The main column flash zone is the next zone of the column. There are no actual trays in this zone where the hot
crude oil "flashes" or vaporizes. However, for preliminary modeling purposes it is useful to represent the flash
zone with one theoretical tray as shown in Figure 5. This permits the addition of a "trim" heat duty to the flash
zone to adjust the effective feed temperature. A performance specification may be added to correspond to this
dummy heat source. This technique lends stability to the column model.
The main column wash zone is comprised of the trays between the flash zone and the bottom side product (gas
oil). Old designs use 2 to 4 trays in this zone and newer designs use 6 to 8 trays in this zone. It is necessary to
have more liquid flow returning to the flash zone (overflash) for old designs to protect the quality of the gas
oil. The trays in this zone have very low efficiencies because of the low liquid reflux rate versus the vapor
rate. Use one theoretical tray for old designs and two theoretical trays for newer designs to represent this zone.
The pump around zones include the trays between the draw tray and the return tray. There are three pump
around arrangements illustrated in Figure 6, with scheme 1 being the most common. This scheme circulates a
cooled pump around stream up the column. The pump around stream is typically drawn from the same tray as a
liquid side product. The limit for heat transfer occurs when the liquid flowing from the tray above the pump
around return tray disappears. Crude units operate below this limit to insure that this liquid is always a positive
flow.
Figure 6 Pump around Arrangements

Note that the trays in the pump around zone are for heat transfer only. The large flow of pump around liquid cre-
ates a region of constant liquid composition that eliminates fractionation. A pump around zone may be con-
sidered equivalent to an equilibrium flash for which equilibrium liquid is re-circulated.
Scheme 2 is similar to scheme 1 except that the pump around cooling zone is placed beneath the product draw
tray. For this scheme, all liquid is removed from the draw tray above the pump around, and the pump around
liquid provides liquid for the tray below the product draw. This produces a liquid "pinch point" at the product
draw tray and maximizes heat removal from the column.
Scheme 3 uses a "pump down" scheme to remove heat from the column. This scheme cannot remove as much
heat as schemes 1 and 2 since some of the cold reflux is re-vaporized by the hot vapor entering the return tray.
It has an advantage over the other schemes in that the tray receiving the cold return still accomplishes frac-
tionation.
For all three schemes the pump around circuit is represented with two trays: a draw tray and a return tray. For
schemes 1 and 3 the draw tray also serves as the product draw tray.Sometimes both the product and the pump
around return stream circulate through the pump around exchanger as shown in Figure 7. For this arrange-
ment, the column model pump around should only include the net liquid that returns to the column and its asso-
ciated cooling duty. A true model for the pump around exchanger may be constructed by exporting a stream
from the column that includes both the net pump around and the product draw flows.
Figure 7 Net Pump around Model

The side product zones are illustrated in Figure 8. Crude distillation columns typically have 8 to 10 actual trays
between the side products. One tray is used to represent the pump around cooling tray (when present). For
the lower side products, two theoretical trays are adequate to represent the fractionation trays in a side product
zone. For the higher side products, three or four theoretical trays may be used. Figure 8 illustrates the sim-
ulation configuration for a typical crude distillation column.
Figure 8 Side Product Draw Zones

The main column top zone consists of the trays from the highest side product draw tray to the top tray. This
zone has reasonable fractionation, and an overall tray efficiency of 65 percent may be used for this section; i.e.,
12 actual trays would be represented with 12 times 0.65 = 8 theoretical trays (fractional trays are rounded to an
integer).
The steam side stripper columns have 6 to 10 actual trays, depending on the design. They may be adequately
represented with two (author's preference) or three theoretical trays.
Reboiled side stripper columns have 6 to 12 actual trays. For these columns the reboiler may be represented
as a theoretical tray with a heat source (conventional kettle) and the column trays with three or four theoretical
trays.
Figure 9 Crude Column Overhead System

The crude column overhead system is illustrated in Figure 9. There are usually at least two condensers in
series, with the first exchanging heat with the cold crude oil and the second condenser acting as a trim cooler.
Water is also circulated back to the condenser inlet to dilute the organic salt compounds in the overhead and to
reduce corrosion.
The simulation configuration is also shown in Figure 9. All simulator programs consider only one heat sink for
the condenser. Overhead pumps are also ignored since they have no effect on the distillation calculations. In
Figure 9 the water wash circuit is modeled as an open loop for simplicity, and the total water removed from the
reflux drum is split into two streams to correspond to the wash water and the net sour water stream. The wash
water is shown as an external feed to the condenser tray.
It is necessary to build a sub-model outside the column to include all of the condenser details. This may be
accomplished by exporting the top tray vapor outside the main column model and building the overhead system
using pumps, exchangers, separator drums, etc. When a detailed condenser configuration is built outside the
column model, it is recommended that the reflux drum temperature and pressure, the reflux flow, and the wash
water flow all be specified at the values used within the column model.
Cracking Adjustments for the Crude Oil Charge

In real life, some cracking of the crude oil takes place when it is heated in the furnace prior to introduction into
the main crude column. The light gases that leave the condenser reflux drum are largely comprised of cracking
products. Therefore, when the crude oil composition is based on crude assay data, the predicted light ends
flow will be considerably lower than the actual wet gas flow from the reflux drum.
While the light gases have little effect on the separations in the main column, they have a serious effect on solu-
tion of the column model overhead system. For solution of the distillation column model, there must be suf-
ficient light ends to produce a wet gas product. Therefore it is good practice to estimate the light ends from
cracking and adjust the composition of the crude oil prior to solution of the column model.
The flow of cracked gas depends on the crude oil composition and the crude furnace transfer temperature. For
paraffin based crude oil (high API gravity) at moderate furnace transfer temperatures, an estimated cracked
gas rate of 5.0 SCF/bbl crude oil (1.8 SCM/M3) is reasonable. For asphalt based crude oil (low API gravity) a
cracked gas production of 2.5 SCF/bbl crude oil (0.9 SCM/M3) is suggested.
The cracked gas may be given an arbitrary composition as follows: 50 mole % methane, 40 mole % ethane, and
10 mole % propane. These estimates are accurate enough for the simulation of existing columns. For design,
more accurate information should be procured for sizing the wet gas compressor.
Figure 10 illustrates the simulator flow for the cracking adjustment. The cracking gas composition is defined and
the rate set based on the crude flow. To maintain the material balance, a like mass of crude oil is subtracted.
Figure 10 Cracking Adjustment for the Crude Oil from the Furnace
Reality Checks for the Operating Data

Much time can be saved with a few reality checks on the operating data for the crude distillation unit. The first
check is a material balance based on the feed stock and product rates and gravities. If the material balance is in
error by more than three or four weight percent, the source of the imbalance should be located and corrected.
Normalizing the data is a poor substitute for locating the problem! Note that plant tests are usually normalized
to perfect weight balances. It is very helpful to examine the test data before any corrections were made.
The following rates are likely to be inaccurate, especially if the meter factors were not been updated for the
plant test: top reflux rate, pump around rates, and topped crude oil rate. These streams are not products and
accurate flows are not needed for the plant operations.
Stripping steam rates are sometimes missing or inaccurate. Side stripper steam flows may be estimated as 0.1
to 0.15 lb steam/gallon stripped product (12 to 18 kg/M3). It is important to have an accurate flow for the main
column bottom steam since this steam determines the required flash zone temperature. If missing, the bottom
steam may be estimated as 0.12 lb/gallon (14.4 kg/M3). Note that an estimated steam flow may require tuning
later on to match the column operating conditions.
For crude distillation columns the temperature measurement for the vapor leaving the top tray tends to be
inaccurate. Interestingly, the measured temperature is always lower than the simulated temperature when
there is a difference. One plausible explanation is that liquid entrainment in the overhead vapor causes a "wet
bulb" effect that lowers the measured temperature. It is not unusual to have a difference of 15 to 25 degrees F
(7.8 to 13.9 degrees C) between the measured and simulated overhead temperatures, with the simulated value
being highest.
The furnace transfer temperature is a reasonable check on the column flash zone temperature. The column
flash zone is usually about 5 to 7 degrees F (2.8 to 3.9 degrees C) lower than the transfer temperature because
of Joule-Thompson cooling. The bottom stream from the crude column is typically 9 to 12 degrees F (5.0 to 6.7
degrees C) lower than the flash zone because of the stripping steam.
Main column product draw temperatures may or may not be accurate, depending on the point of measurement.
It is important to remember that the simulation model draw temperature is the true bubble point for the liquid
product at the draw tray pressure. For a main column draw stream that is fed to a steam side stripper, the side
stripper bottom temperature may be used to verify the main column draw temperature. The stripped product is
cooler than the draw stream because of the steam stripping.
Typical stripper cooling is:
Kerosene strippers: 20 to 30 degrees F (11-16.7 degrees C)
Diesel strippers: 25 to 40 degrees F (13.9 to 22.2 degrees C)
Gas oil strippers: 25 to 40 degrees F (13.9 to 22.2 degrees C
Pump around data should also be checked. Since the pump around streams exchange with crude oil, the heat
transferred can be calculated for both sides of the pump around exchanger. The example below illustrates this
procedure.
Example 1 Checking Pump around data

Exchanger: Diesel pump around versus crude oil
Diesel: Rate = 40,000 bbl/day, API gravity = 36.0, Draw = 490 F, Return = 375 F
Crude: Rate = 50,000 bbl/day, API gravity = 29.0, Inlet = 275 F, Outlet = 370 F
Approximate Heat Capacities:
Diesel = 0.62 Btu/lb-deg F (2.59 kJ/kg-deg C)
Crude oil = 0.63 Btu/lb-deg F (2.64 kJ/kg-deg C)
Gravity Conversions:
Diesel = 36.0 API = 295.4 lb/bbl
Crude = 29.0 API = 308.3 lb/bbl
Procedure: Compute the exchanger duty with formula: Q = w cp delta T
Duty from diesel data = (40,000/24)(295.4)(0.62)(490-375) = 35.1 MMBTU/hr
Duty from crude data = (50,000/24)(308.3)(0.63)(370-275) = 38.4 MMBTU/hr
Conclusion: The pump around data is reasonably accurate. For the model, the diesel pump around rate is
specified as 40,000 bbl/day and the delta T as 115 deg F.
Solution techniques for the Distillation Model

Most commercial simulator programs use the inside/out (I/O) algorithm for solution of crude distillation systems.
This method is very effective and solves the side columns and pump around circuits simultaneously with the
main column. The tray pressures are supplied by the model builder and are not changed during the solution
process. Iteration variables include the tray temperatures, tray flows and compositions, tray enthalpy balances,
and tray vapor/liquid phase equilibrium relationships. The solution is based on performance specifications that
are supplied by the user and/or by program defaults.
The solution procedure is iterative in nature and starts from estimated temperature, flow, and tray composition
profiles. The procedure is robust, and most calculation failures are the result of badly chosen performance
specifications. However, the solution process may be expedited with reasonable estimates.
In particular, convergence is enhanced by good estimates for the main column temperature profile. The fol-
lowing estimates should be provided: reflux drum, column overhead, all product draws, flash zone, and column
bottom. While the I/O method is relatively insensitive to estimated flows, it is good practice to provide estimates
for the overhead reflux and all products for which the rates are not specified.
Solution Strategy for the Distillation Model

Unconverged column results yield little useful information and the strategy is always to procure a converged
solution. In the initial model building phase, there are usually several items of data for which reconciliation is
necessary. It is wise to simplify the performance specifications and use the flash zone represented in Figure 5
in which a tray with a trim heater represents the flash zone.
The following set of specifications is recommended:
> Circulation rate and delta temperature for each pump around.
> All liquid product flow rates except one.
> Condenser temperature for partial condensers.
> Overflash rate (liquid return to flash zone).
The trim heater duty at the flash zone tray should be small and the flash zone temperature should match the
plant data within a few degrees Fahrenheit. If this is not the case, there may be a problem with the topped
crude oil flow rate, overflash rate, bottom steam rate, and/or the crude oil composition. The flash zone tem-
perature for the model must be reconciled with the plant data before further tuning of the model is justified.
Fine Tuning the Distillation Model

After the major data problems have been resolved, the model may be generalized and tuned. The furnace
transfer temperature should be adjusted such that the flash zone trim heater has zero duty. This heater is no
longer needed and may be removed from the model. Optionally, the tray representing the flash zone may also
be removed from the model. After the flash zone tray is removed, the flash zone liquid portion should be fed to
the top stripping tray and the flash zone vapor portion fed to the bottom wash zone tray.
Performance specifications may be generalized as follows:
Circulation rate and delta temperature for each pump around (no change)
Condenser temperature for partial condensers (no change)
Overhead liquid specification: ASTM D86 95 % distilled temperature
All liquid products except the atmospheric gas oil: ASTM D86 95 % distilled
Specification for atmospheric gas oil/topped crude separation:
Overflash rate or
Gas oil draw temperature or
Gas oil 95 % distilled.
Pump around return temperatures should never be specified since the duty is only correct for this specification
when the simulated draw temperature exactly matches the plant. Delta temperature is preferable to insure that
the pump around duties are correct. The pump around rate may be tuned as needed to match a return tem-
perature for the model and the plant.
ASTM D86 95 % distilled specifications are preferable to TBP distillation specifications for setting the product
rates. Simulated end points are not consistently accurate and may not respond properly to changes in the
product draw rates. The TBP or simulated distillation end point is very sensitive to trace quantities of heavy
components. ASTM D86 95 % distilled points are very stable for column calculations as well as plant
operations.
The separation between the topped crude oil and the atmospheric gas oil is sloppy, and a product distillation
specification may not be as stable as the gas oil draw temperature for the model. The model has maximum sta-
bility when an overflash specification is used for the separation in this column zone.
How Well Should the Model Match the Plant?

This paper has already dealt with the importance of the crude oil composition used in the model. When match-
ing plant operations, the best measure of the accuracy of the crude oil representation is a plot of the TBP con-
structed from the product data superimposed on the crude oil TBP. Nothing in a model can compensate for
poor characterization of the crude oil charge. The comments below assume that the crude oil representation
for the model is reasonably accurate.
The flash zone temperature for the model should be no more than 3-5 degrees F (1.7 - 2.8 degrees C) different
from the actual operating temperature. The furnace transfer temperature is typically 5-8 degrees F (2.8-4.4
degrees C) higher than the flash zone and may be used for a second check. Deviations in the flash zone tem-
perature that are higher than mentioned above should be resolved early in the modeling process.
The liquid draw temperatures for the side products and pump around draws (typically the same draw tray)
should match the plant data within 5-10 degrees F (2.8-5.6 degrees C). The pump around exchangers provide
an additional check on the measured draw temperatures since the duties for the pump around streams may be
compared to the duties for the crude oil streams for the pump around exchangers. The stripped product tem-
peratures provide another check point and have been previously discussed in the section entitled "Reality
Checks for the Operating Data".
The overhead vapor temperature may or may not agree closely with the plant value. A deviation of 15-25
degrees F (8.3-13.9 degrees C) is not unusual for crude distillation models. However, it may be categorically
stated that when there is a difference in the model and measured overhead temperatures, the model tem-
perature will always be higher than the plant value. There is something wrong with a model in which the sim-
ulated overhead temperature is lower than the plant temperature. Reasons for the deviation between
simulated and actual overhead temperatures have been given in the section entitled "Reality Checks for the
Operating Data."
The simulated bottom temperature should be within 5-10 degrees F (2.8-5.6 degrees C) of the measured
value. Note that this temperature is usually 7-10 degrees F (3.9-5.6 degrees C) lower than the flash zone
temperature.
The measured overhead reflux rates for crude distillation columns are typically not very accurate. It is not
unusual to see differences of 10 - 15 percent in the simulated value versus the measured value.
For the initial model in which the product rates are specified, the draw temperatures should be within 5-10
degrees F (2.8-5.6 degrees C) of the measured values. The simulated product distillations should be in reas-
onable agreement with those measured in the plant. Note that true to Nelson's fourth principle, draw
temperatures may only be changed by adjusting the rates for the side products. The draw temperature for any
side product may be raised by decreasing the flow of the product immediately below and vice versa. Changing
the number of theoretical trays to control draw temperatures is a bad idea and will not work for crude distillation
columns.
For the diesel and lighter side products, the ASTM D86 95 LV% distilled temperature should be within 5-10
degrees F (2.8-5.6 degrees C) of the measured value. This simulated temperature point should be used in lieu
of the simulated endpoint (which can be inaccurate and insensitive to rate changes). For these products, the
ASTM D86 50 LV% distilled temperature should also be within 5-10 degrees F (2.8-5.6 degrees C) of the plant
values.
The ASTM D86 10 LV% distilled temperatures of the diesel and lighter side products are controlled by the side
stripping columns, not the main column. Simulated temperatures higher than the plant indicate more stripping
in the model than in the plant and may be corrected by reducing the stripping steam and/or reducing the number
of trays in the side stripper. Simulated temperatures that are lower than the plant may be corrected by increas-
ing the stripping steam and/or adding trays to the side stripper. Note that measurements of side stripper steam
are often either missing or inaccurate. For side strippers above the kerosene draw, the steam is often removed
completely and the stripper functions as a product surge drum.
In comparing ASTM D86 data for the plant and the model it is helpful to look at several plant measurements to
see the fluctuations that are occurring in the plant products. There are two sources of fluctuation in the plant
measurements: small changes in the plant operation and differences in the laboratory measurements. It must
be remembered that the sampling techniques can cause some differences in the lab measurements as well as
the repeatability of the ASTM D86 measurements. The ASTM D86 procedure is designed for repeatability of
temperature measurements within plus or minus 6 degrees F (3.3 degrees C).
References
1. Gary, James H. and Handwerk, Glenn E., Petroleum Refining Technology and Economics, 4th edition, Mar-
cel Dekker Inc., New York (2001), p 21.
2 . Kaes, Gerald L., Refinery Process Modeling, Athens Printing Co., Athens, GA (2000), p 16-24.
3 . Gary, James H. and Handwerk, Glenn E., Petroleum Refining Technology and Economics, 4th edition, Mar-
cel Dekker Inc., New York (2001), p 22-26.
4 . Kaes, Gerald L., Refinery Process Modeling, Athens Printing Co., Athens, GA (2000), p 16,17.
5 . Nelson, W. L., Oil and Gas Journal, p 125,126, (March 25, 1968).
6 . Kaes, Gerald L., Refinery Process Modeling, Athens Printing Co., Athens, GA (2000), p 20.
7 . Ibid, p 21,22.
8 . Ibid, p 33.
9 . Nelson, W. L., "Regulation of I.B.P. and E.P.", Oil and Gas Journal, p 143 (August 25, 1945).
10. Kaes, Gerald L., Refinery Process Modeling, Athens Printing Co., Athens, GA (2000), p 102-103.
11. Ibid, p 104,105.
12. Ibid, p 64-67.
Fundamentals of Oil Characterization - Refining

This section contains in part original materials from Kaes Enterprise, Inc. Mr . Gerry Kaes permission to use
these materials in this work gratefully acknowledged.
Crude Oil
Crude oil is a complex mixture of thousands of different hydrocarbons ranging from methane to boiling points
above 2000 F. Each crude is a mixture resulting from the products of a large number of producing wells. The
composition of crude oil varies widely with the geographic location of each well in the field. In addition, the com-
position of each well varies with time.
The major sources of crude oil are:
1. Middle East (over 80% of known reserves).
2. Latin America, specially Venezuela and Mexico.
3. Alaska.
4. North America: United States and Canada.
5. Southeast Asia.
Crude Quality Determination

The major factors controlling the quality and value of crude oil are:
1. Residual oil content.
2. Light distillates quality.
3. Impurities, specially sulfur and nitrogen compounds.
Large libraries of crude oil data are available. Usually libraries of oil assays will contain information on true boil-
ing point curves (TBP), properties of different cuts, oil API, sulfur content, viscosities, etc.
Libraries of crude processing products usually contain chromatographic analyses, D86 distillation curves,
D1160 distillation curves and gravities.
Some companies such have large libraries of crude oils available. A small sampling of providers of crude data is
shown below.
Company URL
Haverly http://www.haverly.com/crulibs.htm
SpiralSoft http://www.spiralsoft.co.uk/crudemanager/crudeselection.asp#
Baseline DGSI https://secure.baselinedgsi.com/alacarte/default.asp
Environment Canada has a useful database of 450 crude oils, available at:
http://www.etc-cte.ec.gc.ca/databases/OilProperties/Default.aspx
Problems with crude oil data

There are several issues related to the processing of crude oil data that you should keep in mind when char-
acterizing oils and proceeding into detailed simulations:
What is the mixture actually being processed?
Do the crude assays represent what is actually being processed accurately?

How can the blend of crude oils be properly represented?
How many pseudo components should be used to represent the crude?
Laboratory distillation data many times does not include full boiling point range
Typical TBP still distills only between 70 to 80% in volume of "typical" crude oil
How to extrapolate the TBP data?
What's the effect of extrapolation on calculated results?
Is there a better laboratory test than a simple TBP analysis?
How can the crude assay data be used to predict products for crude comparisons?
Correlations to relate product yields to the TBP curves.
Full simulation of refinery distillation.
Determination of yields
Given the complex nature of the feed to crude towers, and the fact that the desired products from crude towers
are distributions of hydrocarbons between certain distillation ranges, when designing or simulating crude dis-
tillation towers it is important to be able to estimate the yields of the different products based on the crude basic
properties. The property that best describes the physical makeup of crude oils is the true boiling point curve or
TBP. We will enter into the details of what distillation curves are soon. For the time being, imagine that the TBP
as a thought experiment where we run a batch distillation tower with virtually total reflux and with a very large
number of trays. We then take samples of the top distillate and its temperature. If the number of trays is large
and the reflux ratio is very large, it is reasonable to expect that the product being taken as the top distillate to rep-
resent a virtually pure compound. Thus the instantaneous temperature of the distillate represents to a good
approximation the boiling point of a virtually pure component at some pressure. To fix ideas, we will assume
that the pressure is atmospheric and that we are just distilling hydrocarbons.
In general, mixtures of chemicals can present more complex phenomena such as azeotropism. This will be
ignored when we treat the distillation of crude oils.
Therefore, if we collect the boiling points of each almost pure component (known as a cut) and the cumulative
% volume corresponding to that cut we will have a TBP curve, as shown below.
Figure 1. Sample TBP curve from VMGSim.

A useful technique is the use of the correlation of Gary and Handwerk for estimating the approximate amounts
of different oil products that can be obtained from a crude oil. The correlation is useful for distillates with D86
end points of less than 600 F. D86 is another distillation assay which is standardized by the ASTM. This assay
can be converted into a TBP using procedures defined by the API, and will be described in detail a little later.
The Gary and Handwerk correlation is presented in graphical form below.
Exercise - How to determine more valuable crude

Assume that you have two crudes defined by the TBP curves as shown below. Using the Gary and Handwerk
correlation, find out the more valuable crude. The different distillation products are defined by the boiling point
ranges shown below. The volumetric flow of each crude is assumed to be 100,000 barrels / day
Product D86 IBP, F D86 EBP, F

Straight Run Naphtha (C5+) 90 225
Reformed Naphtha 185 385
Kerosene 350 535
Diesel Fuel 440 640
Gas Oil 950 (TBP)
Residue 950 (TBP)
We can organize our calculations by noting that the product specifications in terms of initial and final D86 tem-
peratures are the same irrespective of what crude we want to process. Therefore we have the following table:
Product D86 End Point - Ini- TBP Cut - End TBP Cut
tial Point Point
Straight Run Naph- 135 -24 200
tha
Naphtha 200 -4 380
Kerosene 185 10 545

Diesel 200 30 670
We can compute the amount of butanes and lighter thanks to the light end analysis provided. For example, the
light sweet oil has 0.02 + 0.36 + 0.30 + 1.16 of butane and lighter, thus we have 1.84% of the crude with lights
or 1840 barrels/day. We can start our table comparing the different yields of these two oils as shown below.
Product Light (%) Heavy (%) Light (bar- Heavy (Bar-

rels/day) rels/day)
Lights 1.84 1.40 1840 1400
We can plot the TBP curves easily in VMGSim as shown below.
Light Sweet Crude Oil. Note that the final boiling point was estimated by VMGSim based on recommended
values from Kaes for light paraffinic oil.
Heavy Sour Crude Oil. Note that the final boiling point was estimated by VMGSim based on recommended
values from Kaes for heavy crude oils.
From the graphs above we can calculate the % of each product produced from each crude.
Product Light (%) Heavy (%) Light (bar- Heavy (Bar-

rels/day) rels/day)
Lights 1.84 1.40 1840 1400
Straight Run 11.1 - 1.84 = 6.6 - 1.4 = 5.2 9260 5200
9.26
Naphtha 31.2 -11.1 = 20.1 19.4 - 6.6 = 12.8 20100 12800
Kerosene 49.9 - 31.2 = 34.5 - 19.4 = 18700 15100
18.7 15.1
Diesel 63.0 - 49.9 = 46.4 - 34.5 = 13100 11900
13.1 11.9
Gas Oil 85.9 - 63.0 = 70.5 - 46.4 = 22900 24100
22.9 24.1
Residue 100.0 - 85.9 = 100.0 - 70.5 = 14100 29500
14.1 29.5
Determination of pseudo-components
For computer calculations of oil physical properties and simulation, the use of distribution curves as determine
by distillation curves is awkward, and therefore the information contained in distillation curves is transformed
into a discrete ensemble. This operation is usually known as cutting an oil and we will transform the continuous
distillation curve into a set of pseudo-components characterized by their boiling point and specific gravity.
In theory, it should be possible to recreate an oil from its individual chemical molecular types. Unfortunately, usu-
ally detailed chromatographic information is not available, and therefore we must characterize the oil using
pseudo or hypothetical components. As long as the physical properties of the pseudo components are known,
the thermophysical properties of the oil mixture can be calculated, as well as the necessary thermodynamic
equilibrium behavior for the calculation of separation equipment.
Historically, pseudo components are represented as components with defined normal boiling point, specific
gravity and molecular weight. The normal boiling point is estimated from the TBP assay. The component spe-
cific gravities are usually based on the pseudo component normal boiling point and bulk gravity of the crude oil.
Molecular weights are usually correlated using the normal boiling point and gravity. Sometimes, gravity curves
and molecular weight curves are also available, and can be used for the estimation of the pseudo component
gravity and/or molecular weight.
From the knowledge of normal boiling point, specific gravity and molecular weight, all necessary physical prop-
erties for the creation of thermodynamic models can be estimated. The most important physical properties
necessary for the simulation of crude distillation systems are the critical temperature, critical pressure and
acentric factor, and the ideal gas heat capacities. Vapor-liquid equilibrium can be estimated using an equation
of state such as Advanced Peng-Robinson from the knowledge of critical properties and acentric factor, as well
as the thermodynamic residuals for enthalpy, heat capacity and entropy. With the knowledge of ideal gas heat
capacities one can also calculate enthalpies, heat capacities and entropies and from this point onwards any bal-
ance of interest in the crude unit can be constructed.
Each pseudo component represents a range of real components. This range is defined by the cut points used to
divide the TBP distillation curve into pseudo components. This idea is shown below.
Pseudo components from TBP curve.
The concept of pseudo components is very useful, but you must be aware of its limitations.
1. The three parameters - normal boiling point, specific gravity and molecular weight - are not sufficient to
define the chemical structure of the pseudo component.
2. In actuality each pseudo component represents a series of actual chemicals with defined structures.
These real components behave differently in mixing and reactions. Therefore pseudo components are
not adequate to represent most of the refinery reactors.
3. In addition, because of the lack of information related to chemical structure pseudo components are not
adequate to assist in the calculation of many refinery tests such as octane numbers, pour point, cloud
point, etc.
4. The various refinery reaction processes alter the relationships of normal boiling point, gravity and molecu-
lar weight for pseudo components. All generalized correlations used in process simulators have a bias
toward unreacted pseudo components. In particular, there is a bias toward paraffins due to the large
amount of pure component data available for this class of chemicals and therefore their use in the con-
struction of generalized correlations.
Exercise - Study a Pseudo Component

A simple pseudo component was defined for the simulation of an FCC (Fluid Catalytic Fluid) gasoline:
Cut point range: 150 to 175 F
Average Normal Boiling Point: 164 F
Average API: 63.4
Average Molecular Weight: 86.4
This component in turn may represent a mixture of the following pure components present in FCC gasoline:
Component Class NBP, F API MW Octane

Number
n-Hexane paraffin 156 81.6 86.2 24.8
2,2-dimethylpentane paraffin 174.6 77.1 100.2 92.8
Methylcyclopentane naphtha 161.3 56.2 84.2 91.3
Cyclohexane naphtha 177.3 49.1 84.2 83.0
1-hexene olefin 146.3 72.2 84.2 80.0
1-m-cyclopentene olefin 158.4 48.7 82.1 >100
4-m-cyclopentene olefin 167.4 48.8 82.1 >100
Benzene aromatic 176.2 28.4 78.1 100
The wide range of octane numbers should be a good hint that no reliable octane number correlation can be cre-
ated using pseudo component information alone. The reason is simple - octane numbers depend on the chem-
ical structure and the pseudo component characterization factors do not carry enough information.
Magic Numbers
In this section we list a few definitions and typical numbers used in oil refining.
API Gravity
API gravity is defined as:
API = 141.5/ SG[60/60F] - 131.5
Examples:
Refinery Stream API

Vacuum Tar -5.0
Water 10.0
Crude Tower Bottoms 15-20
Gas Oil 20-30
Diesel 30-35
Kerosene 40-45
Reformed Naphtha 50-55
Blended Gasoline 58-62
Light Gasoline 80
Important Notes:
1. API gravity can not be blended linearly
2. API gravity is always supposed to be corrected at 60 F basis by the laboratory
3. For most streams the API is determined using a hygrometer.
Watson-Murphy "K" or UOP "K" Factor

This characterization factor captures in a limited sense the chemical makeup of hydrocarbon mixtures. The Wat-
son K factor is defined as:
K = [ NBP, R] ^ (1/3) /SG[60/60F]
Several thermophysical properties of petroleum hydrocarbons have been correlated against this parameter,
such as enthalpies, molecular weights, viscosities, heat capacities and thermal conductivities.
The factor normally ranges between 10.0 and 14.0, where 10.0 is an aromatic hydrocarbon and 14.0 a par-
affinic hydrocarbon. Sometimes it is assumed to be a constant for all pseudo components when developing a
gravity curve for a crude. Some typical examples of Watson K values are shown below.
Refinery Stream K factor

Coker Gasoil 10.5
Kansan crude oil 11.6
FCC gasoline 11.7
alkylate gasoline 14.0
Petroleum heat capacities

Vapors: 0.5 to 0.6 BTU / lb.F
Liquids: 0.6 BTU/lb.F (350 F)
0.7 BTU/lb.F (600 F)
For comparison, a typical value for the water heat capacity is 1.0 BTU/lb.F
Decomposition of Petroleum Oils

Most petroleum oils begin to crack (decompose) when heated to about 650 F at atmospheric pressure. Paraffin
based oils crack more readily than aromatic based oils. Products of decomposition include:
1. Light gases (side chain removal)

2. Tar-Like material (condensation and polymerization)
3. Coke (elemental carbon) deposits
Decomposition or cracking has a direct impact on laboratory tests and unit operating conditions. Sometimes
steam is added to the petroleum stream when heating to suppress the coking. Vacuum conditions may also be
used to distill petroleum while minimizing thermal decomposition.
Equilibrium K-Values
Most petroleum hydrocarbons at the normal refinery operating conditions interact as if they form an ideal solu-
tion, and relative volatilities are not significantly affected by pressure.
Water / Hydrocarbon Separations

Most processes are designed such that free water does not exist on column trays, but rather exits the column
with the overhead vapor. The water is then separated by cooling and decantation at the condenser. Usually the
amount of hydrocarbon dissolved in the water phase is small and not important. The hydrocarbon phase will
contain a small amount of dissolved water. The vapor leaving the condenser drum will be saturated with water.
Calculation Units
The preferred English dimensions for refineries are shown below
1. Degrees F, Psig, MMBTU/h (millions of BTU per hour), API
2. Barrels / day (60 F basis)
3. lb/h
4. MSCFH (thousands of standard cubic foot per hour) for vapor flows
5. USGPM (United States Gallons per Minute) for pumps
6. ACFM (Actual Cubic Foot per Minute) for compressor feeds
Laboratory Tests
In order to properly characterize an oil we rely on lab tests to generate the necessary information used to create
the pseudo components actually used in the calculations.
Light Ends Analysis

Usually the analysis of light hydrocarbons is done by chromatography. Gas streams are reported as mole per-
cents, liquid streams are usually reported in a LV (liquid volume) % basis. Typical analysis gives all components
lighter than n-pentane. These samples must be taken in a bomb to avoid loss of the lighter components.
C4's and C5's are major contributors to the vapor pressure of gasoline. Therefore a light ends analysis is imper-
ative if the RVP of the gasoline is to be accurate. Lab distillations cannot accurately measure the C4 and C5 con-
tent of gasoline.
Normal boiling points of typical light ends are summarized below.
Component Normal Boiling Point (F)

Propene -54
Propane -44
isobutane 11
1-butene 21
n-butane 31
isopentane 82
1-pentene 86
n-pentane 97
TBP (True Boiling Point) Distillation

The TBP distillation test is not standardized. Many stills are designed for 15 theoretical trays and a reflux of 5:1.
The distillation is started at atmospheric pressure and the pressure is reduced at the content of the still gets
heavier. The lowest pressure is about 40 mm Hg. The maximum temperature achievable is about 650 F at 40
mm Hg which corresponds to about 850 to 800 F at 760 mm Hg. Temperatures are corrected to 760 mm Hg for
reporting.
This test is lengthy and expensive, and most refiners only used this test for crude oils. About 20 to 30% of the
crude oil cannot be distilled with this method and remains in the still.
The distilled products are drawn off in normal boiling point ranges corresponding to typical crude column
products and many tests are run on these distilled products. Fractionation between the TBP still products is
sharper than those attained in a crude column, where there are not as many theoretical trays between
products.
The TBP data must usually be extrapolated to model the separation between crude tower residue and gas oil.
One method is to use probability distillation paper to extrapolate from the last laboratory points to a predefined
end point for the crude oil. Suggested values for crude end points are 1600 F for a light crude and 2000 F for a
heavy, asphaltic crude oil.
Another method which has been used to extend the crude TBP data is to vacuum distillate the still residue in a
D1160 apparatus which can easily reach a vacuum of 10 mm Hg. This pressure allows the atmospheric TBP to
be extended to about 1000 to 1100 F, depending on the crude oil.
Arithmetic probability paper may be used if distillation probability paper is not available. Temperature is plotted
on the linear scale, percent distilled on the probability scale. Use 0.1 and 99.9% for initial boiling point (IBP or
IP) and final boiling point (FBP or EP) respectively.
There's some theoretical justification for the probability extrapolation since natural hydrocarbon mixtures tend
to separate on a probability curve according to their normal boiling points.
A sample of probability paper is included below.

The D86 distillation is the most common laboratory distillation and is used for control and specifications. It was
designed to be fast to perform, inexpensive, reasonably reproducible (+/- 6 F) and applicable for light gasolines
through light gas oils.
Initial Point Temperature corresponding to first con-

densed drop of liquid.
End Point Highest temperature recorded
Residue Liquid remaining in flask
Recovery Amount of liquid recovered in cylinder

Loss Total Sample - Residue - Recovery
D86 distillations are to be reported at 760 mm Hg. The pressure correction at an altitude of about 5000 ft is
approximately 15 to 20 F
The D86 temperatures can be corrected for cracking using the following API correlation:
Log (Delta) = 1.587 + 0.00473 * Temp
Where: Delta = Correction to add to observed D86 temperature
Temp = Observed D86 temperature, Deg F
It is recommended that you do not use this correlation. The preferred method to correct for cracking is to use
probability distillation paper.
Check list for D86 to TBP conversion
1. Missing data should be estimated
2. Estimate cracking correction (usually not applicable for temperatures below 650 F or 344 C.
3. Estimate 100% point if not provided
4. Make sure data is at 760 mm Hg
Edmister and Okamoto

The Edmister and Okamoto correlation works by correlating the 50% distilled value of the TBP curve with the
50% distilled value of the D86 curve. The second part of the correlation is determined by a series of curves relat-
ing the D86 temperature slopes with TBP slopes for segments of the distillation curve from 0-10, 10-30, 30-50,
50-70, 70-90 and 90-100% distilled. Note that the only points that can be converted are the 0, 10, 30, 50, 70, 90
and 100% distilled. All the other points have to be obtained using interpolation. The correlation is summarized in
a graphical format in the figure below.
Penn State Conversion method (1988 or 1992)

The basis of the conversion method is a correlation between TBP and D86 curves done by Penn State and pub-
lished in the API handbook in the 1988 and 1992 versions. The correlation is based on the following rela-
tionship:
TBP = a (D86) ^ b
Where a and b are supplied for IBP (initial boiling point or 0%), 10, 30, 50, 70, 90 and 95%
The standard deviations of the fits are +/- 16 F for the initial boiling point and +/- 12 F for the 95% point.
The 1988 Penn State method does not give good results and should not be used.
Penn State Conversion method (1994)

The 1988 Penn State curves were revised and republished. The approach was modified by Daubert in 1994 to
correlate D86 temperature differences against TBP temperature differences.

Similar to D86 except performed under vacuum, usually at 10 mm Hg. The D110 distillation is used for control
and specifications. It was designed to be fast to perform, inexpensive, reasonably reproducible and applicable
to heavy gas oils.
The D1160 distillation has a series of advantages:
1. Because of vacuum, it better approximates a TBP distillation
2. Can distill heavier materials than a TBP
3. Much simpler to run than TBP

4. Best test for refinery vacuum unit calculations
Usually the Edmister method is used to convert D1160 into TBP data, and it is the default method in VMGSim.
D1160's are reported at 760 mm Hg.
SIMDIST (Simulated Distillation)

A SIMDIST is not a distillation but rather a chromatographic analysis of a petroleum stream using carbon disulf-
ide (CS2) as the carrier agent. The resultant chromatogram is compared to a standard sample of n-paraffins of
known normal boiling points and elutriate times to calculate a boiling point curve from the chromatogram. There
are four SIMDIST procedures for different boiling point ranges. Note that all procedures derive the boiling data
by using standard mixtures of n-paraffins.
Procedure Application Standard Range Notes

D3710 gasolines and C5-C15 < 500 F Report in
naphthas Volume %
D2887 cycle oils, gas C5-C44 < 1015 F Report in Mass
oils %
D2887-ext heavy gas oil, C5-C60 < 1140 F Report in Mass
crude %
HT750 heavy gas oil, C5-C120 < 1382 F Report in Mass
crude %
Advantages
1. Reproducible
2. Safer and easier to run than D1160
3. Smaller bias than D86, D1160 and TBP due to experimental technique
Disadvantages
1. Does not correspond to a true TBP curve
2. No reliable method for conversion to TBP curve
3. Paraffin bias translates in poor and inaccurate results for streams with significant aromatic content
ASTM D2887 Method

The D2887 method can be used for boiling points up to approximately 1000 F or 538 C. The initial boiling point
has to be above 100 F or 55 C. The D2887 method can be used for control tests and it is reported in a mass
basis. Assumed molecular weights against normal boiling points are used to convert chromatographic results
into temperatures. The D2887 method has the advantage of providing reproducible results thanks to the use of
chromatographic techniques. In addition, the D2887 method is simpler to execute than D1160 or TBP dis-
tillations. Naturally, the D2887 method has the same general disadvantages discussed above, such as not
being a TBP distillation and difficult to relate to the true TBP for calculation purposes. Also, D2887 experiments
can not measure very heavy materials.
Useful reference: "Chromatograph gives Boiling Point", Hydrocarbon Processing, May 1976.
There are two D2887 to TBP conversion methods available.
1988 Penn State Method
This method is not recommended since it uses the Penn State 1988 D87 conversion method.
1994 Penn State Correlation

The Penn State method allows a direct conversion of D2887 into TBP, based on a temperature difference
approach similar to Edmister and Okamoto's method. The method has an increased range of application when
compared to the 1988 method. Be careful, this method is relatively unproven.
It is important to keep in mind that it may be necessary to adjust the TBP obtained from D2887 data to match
plant performance.
Understanding the Determination of Pseudo Component Normal Boil-

ing Points
When you provide a distillation curve, the most fundamental step is the transformation of the distillation curve
into pseudo components characterized by a normal boiling point and concentration. Since distillation curves
can, in principle, be entered in mass, mole or volume basis, when slicing a distillation curve we may be left with
pseudo components that have a defined temperature and concentration in mass, mole or volume.
Imagine that we have a distillation curve as shown below:
We start the slicing procedure by identifying the initial boiling point, in this case 438.2 F. If light ends were
provided the distillation curve would have been renormalized without the light ends. We now need to define a
step in composition or temperature to start defining pseudo component compositions. It is recommended to
take temperature steps using the ranges recommended by Kaes. Recall that the composition is defined by the
basis you used to define your distillation curve.
In the range between 100 to 800 F the recommended slice width is 25 F. Therefore our first pseudo component
will be defined by a boiling point range starting at 438.2 F and ending at 438.2 + 25 = 463.2 F. This is rep-
resented in the figure below.
Now that we know the volume fraction of pseudo component 1, we now have to determine the average boiling
point of the same pseudo component. This is easily accomplished using the mean value theorem from ele-
mentary Calculus:
The procedure is repeated until the entire distillation curve is discretized into pseudo components. Note that if a
curve is entered in mass or mole basis, it will be discretized using mass or molar concentration units.
Simulating an Atmospheric Crude Tower

We start this section by opening the case created in the section VMGSim Oil Characterization Example.
Connect the Crude Feed material stream to a two-phase separator, and rename the separator to Pre-Flash as
shown below.
Now create a heater as shown below and name it Crude Furnace. Specify a pressure drop of 10 psia and an
outlet temperature equal to 650 F.
Now connect the bottoms of the Pre-Flash tank to the In port of Crude Furnace using a material connector.
Note that you could have used a material stream as well.
Note that the Crude Furnace unit operation is already solved. Now add a mixer and using material connectors
connect the top of the Pre-Flash and the Out port of Crude Furnace to the In0 and In1 In material ports of the
mixer. Note that the mixer will automatically calculate.
Finally connect a material stream to the Out port of mixer M1 and call it Crude Feed 1.
In this simulation we will use live steam as the main source of energy to the tower. Three live steam feeds will be
used, one for the bottoms and two for the diesel and atmospheric gas oil (AGO) side strippers. Please specify
the steam feeds as shown below.
In this example we will use the Detailed Tower palette in the PFD view. The Detailed Tower palette shows the
exact configuration of the distillation tower in the PFD view.
In this section we will assume that you have installed Microsoft Vision 2003. Detailed towers are not available if
you are using VMGSim with Visio 2002.
Choose a refluxed absorber tower.
Note that a tower with 2 stages is created. Double click on the tower icon to bring up the tower view.
Click on the Add/Remove Stages button.
Type 28 in the Add / Remove field and press Add. This will create a refluxed absorber with 29 theoretical trays
and a condenser. Check out the PFD and you will see the new tower configuration.
Now let’s add three pumparounds to the tower. Click on the Pump Around node
Now click on the <New> cell. The following dialog will appear.
Set the draw stage to be 3 and the return stage to be 2. Click OK.
Repeat the procedure to add the following pump arounds:
Note that the PFD representation of the tower now reflects the presence of 3 pump arounds as shown below.
Now we will add the necessary side strippers. Click on the Side Stripper node.
Click on the <New> cell. A browse button will appear. Click it.
Define the kerosene side stripper as shown below.
Click OK
Now define the Diesel and AGO side strippers as shown below. Note that these two side strippers use steam
as the heating medium.
Note that the side strippers are properly placed in the VMGSim Visio PFD as shown below.
Let’s now specify the main feed to the tower. Click on the <New> cell in the Feed node. The browse button will
appear. Click on it.
The following dialog will appear:
Add a feed to stage 29.

Now click on the Feed / Connected Obj cell, and choose the Crude Feed material stream to be the feed on
stage 29.
Repeat the same procedure to attach the Crude Steam material stream to be the feed on stage 30. You can
see that the information already calculated by these two material streams is propagated to the tower. Just click
on the details node as shown below.
Let’s now attach the steam feeds to the side strippers. Click on the Side Strippers node.
Click on the Strip_1 / Energy/Steam cell. Type KeroReboiler-q. An energy stream will be automatically created.
Now click on the cell Strip_2 / Energy/Steam.
Select the DieselSS-Steam material stream to me connected to the Strip_2 side stripper.
Repeat the procedure for Strip_3
Now that we are finished connecting all feeds to the tower we can proceed by creating all the material streams
leaving the tower. Note that this is really not necessary because when we solve the tower all information will be
available in the Out ports.
Go to the draw section and click on the cell CondenserL / ConnectedObj. Type Naphtha.
A material stream named Naphtha will be automatically created for you.

Now click on the cell CondenserV / ConnectedObj. Type Vent Gas.
Now click on the cell bottomL / ConnectedObj. Type Residue.
We need to define a water draw for the condenser decanter. Click on the <New> cell and press the browse but-
ton. Create a water draw as specified below.
Click OK.
Click on the draw / ConnectedObj cell. Type CondenserWater.
Now let’s connect the Out ports from the side strippers to material streams. Click on the Product node in the
Side Stripper section as shown below.
Click on the Strip_1 / Connected Obj cell and type Kerosene.

Click on the Strip_2 / Connected Obj cell and type Diesel.
Click on the Strip_3 / Connected Obj cell and type GasOil.
Let’s now add the energy streams connected to the condenser and pump arounds. This tower has a duty trim
on stage 29 and therefore an energy stream will have to be installed on that tray.
Click on the cell condenserQ / Connected Obj in the Energy section and type Condenser-Q as shown below.
Now click on the <New> cell and press the browse button.
Type in the specifications for the duty trim as shown below.
Now click on the Energy Name node in the Pump Around section as shown below.
Click on the pump_around / Connected Obj cell and type PA1-Q.

Inspect the PFD. You will notice that the entire tower system connections are specified.
We can now proceed by defining the pressure profiles and specifications desired to model the tower.
Click on the Spec/Estimates tab and locate the Pressure for draw stages section. Specify the pressure profile
using the following specifications:
Condenser = 19.7 psia
Top Tray = 28.7 psia
Bottom Tray = 32.7 psia
Let’s specify the tower flows. Click on the Configuration tab and go to the Draw section. Click on the Details
node.
Click on the CondenserL / StdLiqVolumeFlow cell. Type 2.3e4 barrel/day.
Click on the CondenserV / MoleFlow cell. Type 0.
Now go to the Side Stripper section. Click on the Product node and then the Details node.
Click on the Strip_1 / StdLiqVolumeFlow cell. Type 9300 barrel / day.
Click on the Strip_2 / StdLiqVolumeFlow cell. Type 1.925e4 barrel / day.
Click on the Strip_3 / StdLiqVolumeFlow cell. Type 4500 barrel / day.
Now we will specify the pump arounds. Click on the Pump Around section.
Click on the Draw Stage node and then click on the Details node.
Specify the return rates of the pump arounds to be 5e4, 3e4 and 3e4 barrels/day as shown below.
Now specify the duties for the pump around coolers as 5.5e7, 3.5e7 and 3.5e7 BTU/h as shown below.
We can now specify the Kerosene side stripper reboiler duty. Go to the Side Stripper section and click on the
Strip_1 / Energy Value cell. Type
7.5e6 BTU/h.
The last specification we would like to have is the overflash above the feed tray. Overflash is defined as the
liquid that returns to the flash zone of a crude tower.
Go to the Internal Vap / Liq section and click the <New> cell. Click on the browse button.
Specify the overflash as shown below.
Click OK.
Now click on the Details node. Go to the Overflash / StdLiqVolumeFlow cell and type 3500 barrel/day.
Notice that the number of degrees of freedom in the tower is now zero.
Click now on the Spec/Estimates tab.
Note that
Go to the Estimates section.

Click on the <New> cell.
Create a new temperature estimate for the Condenser.
Repeat the procedure for tray 2 and the bottoms tray. You will have the following table:
Now go to the Value column and set the estimated temperature profile to be 100, 250 and 600 F.
Now click on the Convergence tab.

Set the Water Damping Factor to 0.3.
Press the solve button as shown below.
The convergence monitor will be activated and you will be able to monitor the convergence pattern.
Now click on the Profiles tab to examine the temperature profile, vapor and liquid traffics and pressure profile.
You can also plot different profiles. Press the Plot... button.
The plot dialog will pop up as shown below.
Modify the second axis as shown below.
Press the Plot button.
Now inspect the PFD. You will notice that all connected material and energy streams connected to the tower
are now calculated.
It is instructive to compare the results from VMGSim against the results from another process simulator.
Temperatures (F)
Stream VMGSim Other Simulator
Crude Feed 1 619.1 623.6
Condenser Water 96.1 106.7
Naphtha 96.1 106.7
Kerosene 458.6 456.5
Diesel 489.2 486.1
GasOil 567.7 571.0
Residue 671.7 670.2
Flows (lbmol/h)
Crude Feed 1 5990.4 6231.0
Condenser Water 725.8 700.6
Naphtha 2674.1 2769.0
Kerosene 677.9 721.9
Diesel 1092.1 1139
GasOil 194.8 202.2
Residue 1375.1 1420.0
Duties (BTU/h)
Crude Furnace 1.668E+08 1.748E+08
Q-Trim 7.673E+07 7.092E+07
Condenser-Q 1.123E+08 1.089E+08
This example can be found in the Examples folder, file Flowsheeting Examples\Atmospheric Crude Tower-
.vmp
Tutorials
Refinery Process Modeling Sample Problem One
Modeling a Crude/Vacuum System with Preheat Train
This tutorial describes the development of a crude stabilizer and vacuum tower system including heat integ-
ration with a preheat train. The model produced by this tutorial can be seen in the case Manual-Tutorial 1.vmp
The oil characterization must be completed in order for the crude feed to be defined in the main flowsheet envir-
onment. In this example, the crude will be defined as a combination of several pure light end components and
generated pseudo components. Select the Advanced Peng-Robinson property package and add the light ends
from the Pure Compound Search tab, as shown below. Once the pure components are entered, click the
“Apply” button to accept the components and enable access to the oil environment form. Set the unit set to
“Refinery”.
Click the “Oil” button to access the oil environment. Create a new oil named “Oil”. Within Oil, create a new
assay named “Crude Assay”.
Select the “Distillation Curve” tab and enter the information given in the following figure. Note the basis for this
curve should be “Mass %” (mass percent) and “Light Paraffinic Crude” should be selected as the Estimate end
T to give a 100% mass boiling point temperature value. If this 100% mass value is left blank then extrapolation
using the “Curve” or “Probability” option found in the “Parameter / Light Ends” tab will be used instead.
A close-up of the mass % data:
Only the light ends now need to be specified in order to create the oil assay. However, other data such as a
liquid density curve and bulk liquid density value can be used to improve accuracy. Go into the Liquid Transport
Properties tab and select Liq Density. Enter the liquid density curve information shown below.
Click the “Light Ends” tab and enter the bulk liquid density and light ends compositions in mass percent as
shown below. The curve profile will automatically be altered to account for this additional data.
We will also add sulfur to the content curves. Click on the “Content Curves” tab then under “Content Curves”,
add a Sulfur Content curve. Make sure the Basis is “Mass %” and enter in the following sulfur information:
The oil assay can be cut and installed (click “Cut” button, then “Install Oil” button) once this has been completed.
Click on the “Pseudo Comp” and “Report” tabs to check if reasonable pseudo-components have been created.
Click the Close button to exit the oil environment.
Add water, nitrogen, methane, n-undecane, and n-dodecane to the list of components after exiting the oil envir-
onment. Remember to hit “Apply” and “OK” before entering the simulation flow sheet environment.
Preheat Train
Enter the simulation flow sheet and create a material stream called Crude Feed (the feed coming from the
crude storage). This stream will be specified from the oil assay and have properties shown below. The volu-
metric flow is 85000 bbl/day. In order to specify composition from an oil assay created in the oil environment
select “<Browse…>” from the drop down menu in the “Connected to [In/Out]” cell. The assay, in this case
“Crude_Assay”, can then be selected from the new form that appears, as shown below. Click the “OK” button
to accept.
This feed stream must be passed through a pump to increase pressure to allow for flow through the initial heat
integration section to the desalting unit. Add a pump, P-101 and enter an efficiency of 80 % and an outlet pres-
sure of 214.70 psia as shown below. Notice the slight temperature increase across the pump due to an effi-
ciency of less than 100%.
The preheating train leading to the desalting unit can now be created. To do so, add a heater (E-1A_B), fol-
lowed by a splitter (SP1), two exchangers (E-3 and E-4), a mixer (M1) and two heaters (E-5 and E-6), as
shown in the figure below.
The unit operations should have the following specifications.
E-1A_B - DeltaP = 18.25 psi

Out.T = 130 °F
E-3 - Tube DP = 18.25 psi

Shell DP = 18.25 psi
OutTube.T = 170 °F
OutShell.T = 250 °F
E-4Tube DP = 18.25 psiShell DP = 18.25 psi

OutTube.T = 195 °F
E-5 - Check the recycle port check box for the “In” port.
In.T = ~ 183 °F
In.StdLiqVolumeFlow = ~ 85000 bbl/day
In.MoleFraction = ~ “Copy/Paste from Crude_Feed stream”
DeltaP = 18.25 psi
Out.T = 235 °F
E-6 - DeltaP = 18.25 psi

Out.T = 293 °F
The exchangers E-3 and E-4 will not be solved at this point since the flow split is not known for SP1. Eventually
the conditions of the material stream exchanging heat with E-3 will be used to back calculate the flow split
(adding both outlet temperatures in unit E-3 will cause the flow rate of the cold crude feed to be calculated).
The flow rate, temperature and composition at the inlet of heater E-5 will be estimated in order to solve the
crude tower initially.
NOTE: The use of a heater as opposed to an actual heat exchanger is determined based on whether heat
integration is being done directly inside the tower environment. If the condenser and pump arounds are
modeled as separate unit operations outside the tower, then heat exchangers can be used for all heat integ-
ration.
The port at the exit of the last heater (E-6) should be fully defined port. At this point a crude desalting unit can
be added. For this step a water stream is required to fully saturate the crude with water prior to desalination.
Add a material stream with 100% water composition and a flow rate of 5000 bbl/day, as shown in the figure
below.
Add a mixer (M2), a three phase separator (DS-001) and a heat exchanger (E-7). The water stream is pre-
heated using the resulting brine solution (consisting of water and salts absorbed from the crude feed stream),
that exits the separator unit DS-001. Connect the preheated water and the crude exiting heater E-6 to M2. The
resulting saturated crude then enters the separator DS-001. The desalinated crude is then sent to a pump (P-
113) to increase the stream pressure for the second half of the preheat train while the brine solution passes
through exchanger E-7. The completed portion of the PFD should look similar to the image given below.
The following specifications can be entered to in order for the crude feed to be fully defined for the subsequent
preheat section.
E-7 - Tube DP = 2 psi

Shell DP = 2 psi
OutTube.T = 256 °F
P-113 - Efficiency = 80%

Out.P = 214.7 psia
The last five heat exchange units (E-8A_B, E-9, E-10A_B, E-11, E-12) and the tower furnace (H1) must be
added to finish the preheat train for the crude feed, as shown in the following figure. Once again, heaters were
used instead of heat exchangers because the energy exchanged was going directly into a tower configuration.
The specifications for the heaters are given below.
E-8A_B -DeltaP = 18.25 psi
Out.T = 342 °F
E-9 -DeltaP = 18.25 psi

Out.T = 362 °F
E-10A_B -DeltaP = 18.25 psi

Out.T = 432 °F
E-11 -DeltaP = 18.25 psi

Out.T = 451 °F
E-12 - DeltaP = 18.25 psi

Out.T = 475 °F
H1 - DeltaP = 78.75 psi

Out.T = 650 °F
One additional step is required in order to represent the reactions that typically occur in a Cracking unit and
modify the resulting tower feed stream appropriately. For this step, a stream containing light ends is mixed into
the feed stream at a set ratio. A splitting unit is also added to remove an equivalent amount of material from the
feed stream as is introduced by the mixer. The portion of the PFD shown in the following two figures shows the
set up of the extra units that need to be created and their specifications. Please note that specifications are only
made within the 4 Set operations (SetMB, SetT, SetP, SetFlow) and the Cracking material stream com-
position.
Cracking.In.MoleFraction: - Methane = 50%

Ethane = 40%
Propane = 6%
n-Butane = 4%
Crude Tower
Any tower icon in VMGSim can be used to create the crude tower. However, a refluxed absorber was chosen
for this example, as its initial configuration is most similar to that of an actual crude tower. Once a Refluxed
Absorber is added to the flowsheet, open the form and click on the Configuration tab to add the following phys-
ical configuration details.
T-101:Add 25 stages below stage 1.

Add energy into stage 25 as the trim heat for an easier initial convergence.
Add a second feed stream at stage 25 for the crude feed.
Add 3 pump arounds, with details given in the image below.
Add 3 side strippers, with details given in the image below.
Add a liquid draw on stage 9 to represent a side stripper without steam flow.
Add an internal liquid on stage 24 to allow overflash liquid flow specification.
Add a water draw on the condenser stage.
Material streams can now be attached to the tower. Attach the crude feed stream from M3 to stage 25. This
connection can be made directly with a material connector. Material connectors can also be used to attach the
Kerosene and Diesel product streams (product from the first and second side stripper, respectively) to
exchangers E-3 and E-4, respectively. The outlet of the product side of these exchangers should have a
stream attached to them, as these are points of interest in the simulation. The Heavy Naphtha (Stage 9) and
Gas Oil (product from the third side stripper) streams do not integrate back into the flowsheet so material
streams can now be added to these points, as well as shown in the following PFD.
Note: Material streams should be used for points of interest in a simulation case as this will allow them to be
shown in material stream summaries. These summaries can be viewed in tables, print outs, or on the PFD
itself.
Add four steam material streams for the 3 side strippers and the main crude tower. These will consist of 100%
water composition and the conditions given in the following forms.
The tower needs to be specified once the physical configuration has been completed. Some of these spe-
cifications will come from the energy integrated with the preheat train. Connect heater E-5’s energy to the top
pump around and heater E-6’s energy to the middle pump around using energy connectors. For the lower
pump around include both E-9 and E-11 in the heat integration. In order to do this, add a Balance operation.
Select “Energy” as the Balance Type. For Energy In, select the energy from the bottom pump around and for
Energy Out select the energy from both E-9 and E-11. A figure showing the Balance operation follows the PFD
given below.
Three out of 13 specifications for the tower are met with energy integration to the pump arounds. The remain-
ing tower specifications can now be entered. Click on the “Spec/Estimates” tab and enter the pressure spe-
cifications as follows. For the crude tower, enter the following pressures for stages 1, 2 and 25. The pressure
will be linearly interpolated between stages 2 and 25 and held constant below stage 25. The pressure dif-
ference specified between stages 1 and 2 can be seen as the change in pressure between the condenser and
the top tray.
Stage 1 pressure = 18.7 psia
The following is a list of the remaining specifications for the crude tower.
T-101 Specification:
Condenser Temperature = 102 °F
Heavy Naphtha product flow = 10,200 bbl/day
Kerosene product flow = 13,400 bbl/day
Diesel product flow = 11,500 bbl/day
Gas oil product flow = 4,700 bbl/day
Overflash liquid = 3,500 bbl/day
Top pump around rate = 50,000 bbl/day
Middle pump around rate = 40,000 bbl/day

Bottom pump around rate = 20,000 bbl/day
Topped crude flow (bottom product) = 37,000 bbl/day
The last step to solving this tower is to add some estimates for initialization. In the Estimates section of the
Spec/Estimates tab, enter the following values,
Stage 2 temperature = 200 °F

Once all of the specifications and estimates have been entered the crude tower form should look similar to the
image shown below.
Press the “Solve” button and the tower will begin solving. Once converged, the tower will provide information
that allows exchangers E-3 and E-4 to solve. This will initiate the recycle of the flowsheet using estimates set in
E-5 and the tower will restart multiple times. The overall recycle will continue until the overall error in the flow-
sheet goes below a set tolerance. Once this is complete, the stabilizer can be developed.
Stabilizer
Add a distillation column (T-106) to the flowsheet as it is has the most similar initial configuration to that of a
stabilizer. Open the tower form and click the Configuration tab to adjust the physical configuration of the
column. Add 18 stages below stage 1. Add a water draw on the condenser stage. Change the feed stream
(the top liquid product from the crude tower) to enter at stage 11.
Prior to entering the stabilizer as the feed stream, the top liquid product from the crude tower passes through a
pump (P-104) operating at 80% efficiency with an outlet pressure of 114.7 psia. The stabilizer feed then passes
through a heat exchanger (E-14) where it is preheated using the bottom product from the stabilizer. The
exchanger has a tube DP of 18.25 psi, a shell DP of 18.25 psi and and Out.Tube temperature of 175 °F. These
specifications should allow the exchanger to solve the tube side, with the tube side solved, the feed stream
should be fully defined. Material connectors can be used to join many of these units, as shown in the following
PFD.
Note: In instances where no material or energy is input/output to/from a tower section there might be sections
that are removed from the image. In these cases a broken line in the tower will be shown and the immediate
stage numbers above and below for reference.
The following specifications can be entered under the “Spec/Estimates” tab in the stabilizer form. Note that
estimates and convergence parameters are also given.
T-106 Specifications:
1. Condenser Temperature = 100 °F
2. Condenser reflux ratio = 3.0
3. Condenser vapor product rate = 0.0 bbl/day

Estimates:Stage 2 Temperature = 130 °F

Stage 21 Temperature = 270 °F
Parameters:DampingFactor = 0.8
WaterDamping = 0.4
Once these values are entered the “Spec/Estimates” tab should appear similar to the form shown in the image
below. Press the “Solve” button for the stabilizer unit to converge. The preheat unit E-14 will also solve at this
point.
Vacuum Tower
The vacuum tower is the last tower to be created in this tutorial. Add an absorber unit (T-107) to the flow sheet,
as it is most similar to the configuration of a vacuum unit. Open the form and make the following configuration
changes in the “Configuration” tab.
T-107:Add 6 stages below stage 1.

Delete the top feed stream entering the tower.
Change the bottom feed stream to enter at stage 7.
Add energy into stage 7, this will be the trim heat which will allow for easier initial convergence.
Add a second feed stream into stage 8, this will act as a gas leak stream.
Add 3 pump arounds with details given in the figure shown below.
Add a liquid draw on stage 2 for the LVGO product.
Add a liquid draw on stage 4 for the HVGO product.
Add a liquid draw on stage 6 for the Slop Wax that is recycled back into the feed.
Add an internal liquid on stage 2 to allow for an internal liquid flow specification.
The tower configuration should now be similar to the figure shown below.
The main feed entering the vacuum tower is the topped crude coming from the bottom of the crude tower.
Before this feed is introduced to the vacuum tower it is passed through a pump and mixed with the Slop Wax
being removed from the lower half of the vacuum tower. This material will then be passed into a preheat
furnace.
Add two pumps (P-109 and P-117) and attach the bottom product from the crude tower to P-109. Attach the
draw from stage 6 (Slop Wax) of the vacuum tower to P-117. Add a mixer (M4) and attach both the topped
crude and the slop wax to the mixer. Add a heater (H1) that will act as the preheat furnace. Attach the mixed
crude and slop wax to the preheat furnace. The resulting PFD should be similar to the portion shown in the fol-
lowing figure.
Enter the following values into each of the respective unit operations to fully define the feed stream entering the
preheat furnace.
P-109 - Efficiency = 80%

Out.P = 50.7 psia
P-117 - Check the recycle port check box for the “In” port.
Efficiency = 80%
Out.P = 50.7 psia
In.P = ~ 0.4 psia
In.T = ~ 695.0 °F
In.StdLiqVolumeFlow = ~ 1100 bbl/day
In.MoleFraction = ~ “Copy/Paste from crude Gas_Oil stream”
The furnace for the vacuum tower will be set up similar to the crude tower furnace. A correction stream, Crack-
ing2, will be mixed with the reduced amount of main feed in order to simulate a typical Cracker unit product
stream, while maintaining the overall material balance. First, the main feed is heated in H2, using the following
specifications.
H2Out.P = 4.0 psia

Out.T = 745 °F
Add 4 set operations (SetFlow2, SetT2, SetP2, SetMB2), a material stream (Cracking2), a splitter (SP3) and a
mixer (M5). The specifications for the set operations and cracking correction stream composition are shown
below.
Cracking2.In.MoleFraction: Ethane = 60%
Propane = 20%
n-Undecane = 10%
n-Dodecane = 10%
Attach the product from M5 to the vacuum tower feed (entering at Stage 7).
The vacuum tower can now be specified. Heat integration with the preheat train will fulfill some of the tower spe-
cifications, as with the crude tower. Add a Balance operation for the middle pump around energy connection.
Select the Balance energy input as the pump around energy and output as energy from both E-8A_B and
E10A_B. Attach the energy output from the bottom pump around to the energy input of E-12.
The leak feed on the bottom stage was added to allow vapor traffic in the bottom of the vacuum tower. This is
an inert mixture and should be specified as: In.T = 649.9 °F, In.P = 10 psia, Mass Flow = 15 lb/h, Composition =
100% N2
The pressure values, initial estimates, convergence parameters and remaining specifications for the vacuum
tower can now be entered in the “Specs/Estimates” tab, as listed below.
Internal liquid flow from stage 2 = 0.1 lbmole/hr
Bottom pump around rate = 15388 bbl/day
Slop Wax product flow = 1,100 bbl/day
HVGO product flow = 16,800 bbl/day
Vacuum Residual flow (bottom product) = 11,000 bbl/day

Parameters: DampingFactor = 0.8
Estimates: Stage 2 Temperature = 230 °F

Stage 7 Temperature = 750 °F
The completed Spec/Estimates form should be similar to the one shown in the following image.
Press the “Solve” button. The vacuum tower should solve and the recycle of the Slop Wax stream should iter-
ate until a solution is reached that is below the flowsheet tolerance.
Flowsheet Enhancements
With the vacuum tower converged the flowsheet is now complete. Material streams can be now be added to all
product streams leaving the tower units and a material stream summary will then include most information of
interest.
Adjustments can be made to the towers to improve specifications. In the crude tower for instance, there can
now be more focus on the product stream properties and the trim energy used to initially solve the tower can be
removed. To do so, enter the crude tower form and click the “Always Restart” check box. This will allow the
user to make changes to the tower without triggering the solver. Select the “Spec/Estimate” tab and enter the
following specifications (once again three specifications are taken by the energy exchange with the preheat
train).
Condenser Temperature = 102 °F
Top liquid product D-86 95 LV% = 232 °F
Heavy Naphtha product D-86 95 LV% = 360 °F
Kerosene product D-86 95 LV% = 515 °F
Diesel product D-86 95 LV% = 650 °F
Overflash liquid = 3,500 bbl/day
Bottom pump around rate = 20,000 bbl/day
Topped crude flow (bottom product) = 37,000 bbl/day
Press the “Last Conv” button after the new specifications have been entered and the tower will attempt to solve.
After the flowsheet solver goes through some iterations the unit status should be “Converged” as shown above
and products leaving the tower will now meet the cut point temperatures that were entered.
Distillation curve operations can be created and connected to the end of each product stream to check that cut
point temperatures match what has been specified. The following figure shows an example of a similar check
that was performed on the diesel product stream. As shown, the D86 95% cut point temperature is 650 °F, as
specified.
One specification can also be changed within the stabilizer tower. A composition volume fraction of n-butane
can be specified as 0.025% in the bottom product rather than the reflux ratio that was entered initially. Either of
these specifications can be used as they will both effect fractionation within the tower, but impurity levels in a
product stream may be more meaningful.
The following image shows the stabilizer tower after the “Last Conv” button has been pressed with the one spe-
cification changed. It can be observed that for the given impurity level of n-butane, a reflux ratio of ~0.6 is neces-
sary.
Lastly, eliminate the trim duty in the vacuum tower by setting it equal to zero. Delete the bottom product flow
specification, which will now be calculated in the same fashion as the previous step (switch a calculated con-
dition for a specified one). After this final change, press the “Last Conv” button and the converged tower should
calculate a bottom product flow of ~18,200 bbl/day.
Original material used to complete this tutorial was kindly provided by Mr. Kaes.
Mr. Kaes can be contacted at:
Gerald L. Kaes, President

Kaes Enterprises, Inc.
522 Kingston Road
Colbert, GA 30628
Phone/Fax: (706) 788-3366
Email: KAESENTER@AOL.com
Oil Data Regressions

Oil Data Regressions with VMGSim
VMGSim introduces in this section two utilities that help to estimate parameters to fit a model to experimental
data.
The first utility is called Oil Properties Regression which handles the estimation of interaction parameters of
dynamic viscosity and liquid density models to fit them to experimental data of oils and their mixtures. The
second one is Oil Source that calculates the best combination of the PIONA (n-Paraffin, Iso-paraffin, Olefin,
Naphthene, and Aromatic) components to match distillation and physical properties data.
Oil Properties Regression (OilProp)

Oil Properties Regression (OilProp)
Main Flow sheet
PFD Stencil
Examples Oil Data Regressions\Oil Prop\OilRegressionOilSolventMode.vmp

Oil Data Regressions\Oil Prop\OilRegressionMixturesMode.vmp
General
The OilProp utility handles the estimation of interaction parameters of dynamic viscosity and liquid density mod-
els to fit them to experimental data of oils and their mixtures defined in Material Streams.
Important:
The oil or its mixtures have to be defined in Material Streams before using this utility; only interaction para-
meters of components that are part of the streams that participate in this utility will be estimated.
It is recommended to use this utility with Material Streams that are not connected to other unit operations in
order to achieve maximum speed on internal regressions. If it is desired to use Material Streams connected to
other unit operations, then a custom regression case is recommended, see the Custom Regression Case...
section for more information.
This utility does not contain connection ports and uses the composition information of the Material Streams that
are referenced. All density and viscosity regressions are performed at atmospheric pressure.
Estimation of Interaction Parameters

Viscosity
Empirical Viscosity Model

When using the Empirical Viscosity model (which is the default model in most of VMGSim property packages),
the viscosity of mixtures can be calculated based on a mixing rule of its components. The mixing rule that is
used in the Empirical Viscosity model is
where:
µmix = viscosity of the mixture,
µi = viscosity of each component,
µE = excess viscosity term,
x i = mole fraction of each compound and,
aij = binary interaction parameter.
The interaction parameters can be set to be symmetric or asymmetric. For both cases, the interaction para-
meters can be calculated as a function of a property that accounts for differences in molecular sizes, in this case
the molecular weight (MW) is used.
If the excess viscosity of the mixture is assumed to behave in a symmetrical manner, the following formula is
applied to calculate the interaction parameters:
In this case, there is only one adjustable parameter: the multiplier Mult1Visc.
If the interaction parameters are considered to be asymmetric the following formulas are used:
In this case there are two adjustable parameters: the multipliers Mult1Visc and Mult2Visc.
Expanded Fluid Model

The general principle behind the Expanded Fluid viscosity correlation is simple: as a fluid expands there is a
greater distance between it molecules and its viscosity decreases.
The Expanded Fluid viscosity model was developed as a viscosity departure-like function:
where:
μ = viscosity of the fluid in mPa s,
μG = gas viscosity in mPa s,
c 2 = fluid constant fit parameter, and
β = a correlating parameter given by:
This form of correlation is found to be adequate at atmospheric pressures over a moderate range of tem-
peratures. The correlation is improved by introducing pressure dependence into the compressed state density
as follows:
where:
ρ0s = compressed state density in a vacuum and,
c 3 = constant.
Mass mixing rules are proposed to extend the Expanded Fluid viscosity correlation to mixtures as follows:
where:
i, j = pure component indices,
nc = number of components,
w = mass fraction of the pure component, and
aij = binary interaction parameter.
The mixing rule interaction parameters are symmetric. The interaction parameters can be calculated as a func-
tion of properties that accounts for differences in molecular energy and type, in this case the critical temperature
(TC) and Watson UOP factor (KW) are used. The following formula is applied to calculate the interaction para-
meters:
In this case, there are two adjustable parameters: multipliers Mult1Visc and Mult2Visc.
Density
Equations of State do not provide an accurate enough model for liquid densities, especially for polar com-
pounds. Therefore, a volume translation (S) is suggested when calculating this property. In order to calculate
accurate mixture densities, a special mixing rule for the calculation of excess volume translations can be used.
The calculation of molar volumes (and hence densities) is given by the following equations:
where:
Vcorr = corrected molar volume, and
V = molar volume calculated by an equation of state.
For mixtures the volume translation is defined by the equations below:
where:
S = volume translation of the mixture,
Si = volume translation of each component,
SE = excess volume translation term,
T = temperature,
x i = mole fraction of each compound, and
aij and bij are the components interaction parameters.
To simplify the calculations, the temperature dependent interaction parameter (bij) can be set to zero and the
interaction parameters are set to be symmetric. The interaction parameters are calculated based on the com-
ponents critical temperature (TC) and compressibility (Z):
There is only one adjustable parameter for the density: the multiplier Mult1Dens.
Create an Oil Prop case

The first step is to create the Material Streams containing the mixtures for which experimental data is available
for regression.
There are three Calculation Modes in this utility: Oil/Solvent, Mixtures and Oil/Solvent (Tabular).
In the Oil/Solvent Calculation Mode two Material Streams must be referenced in the utility, one representing the
Oil and a second one representing a Solvent. This mode allows regressions of mixtures with different
Oil/Solvent ratios for which density or viscosity experimental data are available. In this case the Oil/Solvent mix-
tures are not defined in Material Streams.
The Mixtures Calculation Mode can be used when density or viscosity experimental data are available for mix-
tures that are defined in a Material Stream, in this case one Material Stream must be defined for each mixture.
In the Oil/Solvent (Tabular) option, the experimental data (density and/or viscosity) is entered in a tabular fash-
ion: oil/solvent ratio vs physical properties, the Oil and Solvent are obtained from streams defined in Material
Streams.
For the first two options, the Number of Mixtures participating in the regression utility must be defined in the
corresponding box. One mixture must be defined at minimum and a maximum of fifty mixtures are supported.
Summary Tab
Oil/Solvent and Mixtures Modes
Data for
This grid contains the experimental information of the mixture selected in the drop down menu.
Experimental Data Settings
Data Type
This entry defines the type of experiment from which the data come from. Refinery refers to Temperature
dependent data at constant Pressure, Reservoir (PVT) refers to Stage Pressure dependent data at constant
Reservoir Temperature and, P and T defines experimental data that depend on both temperature and pres-
sure. If Reservoir (PVT) is selected, the properties (density / viscosity) are calculated in the same manners a s a
Differential Liberation PVT experiment.
See Example 1 from PVT Analysis section for an example on how to use the Reservoir (PVT) option.
Pressure / Temperature
Constant Pressure or Temperature for Refinery or PVT experiments respectively.
Phase Type
The phase corresponding to the experimental viscosity data.
Oil/Solvent (O/S) Settings

This frame is only available in the Oil/Solvent Calculation Mode; here the Oil/Solvent Ratio and its Basis are
defined for each mixture. The Oil/Solvent Ratio is defined as Flow of Oil / Flow of Solvent.
Property Curves
This frame allows the selection of the properties for which experimental data is available as well as the addition
of the number of points in the experimental data. Once the property and number of points are set, a new frame
will be shown to add the data.
Oil/Solvent/Mixtures
This grid will show the Reference Stream to which each mixture is connected. In the Oil/Solvent Calculation
Mode the “Oil” and “Solvent” can be connected to Material Streams and their mixtures will be represented in
“Mix_0”, “Mix_1”, etc.
In the Mixtures calculation Mode the Reference Stream will connect the mixtures for which experimental data
are available.
Oil/Solvent (Tabular) Mode
Properties
This frame allows the selection of the properties for which experimental data is available.
Viscosity / Kinematic Viscosity / Density Data

Oil/Solvent (O/S) Ratios
Defines the number of experimetal O/S ratios to be added
O/S Ratio Basis

The mixing basis of the oil and solvent
Data Phase
The phase corresponding to the experimental data (Bulk, Liquid or Vapor).
Data Type
Defines the type of tabular data baht is available (Constant T, Constant P, Constant P and T, P and T).
Settings Tab
Regression Settings
This frame shows different settings for the regression procedure; here the maximum number of iterations, tol-
erance and objective function can be selected. For more information on the different types of objective functions
go to the Productivity Tools / Regression section of this manual.
Interaction Parameters (IP) Settings

This frame shows parameters that are related to regressed variables of the utility.
Viscosity
Viscosity Model
Shows the name of the viscosity model used in the calculations.
Matrix Type
Depending on the viscosity model the type of the regressed matrix can be Symmetric or Asymmetric.
IP Multipliers
Depending on the selected viscosity model in the property package different multipliers are used, as explained
in the Estimation of Interaction Parameters section.
Setting the Multipliers to zero will set all viscosity interaction parameters to zero; hence, the excess viscosity will
be zero.
IP Calculation
Defines the calculation of Viscosity Model Interaction Parameters values:
From Multipliers: Uses multipliers to calculate the model Interaction Parameters, this option has to be active in
order to perform regressions.
From Prop Pkg: Uses the default model Interaction Parameter values defined in the active Property Package.
Density
Density Model
Shows the name of the density model used in the calculations..
IP Multiplier
This is the multiplier used in the regression of the interaction parameters of the density model selected in the
property package, as explained in the Estimation of Interaction Parameters section.
Setting the Multiplier to zero will set all density interaction parameters to zero; hence, the excess density will be
zero.
IP Calculation
Defines the calculation of Density Model Interaction Parameters values:
From Multipliers: Uses multipliers to calculate the model Interaction Parameters, this option has to be active in
order to perform regressions.
From Prop Pkg: Uses the default model Interaction Parameter values defined in the active Property Package.
Plot Tab
Allows the selected property (Viscosity or Density) specified and calculated values to be plotted and viewed.
Plot Window
Here the comparison of the experimental and calculated property values can be seen on a plot. The user can
zoom into the plot window by clicking and holding the left mouse button and dragging the mouse to create a
zoom window of a desired section. Press the Esc key to un-zoom. The plot controls can be accessed by right
clicking on the plot and selecting Show/Hide Plot Control Panel. This will make the plot control appear on the
plot window.
Plot control
Check Boxes
Allows user to toggle several basic plot window configuration items; for example, switch between a Black &
White or Color plot or switch the Y axis between a linear or logarithmic scale.
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Notes Tab
A rich text editor where the user can store notes related to the utility.
Regression Buttons
Regress Parameters
This button will start the regression on the multipliers defining the interaction parameters.
Custom Regression Case …

This button will create and open a new case in the Model Regression based on the regressed and exper-
imental values added in the utility. The new Regression Case can be customized with different settings and
more regressed and experimental variables.
Density and Viscosity Models

If the selected property package (Thermodynamic Model) does not support the use of the density and viscosity
models described in the Estimation of Interaction Parameters section, then a message warning the user
about this situation will appear.
Oil Properties Regression Example 1

Oil/Solvent Calculation Mode Example
This option is helpful when the user has a defined oil and solvent for which experimental viscosities and dens-
ities are available. These experimental data could belong to mixtures of oil and solvent at different ratios. The
Oil/Solvent ratios for each mixture are defined in the utility.
In this case a stream containing an oil and a second one containing a solvent must be defined before using this
tool.
To start setting up this example, the Oil will be defined by a characterized assay and the Solvent will be rep-
resented by a mixture of pure compounds.
The following distillation curve and properties are used in the Oil Characterization environment of VMGSim to
create the pseudo components representing the Oil’s assay:
Distillation curve (TBP)
Vol [Fraction] T [C] Vol [Fraction] T [C] Vol [Fraction] T [C] Vol [Fraction] T [C]
0.0019 68.9 0.0610 215.0 0.1664 317.2 0.2541 391.1
0.0038 98.3 0.0793 235.0 0.1822 330.0 0.2681 401.7
0.0100 125.6 0.0958 252.2 0.1979 344.4 0.2799 412.2
0.0187 150.6 0.1145 270.6 0.2140 357.2 0.2911 422.2
0.0319 173.9 0.1331 287.8 0.2274 369.4 0.3036 431.7
0.0460 196.1 0.1488 302.8 0.2419 380.0 0.3152 441.1
Light Ends
Liquid Density @ 60 F = 999.3 kg/m3

Kin. Visc @ 100 F = 0.0015 m2/s
Kin. Visc @ 210 F = 1.03e-05 m2/s
Range Set = Default

Start a new case, select Advanced Peng-Robinson as the Thermodynamic Model. Go to the Oil Char-
acterization environment of VMGSim and install the assay (for more details go to the Oil Characterization sec-
tion of this manual). In the flowsheet environment, create a Material Stream associated to the composition of
the characterized oil components and named it “Oil”.
Now, define the Solvent Material Stream, this stream is a mixture of pure components as shown in the next fig-
ure. Name the stream as “C4”.
Note that it is not necessary to specify the extensive properties of the streams, only their compositions, since the
temperature will be specified in the OilProp utility and all the calculations are done at atmospheric pressure.
Add an Oil Prop utility.
Open the utility; since this example will use the Oil/Solvent Calculation Mode and only has data for one mix-
ture, the global settings are kept the same. Go to the Oil / Solvent / Mixtures section and add the “Oil” and
“C4” Material Streams to the Oil and Solvent respectively using the Reference Stream drop down menu.
Note that once the Oil and Solvent streams are defined, their molar compositions are automatically added in the
Oil/Solvent/Mixtures frame. Type 19 as the Oil/Solvent Ratio and select Mole as the Oil/Solvent Ratio Basis
to obtain the composition of the mixture Mix_0.
Add the viscosity and density data for Mix_0 as shown in the next figure by checking their respective boxes in
the Property Curves frame and change the phase to Bulk since the physical properties belong to this phase and
atmospheric pressure.
The utility is now Ready to Regress Parameters. Go to the Settings tab to inspect the different options for the
regression.
The default Maximum number of Iterations, Tolerance and Objective Function are 500, 1.0 E-06 and
Least Squares (log), respectively. For more information on the different types of objective functions go to the
Productivity Tools / Regression section of this manual.
Different setting s for the Regressed variables can be modified, depending of the regressed physical properties
and the types of the interaction parameter matrix of the property models.
When the Empirical Viscosity model is selected in the Property Package, the interaction parameters can be cal-
culated as Symmetric or Asymmetric. If the viscosity model is Expanded Fluid then the interaction parameters
are Symmetric. This is set in the Matrix Type box.
The Regressed Matrix box will identify the name of the interaction parameter matrix belonging to the viscosity
model: VMGViscosityExcess1 for the Empirical Viscosity model and VMGEFViscosity for the Expanded Fluid
Viscosity.
Different Multipliers can be seen depending of the viscosity model and selected matrix type (see Estimation
of Interaction Parameters section for more information about the multipliers).
In the case of the density there is only one regressed parameter for the excess molar volume interaction para-
meters which are related to the SeaMathiasDensity matrix.
For this example, select Symmetric as the viscosity Matrix Type and click the Regress Parameters button to
start the regression. Inspect the new calculations and plots once the regression is done.
Observe the close agreement between calculated and experimental results; now, change the viscosity regres-
sion type to Asymmetric, reset the viscosity regression parameters to 0.00 and calculate a new set of results.
Do not reset the density multiplier since only viscosity interaction parameters will be re-calculated.
Click the Regress Parameters button once again to start the regression. Inspect the new calculations and
plots once the regression is done.
Note that the regression produced better results in terms of viscosity.

Let’s expand this example and assume that viscosity data from a different Oil/Solvent ratio is available. First,
add an extra mixture, change to 2 the Number of Mixtures in the grid above the tabs. Once this is done, select
the second mixture ("Mix_1") from the Data for drop down menu.
Mix_1 is a mixture with an Oil/Solvent Ratio of 5 in Mole basis with the following bulk phase viscosity data.
Now, click the Regress Parameters button and the regression will be re-done employing the last set of para-
meters calculated in the Settings tab.
The results for the Mix_1 are shown in the following figures. See the close agreement in viscosity results for
both mixtures from the Summary and Plot tab.
A VMGSim case representing this example can be found in C:\Program Files (x86)\VMG\VMGSimPkg\Docu-
mentation\Manual Examples\Oil Data Regressions\Oil Prop\OilRegressionOilSolventMode.vmp
Oil Properties Regression Example 2

Mixtures Calculation Mode Example
This mode is helpful when defined mixtures have experimental viscosities and densities available. In this case
the streams containing the mixtures must be defined before using this tool.
The following example will go through the use of the Mixtures Calculation Mode. Open a new simulation to start
setting up the case and define the following oil assay in the Oil Characterization environment (for more details
got to the Oil Characterization section):
Characterization Type: Gamma Distribution (Gamma to TBP)
MW = 532 g/gmol
Range Set = Heavy_Oil
Install the assay and create three Material Streams associated to the characterized oil components, add the fol-
lowing compositions and name them as Oil_1, Oil_2 and Oil_3.
Add and open an OilProp Utility.
Change the Calculation Mode to Mixtures and set the Number of Mixtures to 3. Go to the Mixtures frame
and use the Reference Stream to connect each Material Stream.
Add the following Bulk experimental density and viscosity data to "Mix_0", "Mix_1" and "Mix_2" measured at
atmospheric pressure :
Now, go to the Settings tab, and set Asymmetric as the Matrix Type for the viscosity interaction parameter
matrix.
Click Regress Parameters button and observe the results in the Summary and Plot tab.
Observe the close agreement between the calculated and experimental data.
mentation\Manual Examples\Oil Data Regressions\Oil Prop\OilRegressionMixturesMode.vmp
Oil Source
Oil Source
Main Flow sheet
PFD Stencil
Examples PIONAOilSourceExample.vmp
PIONAOilSourceCnAnalysisExample.vmp
For more information on the Oil Source utility refer to the PIONA Characterization / PIONA Oil Source sec-
tion.
PIONA Characterization
PIONA Characterization with VMGSim
When simulation models involve heavy hydrocarbon feeds the use of individual components to represent the
exact composition of the mixture is not realistic due to the presence of potentially thousands of individual chem-
ical species, corresponding restrictions on currently available analytical techniques, and inefficient use of com-
puter resources for simulation.
In these situations, techniques for modeling the material based on the use of pseudo components are applied
and are often based on an easily measured property like the normal boiling point. In these situations one
pseudo-component with a given average normal boiling point represents a mixture of many pure compounds
that happen to boil within a certain temperature range. It is important to note that this average component rep-
resents not only components boiling at different temperatures, but also components that have distinct chemical
characteristics; like aromatics, naphthenes and paraffins with different individual properties such as density and
viscosity.
The lumped component or pseudo-component grouping method works well in situations where volatility is the
major property of interest and no chemical reactions are present. However, the pseudo-component modeling
technique fails whenever chemically driven separations or chemical reactors are involved in a simulation. The
cause of these complications is the lack of chemical information in the pseudo-components.
In this section, VMGSim introduces a different and new approach of the pseudo-component characterization
technique: the PIONA (n-Paraffin, Iso-paraffin, Olefin, Naphthene, and Aromatic) Characterization. It
consists in using a constant slate of selected compounds that covers carbon number ranges of interest for the
modeling of important and diverse refinery reactors such as hydrocrackers, reformers, and visbreakers based
on the use of pre-set molecular structure groups.
Through combinations of these different component slates, designed to model paraffinic, olefinic, aromatic and
other important chemical types typically encountered in oils, a feed’s measured distillation curve can be
matched in a way similar to that of pseudo-components developed through standard oil characterization. The
key advantage of this new method is the capture of the essential chemistry of the feedstock. The new method is
flexible enough to encode in the characterized compounds known chemical characteristics of the feed ranging
from simple properties such as molecular weight and density to PIONA characterization data.
This new approach has been applied in VMGSim through two different utilities: PIONA Slate and Oil Source.
The PIONA Slate generates a group of pseudo component that represents a feed with different PIONA com-
pounds that boils under a certain temperature range.
The Oil Source is utility that calculates the best combination of the PIONA Slate composition to match distillation
and physical properties data.
For more details on this new characterization technique please refer to the following publication:
Hay, G.; Loria, H.; and Satyro, M.A. Thermodynamic Modeling and Process Simulation through PIONA
Characterization, Energy and Fuels, 2013, 27 (6), 3578-3584.
http://pubs.acs.org/doi/abs/10.1021/ef400286m
PIONA Slate Characterization

Examples Oil Data Regressions\Oil Source\PIONA\PIONASlateExample.vmp
General
VMGSim introduces in this section a new hydrocarbon pseudo component characterization technique based on
molecular structures of component groups chosen from the PIONA classification. These molecular structural
groups are based on having a certain carbon number, each PIONA group for a given carbon number tends to
have differing thermodynamic properties and; therefore, provide the basis for the calculation of physical prop-
erties when developing a process model.
The PIONA Slate Characterization permits to obtain hydrocarbon pseudo components that can represent dif-
ferent types of PIONA (Paraffins, Iso-Paraffins, Olefins, Naphthenes, Aromatics and Dehydrated aromatics)
chemical families with different boiling points.
To create the PIONA pseudo components, the range of carbon numbers required for the representation of the
feedstock is based on the carefully selected initial boiling point (IBP) and end boiling point (EBP) from distillation
curve data. Pseudo component physical properties such as density, viscosity, or heat capacity were trended
versus carbon number by developing empirical trends using good quality pure component databases (for
instance, National Institute of Standards and Technology or Carl Yaws Chemical Properties Handbook).
An example of these empirical trends is shown in Figure 1; it shows potential PIONA structures with varying car-
bon numbers (with emphasis for groups of six carbon atoms) and trends of liquid density at 60 F based on exper-
imental data.
Figure 1 PIONA carbon number versus trended liquid density (from Carl Yaws Chemical Properties Hand-
book)
The resulting pseudo components are the base for the regression of oil feeds that can represent an oil mixture
containing components with PIONA chemical families. The PIONA Slate characterization can be accessed via
the button PIONA Slate from the Thermo Model form. A property package must be selected before using this
feature.
It is important to note that only one PIONA Slate can be created per Thermodynamic Case.
PIONA’s Dehydrated Aromatic Group

The PIONA structure group classification was found to introduce unacceptable property estimation error in stud-
ies when modeling feeds with average carbon number higher than ten, where larger aromatic content was
encountered. Further investigation showed that a single aromatic structure group was not enough to dif-
ferentiate multi-paraffin-branched aromatic components against those more reacted compounds that were
stripped of straight carbon branches.
Thus, a new chemical type was defined as “Dehydrated Aromatic”. The usefulness of this new chemical type is
illustrated in Figure 2 where differences in viscosity at 100 F are clearly shown between an aromatic and a
dehydrated aromatic with identical carbon numbers. From this point onwards whenever PIONA is mentioned
the “A” makes reference to Aromatic and Dehydrated Aromatics chemical groups. From a molecular structure
configuration these Dehydrated Aromatics replace branched contributions to a base aromatic ring with addi-
tional dehydrated aromatic rings.
Figure 2 Aromatic and Dehydrated Aromatic groups vs. experimentally trended viscosity (from Carl Yaws
Chemical Properties Handbook)
PIONA Slate
Status Bar
This bar will show messages that will guide the user through the process of creating a PIONA slate.
Input
The Input frame allows adding the basic distillation information that is needed to build the PIONA slate.
Slate Name
Sets the name of the pseudo component slate, this name will be used to name each pseudo component.
Define Slate by
Defined which physical property will be used to define the initial and final points of the hydrocarbon slate,
options are: Boiling Point (BP), Carbon Number (Cn) and Molecular Weight (MW)
IBP, EBP
If Boiling Point (BP) is selected in Define Slate by, then the initial boiling point (IBP) and end boiling point
(EBP) from distillation curve data are provided here, these values define carbon numbers required for the rep-
resentation of the PIONA slate.
If an IBP lower than 0 C is provided, the form automatically will set it to 0 C.
Starting Cn, Final Cn

If Carbon Number (Cn) is selected in Define Slate by, then the Starting Cn and Final Cn from laboratory data
are provided here, these values define carbon numbers required for the representation of the PIONA slate.
If a Starting Cn lower than 4 is provided, the form automatically will set it to 4.
Starting MW, Final MW

If Molecular Weight (MW) is selected in Define Slate by, then the Starting MW and Final MW from laboratory
data are provided here, these values define carbon numbers required for the representation of the PIONA
slate.
If a Starting MW lower than 62.1 is provided, the form automatically will set it to 62.1.
Approach EBP, Final Cn, Final MW

The user can also set the EBP, Final Cn or Final MW based on a list of different types of feeds, the options are:
Feed EBP (C) EBP (F) Final Cn Final MW

Naphtha 336.85 638.33 22 310.9
Light Gas Oil 466.85 872.33 32 452.4
Middle Distillate 566.85 1052.33 46 644.1
Heavy Gas Oil 676.85 1250.33 66 928.3
Atmospheric Residue 906.85 1664.33 133 1867
Vacuum Residue 1126.85 2060.33 242 3398
If the EBP / Final Cn / Final MW is known the Approach EBP is set to Specified.
Note that when using these slates in specialized reactors, propagation reactions can make product EBP slightly
heavier than the feedstock EBP.
Note: A reduction in errors in the off-gas and vent material balance can be achieved in models using PIONA
slates by adding pure components for the initial carbon numbers in each structure group. This can be done by
adding those pure components to the selected property package before accessing the Slate Characterization; if
this is done pseudo components with similar carbon numbers as the installed pure components will be deleted
from the PIONA Slate (unless the HAP's Slate option is checked, see below).
HAP's Slate
This check box is to be used for environmental applications and when Hazardous Air Pollutants (HAP) pure
components are present in the component list. This option will instruct the characterization to create PIONA
Slate compounds that have similar carbon numbers than the installed HAP's pure components.
For example; if Ehtylbenzene (C8) is already defined, then the PIONA Slate will create an Aromatic C8 com-
pound to take into account any other Aromatic C8 HAP.
Asphaltene Precipitation
This option is to be used for Asphaltene Precipitation applications. This check box instructs the characterization
to Include heavy Dehydrated Aromatic compounds that will behave as asphaltene compounds when modeling
the Asphaltene precipitation with solvents.
Slate Pseudo Components

The names of the slate pseudo components are formed by the name of the slate, the chemical family, a prefix
and a suffix. For example:
HC_Paraffin_ABP[42]C
Names Mode
The naming of the slate pseudo components can also be customized by selecting the naming style which could
be based on boiling points (BP), molecular weight (MW), carbon number (Cn) or carbon number groups (Cn
Groups). If one of the last three options is selected, the prefix and suffix of the name will be automatically set to
be its molecular weight or carbon number; for example:
HC_Paraffin_MW[241] or HC_Paraffin_C8 or HC_Paraffin_C8-C12
Prefix
Defines the prefix used in the name of the pseudo components, it generally defines an acronym for the pseudo
component boiling point: ABP (Average Boiling Point). Only used when the Names Mode is BP.
Suffix
Defines the prefix used in the name of the pseudo components, it defines the temperature scale of the pseudo
component boiling point. Only used when the Names Mode is BP.
Slate Range Settings

This grid defines the number of cuts, minimum and maximum temperature and delta temperature of the cuts for
each range (Light, Medium and Heavy) in the PIONA slate.
The Light Range defines components with the first cut starting at IBP and finishing at IBP + 150 K, the Medium
Range defines components with the first cut starting at IBP + 150 K and finishing at EBP. If the EBP is larger
than 740 K, then a Heavy Range is defined. This range will start at 740 K and finish at the EBP.
The number of cuts for the first two ranges and the cut delta temperature for the Heavy Range can be modified;
defaults are 5 and 8 cuts for the Light and Medium ranges.
If the Asphaltene Precipitation box is active, then a third or fourth range set will appear. This range set
defines the number of cuts to be used in the heaviest part of the characterization. The Asph. Precip. Settings
box will enable recommended values for the Asphaltene Range set.
PIONA/Atomic Inclusion
In this frame the chemical families to be included in the characterization slate are selected. When Aromatics or
Dehydrated Aromatics are selected, grids with special setting will be prompted.
The selection of Dehydrated Aromatics will also enable the selection of the Atomic Inclusion (nitrogen, sulfur,
vanadium nickel and iron).
Pseudo components with atomic inclusion contain the selected heteroatom in their chemical formula. Their
chemical family is Dehydrated Aromatics, and their physical properties will be similar to those from this family.
Aromatics, Dehy., S, N, V, Ni and Fe Aromatics Settings

The extra settings that can be modified when creating PIONA slates with Aromatic and Dehydrated Aromatic
pseudo components are multipliers that can modify their Densities, Viscosities and Heating Values.
In addition, the Hydrogen to Carbon ratio and the heteroatoms weight percent for the dehydrated aromatic
pseudo components can be modified in these settings. Different defaults based on previous studies for these
settings are provided in the PIONA Slate.
Create and Delete Slate
Once the input variables, families and their settings are provided, the “Create Slate” button will produce and
install the slate pseudo components in the selected property package. The “Delete Slate” button will uninstall
all the PIONA slate pseudo components that have been previously installed in the property package.
Before installing the pseudo component slate, VMGSim checks the pure components installed in the property
package and eliminates any slate pseudo component with similar carbon number and chemical family as the
installed pure compounds (unless the HAP's Slate option is checked).
A typical output of the slate pseudo components combined with pure compounds is shown in the following fig-
ure:
PIONA Slate Example

In this example, the PIONA Slate used in the Naphtha Cracking Furnace Plant example (Plant Examples\Al-
ternative Energy and Fuels\SS-NaphthaCrackingFurnace.vmp) in VMGSim will be created.
The data that is necessary to build the slate is shown in the following table:
Name HC
IBP 26.85 C (300 K)
Approach EBP Light Gas Oil
Names Mode Cn
Start a new case, select Advanced Peng-Robinson as the Thermodynamic Model, and then open the PIONA
Slate form using the button at the bottom of the Thermo Model form:
When the PIONA Slate form is prompted add the information from the previous table:
Now, the PIONA Slate is ready to be created. Click on the Create Slate button and the slate will be added to the
selected property package.
Close the form and inspect the created assay. Let’s pay attention to the created Aromatic compounds; it can be
that the first three compounds represent Aromatic compounds with 6, 7 and 8 carbon numbers respectively.
A reduction in errors in the off-gas and vent material balance can be achieved in models using PIONA slates by
employing pure components for the initial carbon numbers in each structure group. Then, in this example let’s
add the following pure aromatic compounds: Benzene, Toluene, and Styrene; these three compounds have car-
bon numbers of 6, 7 and 8 respectively and can replace the first three components from the Aromatics slate.
Add the compounds to the property package and open the PIONA Slate form and click once more in the Create
Slate button. Re-creating the slate will check for pure compounds, installed in the property package, with sim-
ilar carbon numbers and chemical families and eliminate them from the slate.
Now take a look to the slate Aromatic compounds that were created:
It can be seen now that the first three aromatic compounds were eliminated and replaced by Benzene,
Toluene, and Styrene in the slate; see that the number of compounds did not change since three PIONA slate
pseudo components were eliminated and three pure components were added. Note that Benzene, Toluene,
and Styrene were sorted from the list of the property package compounds to appear before the Aromatic com-
pounds.
We can add more pure components to better represent the hydrocarbon slate. Add the following pure com-
pounds to the property package:
Water Ethane 1 Butene

Hydrogen Propane 2 Butene
Oxygen n-Butane Acetylene
Nitrogen iso-Butane Methylacetylene
Carbon Ethylene 1,3-Butadiene
Carbon Dioxide Propylene
Methane iso-Butene
Open the PIONA Slate form again and change the Name Mode and Suffix to BP and C respectively, and click
once more in the Create Slate button. Now, sort the pure compounds in a way that they are grouped by chem-
ical family and carbon number. After sorting, the resulting list of compounds will be the same as those used in
the Naphtha Cracking Furnace Plant example.
mentation\Manual Examples\Oil Data Regressions\Oil Source\PIONASlateExample.vmp
Oil Source
Oil Source
Main Flow sheet
PFD Stencil
Examples Oil Data Regressions\Oil Source\PIONAOilSourceExample.vmp

Oil Data Regressions\Oil Source\PIONAOilSourceCnAnalysisExample.vmp
General
The PIONA molecular structure pseudo-component approach is based on the minimization of the error on any
available laboratory data by combining different amounts of PIONA components representing a defined carbon
number that will be used to represent the desired feed.
Typical data used in this method are distillation curves, bulk properties such as density or viscosity, and other
chemistry specific information such as hydrogen to carbon ratio. There are usually multiple mathematical solu-
tions to the minimization problem and equivalent component slates can be generated. In order to define the
“best” characterization that is physically meaningful, general molecular structure trends and carbon number dis-
tributions can be used to help shape the eventual solution.
Mathematically the model seeks the best combination of PIONA component compositions based on the min-
imization of the error between calculated and specified physical and chemical properties. The compositions of
PIONA species are determined using statistical distributions such as the gamma probability density function
commonly used for hydrocarbon characterization.
The Oil Source unit operation is a utility that handles the previous explained procedure and estimates the best
composition of a PIONA Slate to match given experimental data. This tool is very versatile since it can handle
property estimation for a variety of applications including tight fluids, refinery and asphaltene precipitation.
To use this unit operation a PIONA Slate pseudo components and / or hydrocarbon pure compounds should be
added to the selected property package.
Schematic
By clicking the Schematic/Connection Node a view of the schematic diagram and connections is shown.
This utility contains only one out connection port and estimates the composition for hydrocarbon slates. All dis-
tillation curves and physical property calculations are performed at atmospheric pressure.
Application
Depending on the selected application type different option will be available for the experimental variables and
laboratory analysis. Relevant properties are analysis are considered for each type of application.
Tight Fluids
This application type is useful to model gas and liquids from tight hydrocarbon resource plays. These fluids are
commonly described by extended hydrocarbon analyses that can be complemented with other physical prop-
erties like molecular weight, liquid density and saturation pressure.
Oil / Refinery
This application type can be used to characterize crude oils and petroleum fraction assays that represent feeds
or products for refinery processes. This option is very flexible since it can be employed to characterize light to
heavy hydrocarbons by making use of their compositional information and physical properties.
Deasphalting
This option is aimed for modeling asphaltene precipitation experiments; here a heavy oil or bitumen is defined
by its SARA analysis and the asphaltene yield at different oil / solvent ratios can be used to regress the Oil
Source parameters to match the experimental data. The use of the SARA Regular Solution property package
is highly recommended when selecting this application type.
Summary Tab
Laboratory Analyses
This frame contains a list of the most common compositional and physical property laboratory analyses, by
selecting each one of them a tab containing the details of such analysis will appear. The list of analysis depends
on the selected Application type:

Tight Fluids:
Oil / Refinery:
Deasphalting:
Bulk Experimental Variables and Options

In this frame the bulk physical properties that are available can be selected and added to the regression utility.
Once a variable is selected by clicking on the Active box, the experimental value must be added in the Specified
box. The Scale column refers to the scale factor used for a specific physical property during the regression,
reducing the scale factor for the experimental variables will increase their importance during the regression.
Defaults for these scale factors are based on previous studies.
The Option frame contains settings for calculating specific experimental variables, these settings include the
basis for the H/C Ratio (Mass or Mole), the Density @ 60 F basis (Bulk Density @ 60 F and 1 atm or Standard
Liquid Density @ 60 F and 1 atm) and the Saturation Temperature for the Saturation Pressure calculation.
As in the Laboratory Analyses, the list of bulk experimental variables and options depends on the Application
type:
Tight Fluids:
Oil / Refinery:
Deasphalting:
Material
Shows the material port of the outlet of this utility, here is where the estimated slate composition can be
observed.
Light Ends Analysis Tab

In this tab the lights ends information can be entered. Light ends are pure hydrocarbons that may have been
analyzed separately from the distillation curve assay, or they may have been indirectly measured by the res-
ulting distillation temperature measured by the batch distillation experiment.
Options
Light Ends Basis

Defines the basis of light ends data. The options are Volume, Mass and Mole.
Use LE in Bulk Exp. Vars.

When the box is checked, it includes the Light Ends in the calculation of the bulk experimental variables; if the
box is unchecked, then the bulk properties are calculated as light ends free properties. The default is checked.
Light Ends Calculation Method

Used to define the light ends calculation mode:
Specify: Uses the provided light ends composition to specify the composition slate.
* Auto Calculate: The composition as well as which light end compounds are necessary to describe the dis-
tillation curve will be internally calculated by the Oil Source unit operation.
* Match: Normalizes the provided light ends composition to match the lower boiling point fraction of the dis-
tillation curve.
Heaviest Light End defined by

Defines the physical property (Carbon Number or Boiling Point) used to define the heaviest light end in the list
of components from he Light Ends Analysis frame.
Max. Cn / Max. BP
Defines the Carbon Number or Boiling Point of the heaviest light end that will be part of the list of components
from the Light Ends Analysis frame.
Remove unspecified LE from list

This option removes the light ends with unknown compositions from the list, the composition of these com-
pounds will be internally calculated.
Light Ends Analysis

This frame presents the total composition of the light ends with respect to the total oil as well as the light ends
composition table.
Distillation Curve Tab

This tab contains the frames where the distillation curve laboratory analysis can be added, the tab also shows
the plot of the experimental and calculated distillation curve.
Options
Type
Distillation curve types are: TBP, D86, D2887, D1160, D1160 Vacuum and EFV; distillation curve basis are:
Mass, Mole, and Volume. If the distillation curve type is D1160 Vacuum, the pressure of the distillation curve is
considered to be P = 10 mmHg.
Basis
Defines the basis of the distillation curve. The options are Volume, Mass and Mole.
Curve Points
Defines the number of points that form the distillation curve.
Calculation Mode
Defines the way in which the internal cut groups are created and how the mass is distributed among these
groups:
Direct
The range of the internal cut temperature groups will be based on the normal boiling points of the slate com-
ponents, and the mass distribution among the groups will be calculated directly from the entered distillation
curve. This is the default Distillation Curve calculation method.
Distribution
The range of the internal cut temperature groups will be based on the entered Cut Group Delta Temperature
variable, and the mass distribution among the groups will be calculated from a gamma distribution controlled by
the regression parameters.
Adjusting Factors
Used only when the Direct calculation method is active. These factors can be used to fit the initial and end
points of the distillation curve, if desired they can be regressed to match the distillation curve experimental data
by clicking on the Regress Adj. Factors button.
Distributions Tab
In this frame the PIONA and SARA Analysis variables can be selected and added to the regression utility.
Options
PIONA Basis
Defines the PIONA Analysis composition basis, options are Mass, Mole and Volume. Default value is Mass.
SARA Basis
Defines the SARA Analysis composition basis, options are Mass, Mole and Volume. Default value is Mass.
Cut Group Delta T

This variable is used to define the initial number of cut groups of the slate. See the definition from the Settings
tab fro more details.
PIONA Analysis
This frame contains the PIONA Analysis as well as the Aromatic/Dehydrated Aromatic ratio. The Active, Spe-
cified and Scale column have the same functions as in the Bulk Experimental Variables frame.
SARA Analysis
This frame contains the SARA Analysis. The Active, Specified and Scale column have the same functions as in
the Bulk Experimental Variables frame.
Adjusting SARA Factors

These are distribution factors between SARA families that can be modified to match a certain laboratory ana-
lyses.
Distribution Plot
This plot shows the PIONA Distribution through the average boiling point, carbon numbers or molecular weight
cuts of the composition slate, this cuts are set internally by the Oil source and cover the range of boiling points,
carbon number and molecular weight for which the composition is more than zero.
Atomic Inclusion Tab

This tab allows setting heteroatoms mass or mole contents. It is important to note that in order to set these val-
ues, components containing these heteroatoms must be added to the property package. Once a mass or mole
atomic content is added, the composition of the slate is re-calculated to match the specified value based on the
heteroatoms distribution settings.
Atomic Inclusion
Here the heteroatom contents are entered in Mass or Mole basis.
Distribution Settings
This frame provides adjusting factors for the compositional distribution of heteroatoms (sulfur, nitrogen, vana-
dium, nickel and iron) in the slate. Defaults were obtained based on previous studies, increasing these default
values will increase the heteroatom content in the heavier cut ranges. The plot in this tab gives an idea on how a
specific heteroatom is distributed in the component slate.
Cn Analysis Tab
This tab is enabled when the Cn option is selected for the Carbon Number (Cn) Compositional Analysis box in
the Laboratory Analysis of the Summary tab.
Note that when the Carbon Number (Cn) Compositional Analysis is selected, the Light Ends Analysis cannot
be selected and viceversa.
The Cn Analysis combines the composition of low molecular weight pure compounds (Light Ends) and labor-
atory defined Carbon number groups. These compositions are obtained through a chromatographic analysis
where the heavy hydrocarbons are lumped into a single group called hydrocarbon plus fraction. These types of
analyses are quite popular in the hydrocarbons industry because they require smaller samples, less time and
less cost than a distillation curve analysis.
Options
This frame contains the analysis basis, Carbon number distribution limits, the definition of the Cn group ranges
and, a toggle to define if light ends will participate in the Cn distribution.
Basis
The basis can be entered in Mass (Default), Mole or Volume.
Cn Groups Defined By
This option is used to decide how the Carbon Number ranges are defined: by actual Carbon Numbers or by
Boiling Points. This option also defines if the properties of the Carbon Number "plus" fraction are defined based
on a Carbon Number or Boiling Point.
Cn/BP for Cn+ Fraction Properties

Defines the Carbon Number or Boiling Point from which the properties of the Carbon Number "plus" fractions
are defined. For example, if 7 is selected all components with Cn >= 7 will be considered for the "plus" fraction
Molecular Weight and Std Liquid Density calculations; if 100 C is selected all components with Normal Boiling
Points >= 100 C will be considered for the Plus fraction Molecular Weight and Std Liquid Density calculations.
Input for n-Paraffins (nP)

Activates the inclusion of the n-Paraffins Carbon Number distribution that allows a better modeling of waxy
crudes.
Paraffin Distribution
Defines how the n-Paraffin Distribution is entered:
Cn Distribution: n-Paraffins distribution is entered as the total composition per Carbon Number
Cn Fraction: n-Paraffins distribution is described as the fraction of each individual Carbon Number
The distribution types can accept unknown values
Cn Distribution Settings
Distribution Starting Cn and Cn+

Define the starting and plus Cn’s for the Cn Distribution, the default values are 7 and 20, respectively.
Use Default BP range

This option is enabled if the BP Range option is activated in the Cn Group Defined by box. The default Carbon
Number boiling point ranges are based on tables presented in the work of Katz and Firoozabadi (Predicting the
Behavior of Condensate/Crude Oils Systems using Methane Interaction Coefficients.JPT 30, 11, 1649-1655,
1978). If the toggle is turned off then the user can provide a particular definition for the boiling point ranges.
Add Light Ends to Cn Distribution

This check box defines if pure light ends will participate in the Cn Distribution calculations from the Oil Source
unit operation.
Add unspecified to Cn Distribution

This option removes all the light ends and pure components with unknown compositions from the Light Ends /
Pure Component list and add them to the Cn Distribution Calculations
Total Distribution
This frame shows the entered Light Ends and Cn Distribution fractions, if the total fraction does not add up to
100%, then a Warning message is displayed and a Normalize Analysis button will appear to fix the entered
fractions.
Cn Analysis
Bulk Properties
This frame is similar to the Bulk Experimental Variables frame in the Summary tab. It contains the Molecular
Weight, Liquid Density and Saturation pressure of the bulk mixture; values can be specified here or in the Sum-
mary tab.
Bulk Properties Options

This frame contains the options for the Density @ 60 F basis and the Saturation Temperature for the Saturation
pressure calculation.
Cn+ Fraction Properties

In this frame the properties of a "plus" Carbon Number fraction can be selected and added to the regression util-
ity. The Active, Specified and Scale column have the same functions as in the Bulk Experimental Variables
frame. The "plus" Carbon Number fraction can be based on a Carbon Number or Boiling Point , this can be spe-
cified in the Options frame.
Light Ends / Pure Components / Cn Distribution

This frame contains tables where the compositional distribution is added, the Light Ends table contains all the
pure components available in the thermo case except for Water (the Cn Analysis are always in dry basis). Most
of these components are low Cn Hydrocarbons in addition of some low molecular weight gases, like CO2 or
N2. The Cn Distribution table has the Cn and boiling point ranges (in case the option is selected) for which a
reported distribution exists; note that the last Cn represents the plus fraction.
This table could also contain the n-Paraffin distribution in case the Input for n-Paraffins (nP) box is selected.
Notes on Cn Analysis Calculations

The Oil Source internally creates component groups based on their normal boiling point and assign a mass dis-
tribution based on a Gamma distribution, the parameters of the distribution can be seen in the Settings tab
inside the Regressed Parameters frame. The mass distribution between components of the same PIONA spe-
cies is controlled by the “splits” of each group than can also be seen in the same frame.
In the specific case of the Cn Analysis, the light ends (i.e. pure components) do not participate in the internal
groups and their compositions are directly passed to the final composition slate. Each internal group has a min-
imum and a maximum Carbon Number and an initial and ending boiling point; these boundaries are used to nor-
malize the mass content of each group based on the information given in the Cn Distribution and the definition
of the Carbon number group ranges, in this way the compositions between Carbon number groups are always
matched.
For example, if the C7 composition is defined and the Carbon Number group ranges are defined by actual Cn’s,
then this composition is distributed through all the PIONA slate components with 7 < Cn < 8; if the Carbon Num-
ber ranges are defined by boiling points, then the defined initial and ending boiling points for C7 are the bound-
aries used to define which components participate in the mass distribution of the C7 composition.
It is important to note that preferred basis to input the Cn Analysis data is Mass because all the internal cal-
culations are also mass based; if the data is given in Mole or Volume basis, hydrocarbon standard molecular
weights and liquid densities at 60 F from Katz and Firoozabadi are used to inter-convert the fractions. In addi-
tion, the Mass basis is more reliable because chromatograph compositions are measured in mass and con-
verted to mole and volume basis based on calculated molecular weights and liquid densities that are not always
reported in the laboratory analysis.
The calculation of the physical properties for the defined Cn+ fraction involve the composition and properties of
all the flowsheet components that are inside the Cn+ definition based either on carbon number or boiling pot;
i.e. if 7 is selected as the Cn+ then all components with Cn >= 7 will be considered for the Plus fraction Molecu-
lar Weight and Std Liquid Density calculations or if 100 C is selected as the BP+ then all components with
Normal Boiling Points >= 100 C will be considered for the Plus fraction Molecular Weight and Std Liquid Dens-
ity calculations.
In the Cn Analysis is common to report saturation pressures at a specific temperature or Reid vapor pressures,
these properties can be also matched and added to the regression using the Custom Regression Case… but-
ton.
PIONA Analysis Tab
This tab is enabled when the PIONA option is selected for the Carbon Number (Cn) Compositional Analysis
box in the Laboratory Analysis of the Summary tab.
Note that when the Carbon Number (Cn) Compositional Analysis is selected, the Light Ends Analysis cannot
be selected and viceversa.
The PIONA Analysis is similar to the Cn Analysis with the addition of having the PIONA composition per Cn.
These type of analyses are not very common but they are very useful to characterize product streams.
Options
This frame contains the analysis basis and plus Carbon numbers per PIONA family.
Basis
The basis can be entered in Mass (Default), Mole or Volume.
Family Cn+
Defined the Cn+ for each PIONA family. The default plus Cn’s are 10 for each family.
Total Distribution
This frame shows the entered fractions per PIONA family, if the total fraction does not add up to 100%, then a
Warning message is displayed and a Normalize Analysis button will appear to fix the entered fractions.
PIONA Analysis
The PIONA Analysis frame contains tables where the compositional distribution per carbon number is added,
the Non-Hydrocarbons table contains all non-hydrocarbon pure components available in the thermo case. Most
of these components are low molecular weight gases, like CO2 or N2. The Paraffins, Iso-Paraffins, Olefins,
Naphthenes and Aromatics tables contain components (pure or pseudo components) that are part of these
respective families. Here, the user will specify the corresponding composition per carbon number and family.
Notes on PIONA Analysis Calculations

In the specific case of the PIONA Cn Analysis, the specified components in the PIONA Analysis tab do not par-
ticipate in the internal group distributions and their compositions are directly passed to the final composition
slate, i.e. only the components lumped into the Cn+ fraction of each family will be distributed by the Oil Source
computations.
If bulk physical properties are given in the PIONA Analysis and are to be matched, then they are entered in the
Bulk Experimental Variables frame from the Summary tab; arguably any experimental data provided in the
Summary tab can be matched (distillation, density and viscosity curves). Any other property that is not available
in the Oil Source can be also matched and added to the regression using the Custom Regression Case… but-
ton.
Asphaltene Precipitation Tab

This tab is enabled when the selected Application type is Deasphalting.
This tab can be used to enter asphaltene precipitation experimental data to be regressed within this unit oper-
ation. In order to model Asphaltene precipitation using the PIONA characterization, the user first has to create a
PIONA slate that has enough dehydrated aromatics to represent asphaltenes and resins, to do this go to the
PIONA Slate environment and check the Asphaltene Precipitation box that enables the calculation of an
extended list of dehydrated aromatic components, also the Asph. Precip. Settings box inside the Range Set-
tings should be checked. Once this is done, the slate can be created by clicking on the Create Slate button.
In order to ensure the best results for Asphaltene precipitation is highly recommended to use the SARA Regu-
lar Solution Property Package, this property package has a proven record for estimating the correct
amounts of asphaltene precipitated with solvents ranging from C3 to C16.
SARA Distribution Configuration
SARA Distribution
The SARA (Saturates, Aromatics, Resins and Asphaltenes) distribution must be added in this frame.
Options
Sara Distribution Basis

Defines the SARA Distribution basis, options are Mass, Mole and Volume. Default value is Mass.
Asphaltene Precipitation Data

This box is checked if Asphaltene Precipitation experiments will be added to the unit operation.
Asphaltene Precipitation Experiments

Defines the number of Asphaltene Precipitation experiments that will be added. Each experiment is defined by
the following data:
Temperature
Pressure
Solvent
A series of Solvent /Oil ratios (e.g. mass of solvent / mas of oil)
A series of Asphaltene Yields (e.g. mass of precipitated asphaltene / mas of oil)
Include All Regression Parameters

This box is checked to include all the parameters that affect the calculation of bulk experimental variables and
laboratory curves (distillation, density or viscosity) inside the regression procedure of the unit operation. This is
only necessary when bulk variables and / or laboratory curves are included in addition to the Asphaltene Pre-
cipitation data in the Oil Source.
Asphaltene Precipitation Data for Experiment
Experimental Settings
Defines a series of settings for each individual asphaltene precipitation experiment:
Experimental Points define the number of solvent/ / oil ratios and asphaltene yields measurements available
for the current experiment.
Temperature and Pressure refer to the conditions for which the experiment was carried out.
Solvent and Asph. Yield Curve Basis refer to the Solvent composition (if formed by more than one com-
pound) and the solvent / oil ratio and asphaltene yield basis; both have the same options (Mass, Mole and
Volume. Default values are Mass.
Solvent
The Solvent composition is specified here.
Note: A solvent can be formed by any pure compound or hypothetical compound that is not a PIONA Slate com-
ponent.
Asphaltene Yield Curve

The solvent / oil ratios and asphaltene yields for each measurement of the current experiment are added here.
Notes on Asphaltene Precipitation Calculations

One of the characteristics of the Regular Solution Model is that the components forming the oil or bitumen are
labeled based on SARA families and the liquid - liquid equilibrium ratios between asphaltene rich and oil rich
phases are based on solubility correlations that depend on the amount and properties of those SARA families.
Therefore is very important to get the right compositional distribution of asphaltene components to match the
asphaltene yield data.
To match the experimental data (by clicking on the Regress Parameters button), the Oil Source will use the
asphaltenes molecular and alpha parameters (see the Regress Parameters section on the Settings tab) to
match the precipitation data; the resins parameters can also be added through a custom regression case (by
clicking on the Custom Regression Case... button); however, the regression will be slower and depending on
the data quality the improvement in the error will be minimal.
In the case that distillation or bulk experimental data is also given to the Oil Source, then the rest of the para-
meters from the Regress Parameters list in the Setting tab should be used, and this can be done by checking
the Include All Data in regression box from the Options frame of this tab.
Asphaltene Yield Curve

This tab is also enabled when the selected Application type is Asphaltene along with the Asphaltene Pre-
cipitation tab.
The tab presents the Asphaltene Yield table and plot for each available experiment.
Density, Viscosity and Kinematic Viscosity Curve Tabs

These tabs will show frames and plots with the specified and calculated values of the distillation or property
curves. Number of points in the curves can also be modified in these tabs.
The frames are used to add the different points available for these curves. Scale factors for each point of the
curves are provided for the regression process.
Wax Tab
This tab is enabled when the Wax Precipitation box from the Summary tab is checked, this option is only avail-
able when the Application type is Oil / Refinery or Tight Fluids. Traditional wax precipitation calculations like
Wax Appearance Temperature (WAT), Wax Envelope and Wax Precipitation Curve (WPC) are included here.
Total Wax Content (Mass)

The Total Wax Content is used to estimate the n-paraffin distribution in waxy crude oils, that is required for mod-
eling wax phase behavior. It is defined as the amount (in mass) of C20+ Paraffins present in the feed. Exper-
imentally this is determined using the industrial standard UOP Method 46.
If the n-paraffin distribution has been defined in the Cn Analysis tab this amount is calculated from this input and
cannot be specified. If neither n-paraffin distribution nor the wax content is available, the value is calculated
based on VMG's internal correlations for n-Paraffins distributions.
Specify
Allows specification of the Total Wax Content, if n-paraffin distribution has been defined in the Cn Analysis tab
this box will not be shown.
Specified
Used to enter the specified Total Wax Content in Mass basis.
Calculated
Shows the calculated Total Wax Content in Mass basis.
Wax Precipitation Calculations
Wax Appearance Temperature (WAT)

Enables the Wax Appearance Temperature calculations. The WAT)refers to the onset temperature at which
the precipitation of wax is observed at a given pressure. WAT is the most difficult point to measure in a wax pre-
cipitation curve, as it is theoretically the point where the first infinitesimally small amount of wax is formed. In
practice it is only possible to detect a finite amount of wax; in VMGSim the WAT is obtained when this finite
amount of mass appears in the wax phase.
Wax Envelope
Activates the WAX Envelope calculation. This is a plot that represents the boundary at which the wax phase
appears at the specified onset fraction at different pressures.
Wax Precipitation Curve (WPC)

Enables the Wax Precipitation Curve. This is a curve that shows the amount of precipitated wax (in mole %) as
a function of the temperature at a constant pressure.
WAT
WAT Phase Fraction Criterion

The molar phase fraction at which the wax phase is spawned in the mixture.
Pressure
The pressure at which the WAT is calculated.
WAT
The calculated WAT value.
Wax Envelope
WAT Phase Fraction Criterion

The molar phase fraction at which the wax phase is spawned in the mixture.
Min. Pressure
Initial pressure of the curve.
Max. Pressure
Final pressure of the curve.
Number of Points
Number of points to be calculated for the wax envelope curve.
WPC
Min. Temperature
Initial temperature of the curve.
Max. Temperature
Final temperature of the curve.
Pressure
The pressure at which the wax precipitation is calculated.
Number of Points
Number of points to be calculated for the wax precipitation curve.
Settings Tab
This tab allows the user entering diverse parameters that affect the calculation and regression of physical prop-
erties and laboratory analyses.
Load Parameters for

Define different sets of Regressed Parameters and Settings depending on the selected fluid type. The Oil
Source will provide the best guesses for the parameters of each fluid type to make the regression process
faster. Options are: Naphtha, Light Gas Oil, Middle Distillate, Heavy gas Oil, Atmospheric Residue, Vacuum
Residue and Whole Crude.
Main Settings
Saturation T
Defines the temperature at which the Saturation Pressure from the Experimental Variables is calculated. The
default values is 22 C. Only available when the Application type is Tight Fluids.
Cut Group Delta T

This variable is used to define the initial number of cut groups of the slate (nGroups); the number of groups is
defined as:
where:
NBPmax = Maximum boiling point of all components in the slate,
NBPmin = Minimum boiling point of all components in the slate, and

CutΔT = Cut Group Delta T.
Regression
This frame shows different settings for the regression procedure; here the maximum number of iterations, tol-
erance and objective function can be selected.
PIONA Family Inclusion

This frame is used to include or exclude specific chemical families from the material balance regression of the
slate.
Regressed Parameters
The frame shows the resulting values of different regressed parameters for the adjustment of the composition
of the slate to match experimental data. Depending on the Application type, different regressed parameters will
be available:
Tight Fluids and Oil / Refinery:
Deasphalting:
Gamma Distribution Parameters

Parameters Alpha, Beta, Scale and Shift are parameters used in the Gamma distribution probability density
function.
Splits
These values are different distribution scale factors for the compositions of different chemical families (P, I, O,
N, A, Adh) predicted by the gamma distribution probability density function.
Delta IBP and EBP

These are adjustment factors for the initial and end boiling points of the hydrocarbon slate when a distillation
curve is provided.
Resin and Asphaltene Distribution Parameters

These parameters are only available when the Application type is Deasphalting. The parameters refer to
Gamma distribution variables that control the amount of the Resins and Asphaltenes to be precipitated by a
given solvent, by default only the Asphaltene parameters participate in the automatic regression (Regress
Parameters button), if the user wants to include the Resins parameters, they would have to be included in a
custom regression case(Custom Regression Case... button).
Reset Parameters Button

Resets all the Regressed Parameters values to their original default values, based on the selected fluid type.

Shows equilibrium results for the port selected in the pull down menu.
Notes Tab
Regression Buttons
Regress Parameters
This button will start the regression on different variables for the adjustment of the composition of the slate to
match experimental data.
Custom Regression Case …

This button will create and open a new case in the Model Regression based on the regressed and experimental
values added in the utility. The new Regression Case can be customized with different settings and more
regressed and experimental variables.
Oil Database Buttons
Load from HCAMS...

Browse crude databases in H/CAMS software (Haverly Systems) and load physical properties of a specific
crude. H/CAMS software must be installed on the machine. See the Oil Source Database section of this
manual.
Load from DB...

Opens the Oil Database environment to select and load a specific assay. See the Oil Source Database section
of this manual.
Save to DB...
Opens a dialog box to save the current Oil Source information to the Oil data base. See the Oil Source Data-
base section of this manual.
Oil Source Database

General
The Oil Database is an electronic tool that stores information relating to oils that can be accessed, manipulated
and updated by the Oil Source unit operation in VMGSim. The information from this database is used to cal-
culate Oil Source unit operations with laboratory experiments that can be used to model refineries and other
related processes.
The pre-packaged oil database in VMGSim currently consists of 449 assays from the Environmental Science
and Technology Centre, a department of Environment Canada [1]. Each assay consists of various physical
properties such as distillation, density and viscosity curves that can be used to specify Oil Source unit oper-
ations. In addition to these assays, a user can built databases with their own defined Oil Sources.
The Oil Database can be accessed through the Oil Source unit operation by means of the two buttons at the top
right: Load from DB to import information to an Oil Source from a database and, Save to DB that will allow
exporting Oil Source information to a database.
Load an Assay from the Database

To load an assay from an specific database, click in the Load from DB button to bring up the Oil Database
browser.
Oil Database Browser
In this browser window, the active database assays can be selected and their experimental curves, properties
and general data can be inspected.
Assay Filters
Database
This frame contains a box where a desired Database can be select by means of a drop down menu.
Select Assay
This frame contains the assay collection available in the active database. Here the Assay Name, Liquid Density
@ 60 F and Molecular weight (if available) can be inspected.
Assay Data Preview

This data shows the experimental curves and general data available for the selected assay.
Curves Tab
Here the different types of available experimental curves can be selected to be seen in the plot area.
General Data Tab

General information about an assay is stored here.
Load Assay button

Once a database assay is selected, clicking on the Load Assay button will import the selected assay to the act-
ive unit operation using the information form the database.
Save an Assay to the Database

Once an Oil Source has been created , its information can be added to a User defined Oil Database, to do this
click in the Save to DB button to bring up the Oil Database manager.
Here the Oil Source information can be added to the User DB and it can be saved with the desired name. Once
this is done, all the information will be available in the Assay collection of the User DB, including distillation and
experimental curves, bulk experimental values, PIONA compositions, Cn Compositional Analysis and the
regressed parameters used in the Oil Source.
Environment Canada[1] Database

As mentioned before VMGSim contains a pre-packaged oil database based on the information of the Envir-
onmental Technology Centre from Environment Canada[1]. These database contains information for 449 oils
from around the world. Most of these oils contain distillation, density and viscosity curves as well as bulk liquid
density at 60 F.
Note:
If you want to add more than one Oil Database or want to share your database with other users within your com-
pany, please contact your VMG representative to guide you step by step in performing these tasks.
References
[1] Environmental Technology Centre (2014). Retrieved February 12, 2014 from http://www.etc-
cte.ec.gc.ca/databases/OilProperties/Default.aspx
Oil Source Examples

Example 1 - Distillation Curve
This example will go through the creation of an Oil Source unit operation based on one of those used in the
Naphtha Cracking Furnace example (Plant Examples\Alternative Energy and Fuels\SS-Naph-
thaCrackingFurnace.vmp).
The PIONA Slate built in the PIONA Slate Example section will be reused in this example. The following table
shows the experimental data given for a Naphtha feed:
Property Value
Bulk H/C Ratio (Mole) 2.255
Bulk Density @ 60 F [kg/m3] 679.0
‘P’araffin (Mass) [%] 44.374
‘I’so-Paraffin (Mass) [%] 39.726
‘O’lefin (Mass) [%] 0.000
‘N’aphthene (Mass) [%] 12.200
‘A’romatic (Mass) [%] 3.700
TBP Curve (0% Volume) [C] 38.0
Temperature [C] 60.0
Pressure [atm] 1.0
Mass Flow [kg/h] 100.0
Start from the last part of the PIONA Slate example and add an Oil Regression unit operation to the flowsheet.
Since the H/C Ratio is given in mole, first go to the Options frame and change the basis of the H/C Ratio to
Mole:
Now, add all the experimental variables from the previous table to the Oil Source unit operation.
Observe that the calculated and specified physical properties are not too different; however, the distillation
curve and distribution results are different than the specified ones as it can be seen in the Distillation Curve and
Distillation Tabs. In the Distillation Curve tab enter 4.51 in the EBP box from the Adjusting Factors frame to bet-
ter match the distillation curve.
Now, click on the Regress Parameters button to get the best combination of slate pseudo components com-
positions that gives the best match between experimental and distillation data. Once the regression finishes
look at the calculated physical properties as well as the distillation curve.
Observe the close agreement between calculated and experimental results for both physical properties and dis-
tillation data.
mentation\Manual Examples\Oil Data Regressions\Oil Source\PIONAOilSourceExample.vmp
Example 2 - Carbon Number Analysis

The following example will go through the addition of a Cn Analysis in the Oil Source, the Cn Analysis used in
this example comes in three different basis, as a way to illustrate the Oil Source capabilities, the analysis will be
entered in the three bases and properties will be regressed to show that identical results can be expected.
The following is a typical Cn Analysis for light to medium oil:
Start by selecting Advanced Peng-Robinson as the Property Package and SI as the Unit System, and then add
the pure components from the Cn Analysis. Observe that Water is part of the added compounds but it does not
participate in the Cn Analysis, it was added just to illustrate that Water can be part of the flowsheet compounds
but it is not used in the Cn Analysis. Open the PIONA Slate characterization and create a PIONA slate based
on the following parameters, these parameters were chosen in order to guarantee a good resolution in each car-
bon number group based on the Cn Analysis.
Note that the Olefins and Dehydrated Aromatics groups were eliminated from the slate because these groups
are not typical of an oil feed, they can be added to the slate (and they will have zero composition) but just for the
sake of the example they have been eliminated.
Now, open an Oil Source unit operation, check the Cn Analysis box from the Curves frame and enter the Cn
Analysis in Mass basis from the previous table:
Go to the Settings tab and uncheck the O box from the PIONA Family Inclusion frame since olefins will not par-
ticipate in the calculation:
At this moment the composition slate has been calculated based on the default Gamma distribution and split
parameters from the Settings tab, it can be seen that the pure components mass fraction have been honored in
the slate
Go to the Summary tab and add the bulk physical properties of the analysis (molecular weight and liquid density
at 60 F) in the Bulk Experimental variable frame:
Now the parameters of the Oil Source unit operation can be regressed to match the experimental variables,
before that go to the Settings tab and change the Regression tolerance to 0.001 in order to have a better match
of the properties:
Click the Regress Parameters button and observe the results:
It can be seen that the bulk molecular weight and liquid density at 60 F match perfectly. Now, open two more Oil
Sources and add the Cn Analysis in mole and volume basis in each one and repeat the previous steps.
In order to compare the slates from the three Oil Sources with different Cn Analysis basis, a TBP distillation
curve can be calculated for each one and they can be compared. The following figure shows the resulting
TBP’s from each Oil Source, the TBP's are calculated using the Distillation Curve unit operation.
Observe the overlapping of the TBP’s meaning that the three Oil Sources produced very similar slates for the
same Cn Analysis in different basis, the differences are due to the interconversion between mole and mass and
volume and mass basis.
mentation\Manual Examples\Oil Data Regressions\Oil Source\PIONAOilSourceCnAnalysisExample.vmp
Example 3 - Deasphalting
This example will go through the necessary steps for creating an Oil Source unit operation capable of modeling
the asphaltene precipitation of bitumen using different solvent at different operating conditions.
The objective of this example is to fit experimental asphaltene precipitation from Athabasca bitumen diluted with
n-heptane and n-hexane. These experimental data were obtained from Akbarzadeh et al. (2005) (Akbarzadeh,
K.; Alboudwarej, H.; Svrcek, W.Y.; Yarranton, H.W. A generalized regular solution model for asphaltene pre-
cipitation from n-alkane diluted heavy oils and bitumens. Fluid Phase Equilibrium, 232, 1–2, 159–170).
The following table shows the SARA Analysis that represent Athabasca Bitumen:
The asphaltene precipitation can be better modeled using the SARA Regular Solution property package.
Start this case by selecting SARA Regular Solution as the Property Package and SI as the Unit System, and
then go to the PIONA Slate environment to define the characterization.
In the PIONA Slate form enter the following values. Note that the Asphaltene Precipitation box is checked in
order to create an extended list of dehydrated aromatic components which will represent the Resin and
Asphaltene components. The Asph. Precip. Settings box inside the Slate Range Settings is also checked to
allow a fair number of resin and asphaltene components to be created.
For this example two pure components will be used as the bitumen solvents: n-Hexane and n-Heptane. The
solvents must be also added to the list of components inside the property package:
Once the PIONA Slate has been defined go to the flowsheeting environment and add an Oil Source unit oper-
ation, open the unit operation and select Deasphalting as the Application type, note that the Asphaltene Pre-
cipitation tab will be available once the selection is done:
Go to the Asphaltene Precipitation Tab and add the SARA Analysis of the Athabasca bitumen, be sure that the
SARA Distribution basis is Mass:
The following step is to add the asphaltene yield data, Akbarzadeh et al. (2005) published the following data for
the asphaltene precipitation from Athabasca bitumen diluted with n-hexane and n-heptane:
To add these data, check the Asphaltene Precipitation Data box and type 2 as the number of available exper-
iments. Add the temperature, pressure, solvent and asphaltene yield data for the Athabasca bitumen diluted
with n-heptane in the Experiment_1 frame:
Do the same for the Athabasca bitumen diluted with n-hexane in the Experiment_2 frame:
Take a look to the Asph. Precip. Curve tab, this tab shows a plot comparing the calculated an experimental
data, it can be noted that the calculated data is far from the expected experimental results; therefore, it is neces-
sary to regress the parameters of the Oil Source unit operation to match the results.
Before doing the regression calculations and in order to guarantee a good agreement in the results let's change
the regression tolerance in the Settings tab to 1.00E-04:
Now click on the Regress Parameters button to start the regression process and wait until the calculations are
done. Once the process is finished take a look again to the Asph. Precip. Curve tab. It can be seen now the cal-
culated and experimental results are very similar as it can be seen in the following figures:
The results can be validated if we take for example the first experimental point for the asphaltene yield of
Athabasca bitumen with n-heptane. If we mix 1 kg/h of the Oil Source with another stream containing only n-
heptane with a flow of 1.368 kg/h, we will see that the mixed stream contains the same amount of precipitated
asphaltene as calculated in the Oil Source, the amount of asphaltene precipitated can be seen in the Equi-
librium Results of the mixed stream, the mass flow of the Liq1 (heavy liquid / asphaltene) will contain this value.
mentation\Manual Examples\Oil Data Regressions\Oil Source\PIONAOilSourceAsphPrecipExample.vmp
Example 4 - Wax Precipitation

The following example will go through the creation of a simulation case to validate VMGSim’s wax precipitation
model using the data from Daridon et al (2001) (Daridon, J.L., Pauly, J., Coutinho, J.A.P., Montel, F., "Solid-
Liquid-Vapor Phase Boundary of a North Sea Waxy Crude: Measurement and Modeling," Energy & Fuels, vol.
15, pp. 730-735, 2001). The fluid of interest in this case is a condensate gas (CGA) coming from wells from a
North Sea field. The composition, determined by gas chromatography, and properties of the fluids are shown in
the next Table.
Examination of the gas condensate compositions reveals that the fluid is formed of more than 87 mol% of light
components (N2, CO2, and hydrocarbons up to C4) whereas the C11+ fraction represents less than 5 mol% of
the fluids. This quantity of heavy component, of which one-third is n-paraffins, is not negligible in comparison to
the medium molecular components (C5 to C8) which act as a solvent for the waxes. Exploitation of such fluid
therefore requires particular care, because when gas-phase separation occurs and flashes off the liquid, the
proportion of n-paraffins in condensate may become significant and a wax phase may appear.
The Wax Appearance Temperatures (WAT) of the fluids were measured directly by visualization of the wax
crystal appearance using an all-around visibility setup.
Daridon et al. (2001) also presented the vapor-liquid equilibrium (VLE) of the system, the data was obtained
through a PVT analysis apparatus.
The selected property package employed to simulate example was Advanced Peng-Robinson and the unit sys-
tem was VMG, in order to take advantage of the improved vapor liquid equilibrium predictions, the new hydro-
carbon group contribution based interaction parameters for the Advanced Peng Robinson equation of state
were used (Version 2.0). This new set of interaction parameters can be selected from the Settings tab inside
the Thermo form.
To characterize the fluid, the following pure components were added to a VMGSim case: N2, CO2, C1, C2, C3,
iC4, C4, iC5 and C5; then, a PIONA slate was built based on the properties shown in the next figure.
To characterize this fluid an Oil Source unit operation was added to the case and the Carbon Number analysis,
the C11+ molecular weight and one saturation point from the previous tables were used as the experimental val-
ues. The saturation point is necessary in order to have a good representation of the system’s VLE.
Note that the n-paraffin distribution from C6 to C10 is missing in Table 2, so these values are kept empty, only
the C11+ n-paraffin content is added.
Once the experimental variables are entered, the Oil Source unit operation is run, the data is regressed and the
results from the following figure are obtained.
To calculate the WAT, check the Wax Precipitation box from the Summary tab, this will open the Wax tab.
In the Wax tab, check the Wax Appearance Temperature (WAT) box from the Wax Precipitation Calculations
frame, this will enable the WAT frame where the Wax Phase Frac Criterion and the Pressure must be entered.
The default value for the Wax Phase Frac Criterion is 1.0 E-04. To obtain the WAT value the pressure of
interest must be specified, for this example 38000 kPa (38 MPa) was used.
As it can be seen, in the previous figure the calculated WAT for this fluid at 38,000 kPa is 292.2 K this is around
7 K higher than the experimental value of 285.55 K. Since the experimental procedure to obtain the WAT is
based on a visualization scheme we don’t know from the experimental data what was the actual phase fraction
used in the experiment. Therefore, we can vary this phase fraction to see if we obtain a closer value. A quick
inspection showed that 2.2 E-04 produces a WAT of 285.4 K, essentially identical to the measured WAT.
To compare the rest of the WAT values from the experimental data, a Case Study based on the pressure and
WAT values from the Oil Source unit operation was done. The results are shown in the next figure and the com-
parison between experimental and calculated data are shown in table below.
The previous table shows the close agreement between experimental and calculated results. The average
absolute error was 0.17% with a maximum deviation of 1.81 K. The Vapor - Liquid equilibrium was also
matched due to the fact of adding an experimental saturation point to the oil characterization, if this is not done
the VLE behavior would be different and this would have affected the WAT calculations. This can be seen in the
next figure where the results were plotted along with the experimental values, the figure also includes the vapor
liquid saturation line obtained from an Envelope unit operation connected to the Oil Source.
The Wax envelope can also be obtained from the Oil Source unit operation as well as the Wax Precipitation
Curve. To access these calculations check the Wax Envelope and Wax Precipitation Curve boxes from the
Wax Precipitation Calculations frame.
As demonstrated in the previous example VMGSim’s results were essentially the same than experimental data
when the right wax phase fraction criteria was used. The importance of the onset was phase fraction has been
discussed above, the right value of this property can produce accurate “out of the box” results in VMGSim
without the need of tuning the wax model. A detailed characterization of the fluid and the right value of the wax
phase criteria are the necessary requirements to produce accurate “out of the box” results in VMGSim.
mentation\Manual Examples\Oil Data Regressions\Oil Source\PIONAOilSourceWaxPrecipExample.vmp
Oil Analysis
Oil Analysis
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Information Operations\OilAnalysis.vmp
General
This unit operation is able to produce Crude Oil analyses, similar to those reported in analytical laboratories, for
any attached Material Stream that contains a hydrocarbon stream. This unit operation can also report the phys-
ical properties of the whole hydrocarbon stream as well as for its fractions. The cut fractions can be defined by
the user and are global to the VMGSim case, these cuts are the same variables used in the Product Distribution
tab from the Distillation Curve unit operation.
The values of the In or Out material ports (inlet or outlet) will not be changed by the Oil Analysis unit operation; it
only uses the available information to calculate the desired compositional analysis and then passes the inform-
ation to the appropriate port.
Summary Tab
In this tab the user can customize the number, name and end temperature of the cut ranges.
Cut Settings
Cuts
The Number of Cut Ranges can be set here. At least 2 cuts must be defined.
IBP
The initial boiling point of the analyzed crude oil, it corresponds to the boiling point of the lightest component in
the Oil Analysis.
EBP
The end boiling point of the analyzed crude oil, it corresponds to the boiling point of the heaviest component in
the Oil Analysis.
Cut Ranges
The Cut ranges name and end temperature can be modified here. For the first cut the initial temperature is the
Initial Boiling Point (IBP) and, the end temperature of the last cut is the End Boiling Point (EBP). The End Tem-
perature of the last Cut will be automatically set to the EBP of the crude oil.
modynamic case, meaning that the same cuts are used if two or more Oil Analysis are added to a property pack-
age these cuts are also shared with the Product Distribution cuts from the Distillation Curve unit operation.
Naphtha: 200 – 380 °F
Diesel: 545 – 670 °F
GasOil: 670 – 950 °F
Material
observed.
Oil Analysis Tab

This tab contains a table that encapsulates all the physical properties and curves that have been calculated for
the whole crude and its fractions. The reported properties and curves can be customized in the Settings tab.
Dist. Curve Settings

Here the oil of interest can be named and the distillation curves to be shown in the oil analysis can be selected.
The list of Distillation curves includes:
TPB
D86
D2887
EFV
D1160
D1160 Vacuum
TBP, D86, D2887, EFV, D1160 and D1160 Vacuum Distillation Curves
This frames allows the user to select the Basis (Mass, Mole, Volume) of the selected distillation curve as well as
to specify the number of points and distillation percents to be calculated for the curve.
Analysis Settings
Here the oil of interest can be named and the desired properties to be shown in the oil analysis can be selected.
The list of properties includes:
Light Ends
Carbon Number "Plus" (Cn+) Fraction
Refinery Properties
Component Contents
Density Curve
Viscosity Curve
Kinematic Viscosity Curve
Cn+ Fraction
This frame is used to customize the number of Cn+ Fractions to be calculated and the basis at which these frac-
tions will be computed.
Refinery Properties
In this frame the desired Refinery properties to be shown in the analysis are selected, the list includes:
Flash Point
Pour Point
Carbon Residue
Research Octane Number (RON)
Motor Octane Number (MON)
Cetane Number
Bromine Number
Aniline Point
Smoke Point
Net Heating Value (NHV)
Gross Heating Value (GHV)
NHV Mass based
GHV Mass based
Refractive Index
RVP (D323), with the option to use Air Saturation as specified in ASTM D323
Component Content
In this frame the desired Component Contents and its basis (Mass or Mole) to be shown in the analysis are
selected, the list includes:
H/C Ratio
Hydrogen
Carbon
Sulfur
Nitrogen
Vanadium
Nickel
Iron
Mercaptan
Hydrogen Sulfide
Benzene
Toluene
Ethylbenzene
Xylenes
Density, Viscosity and Kin. Viscosity Curves

This frame is used to customize the number of points and the temperatures at which these physical properties
will be calculated, the properties are calculated at the requested temperature and 1 atm.
Plots
This tab contains curve plots and physical properties histograms based on the calculated values from the Oil
Analysis tab.
Curves
This frame contains a list of distillation curve types and physical properties curves (Property vs T), that can be
selected from a drop down box.
Properties
This frame contains a list of histograms that can be selected from a drop down box, these plot bars show how
the property value changes with respect the different cuts of the oil.
Plot Window
Plot control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Warnings
This tab shows a table that enlist problem found during the calculation of the physical properties of the Oil Ana-
lysis, common errors include:
- Cuts that are too narrow or include less than 4 components, in this case distillation curves cannot be cal-
culated
- Properties calculated for some cuts that are outside the validity range of the estimation method
- Empty cuts
- Properties requested for cuts outside the range of the property definition, for instance requesting Octane or
Cetane number for heavy cuts

Notes Tab
Oil Analysis Example

In this example an Oil Analysis will be calculated from a Crude Oil characterized based on its TBP curve.
Start by selecting Advanced Peng-Robinson as the Property Package, then add the some pure components
(Methane, Ethane, Propane, iso-Butane, n-Butane, iso-Pentane and n-Pentane). In order to take advantage of
the improved vapor liquid equilibrium predictions from VMGSim, the new hydrocarbon group contribution
based interaction parameters for the Advanced Peng Robinson equation of state were used (Version 2.0), this
can be set in the Thermo form:
Open the PIONA Slate characterization and create a PIONA slate based on the following parameters.
Now, open an Oil Source unit operation, set the following conditions: T = 60 F, P = 14.7 psia and Mole Flow = 1
lbmol/h. Then, check the Distillation Curve box from the Laboratory Analysis frame and enter the following
TBP Distillation Curve in Volume basis:
Observe the accurate match between the calculated ans experimental values from the distillation curve, note
that no regressions were needed for this match. Now, an Oil Analysis unit operation is added to the property
package and it is connected to the Oil Source unit operation by means of a Material Stream.
Open the Oil Analysis unit operation and go to the Oil Analysis tab:
Observe that for some of the default the cuts are too narrow to get the properties and curves, thus they have to
be modified to suit this specific oil.
In the Summary tab change the number of cuts, cut names and end temperatures based on the following figure.
Now return to the Oil Analysis tab and observe that all the requested curves and most of the physical properties
were calculated.
Got to the Plots tab and observe the curves and histograms calculated for the reported properties from the
Oil Analysis.
The Log tab shows a report of the problems encountered while calculating some properties, in this case some
Octane number were not calculated because the cut definition is outside the validity range of the Octane num-
ber estimation method.
mentation\Manual Examples\Flowsheet Tools\Information Operations\OilAnalysis.vmp
PVT Analysis
Volumetric and Phase Behavior of Oil and Gas Systems
Introduction
Petroleum reservoir fluids are naturally occurring mixtures of gas and oil that exist at elevated pressures and
temperatures. Reservoir fluid compositions typically include hundreds or thousands of hydrocarbons and a few
non-hydrocarbons, like nitrogen, carbon dioxide and hydrogen sulfide [1]. The physical properties of these mix-
tures depend primarily on composition, temperature and pressure conditions. Reservoir temperature can usu-
ally be assumed to be constant in a given reservoir; as oil and gas are produced, reservoir pressure decreases
and the remaining hydrocarbon mixture changes in composition, volumetric properties and phase behavior.
Reservoir Fluid Composition and Characterization

The nature and composition of a reservoir fluid depends on the depositional environment of the formation from
which the fluid is produced. Crude oil and natural gas are composed of many compounds with a wide range of
molecular weights. Some estimates suggest that perhaps 3,000 organic compounds exist in a single reservoir
fluid [1]. The lighter and simpler compounds are produced as natural gas after surface separation, whereas the
heavier and more complex compounds are obtained from crude oil at stock tank conditions.
Figure 1 gives an example of oilfield compositions for a reservoir mixture. Observe that the heavier components
are lumped into a “plus” fraction instead of being identified individually.
Figure 1 Hydrocarbon analysis from a reservoir sample [2]

The petroleum fractions lumped together and labeled as the “plus” fraction are known as undefined petroleum
fractions. Nearly all naturally occurring hydrocarbon systems contain a quantity of undefined fractions, and
methods for characterizing them are essential. VMGSimcan characterize these undefined fractions in different
ways using the Oil Characterization environment or the recent integrated PIONA Characterization.
Phase Behavior of Petroleum Fluids

Typically it is recognized that here are five types of reservoir fluids. They are usually called: black oils, volatile
oils, retrograde gases, wet gases and dry gases [2]. The five types of reservoir fluids have been defined
because each one requires different approaches by reservoir and production engineers. The fluid type is the
determining factor in many of the decisions that have to be made regarding the reservoir.
Black Oils
Black oils consist on a wide variety of chemical species including large, heavy, non-volatile molecules. The
phase diagram certainly covers a wide temperature range and the critical point is well up the slope of the phase
envelope.
Figure 2 Phase diagram of a typical black oil [2]

The typical phase diagram of a black oil is shown in Figure 2. The vertical line 1-2-3 indicates the reduction in
pressure at constant temperature that simulates what occurs in the reservoir during production. If the reservoir
is at point 2, the oil is at the bubble point and is said to be saturated. A reduction of pressure will release gas to
form a free gas phase in the reservoir. Additional gas evolves from the oil as it moves from reservoir to sep-
arator (surface) conditions, and this cause shrinkage of the oil. However, separator conditions lie well within the
phase envelope and a relatively large amount of oil arrives to the surface.
The name black oil is misleading since the color of this fluid is not always black, sometimes is greenish or brown.
This type of reservoir is also called low-shrinkage crude oil or ordinary oil. Black oils usually have stock tank
gravities below 45 API and heptane plus compositions around 20 mole percent [2].
Volatile Oils
Volatile oils contain relatively fewer heavy molecules and more intermediates than black oils. The phase dia-
gram of a volatile oil is shown in Figure 3. The temperature range covered by the phase envelope is smaller and
the critical point is much lower than black oils and, in fact the critical point is close to the reservoir temperature.
Figure 3 Phase diagram of a typical volatile oil [2]

The vertical line 1-2-3 shows the path taken by the constant temperature reduction in pressure during pro-
duction. Notice that a small reduction in pressure below the bubble point causes a release of a large amount of
gas. A volatile oil may become as much as 50 % gas in the reservoir at only a few hundred psi below the bubble
point pressure, hence the name of volatile oil.
Volatile oils can also be called high-shrinkage oils and near-critical oils. The dividing line between black and
volatile oils is arbitrary; the difference depends largely on the point at which the reservoir material balance equa-
tions begin to have intolerable inaccuracy. The stock tank gravity of volatile oils is about 40 API or higher, their
color is brown, orange or green. Laboratory determined compositions of volatile oils will have 12.5 to 20 mole
percent of heptane plus fractions [2].
Retrograde Gases
The phase diagram of a retrograde gas is smaller than that for oils, and the critical point is further down the left
side of the envelope. The phase diagram has a critical temperature lower than reservoir temperature and a
cricondetherm higher than reservoir temperature as seen in Figure 4.Initially the fluid is gas at point 1, as reser-
voir pressure decreases the fluid reaches its dew point, when pressure is further reduced, liquid condensates
from the gas to form a free liquid in the reservoir. This liquid will normally not flow and cannot be produced.
Figure 4 Phase diagram of a typical retrograde gas [2]

The reservoir pressure path in Figure 4 indicates that at some low pressure the liquid begins to re-vaporize.
This occurs in the laboratory; however, it probably does not occur to much extent in the reservoir because dur-
ing production the overall composition of the fluid changes.
Stock tank liquid gravities of volatile oils are between 40 and 60 API, the liquid can be lightly colored, brown,
orange, greenish or water-white [2].
Wet Gases
The entire phase diagram of a wet gas will be bellow reservoir temperature as seen in Figure 5. A wet gas
solely exists as gas in the reservoir throughout the reduction in reservoir pressure. The pressure path 1-2 does
not enter the phase envelope. Thus, no liquid is formed in the reservoir. However, separator conditions lie
within the phase envelope causing some liquid to be formed at surface [2].
Figure 5 Phase diagram of a typical wet gas [2]
Dry Gases
Dry gas is primarily methane with some intermediates. Figure 6 shows that the hydrocarbon mixture is solely
gas in the reservoir and that normal surface conditions fall outside the phase envelope; thus, no liquid is formed
either in the reservoir or surface [2].
Figure 6 Phase diagram of a typical dry gas [2]
PVT Experiments
The standard experiments performed by PVT laboratories on reservoir fluids are: constant mass expansion
(CME), constant volume depletion (CVD), differential liberation (DL), multistage separation (Sep), volumetric
studies (Vol), viscosity measurements (Vis) and swelling tests (Swe)[1].
Constant Mass Expansion (CME)

This experiment is sketched in Figure 7 for a gas condensate mixture, but it can also be performed in oil mix-
tures as shown in Figure 8. A sample of the reservoir fluid is placed in a laboratory cell. Pressure is adjusted to a
value equal to or greater than initial reservoir pressure. Temperature is set at reservoir temperature and then
pressure is reduced by raising the volume in increments [2].
Figure 7 Schematic of a CME experiment for a gas condensate [3]
Figure 8 Schematic of a CME experiment for an oil mixture [2]

The cell is agitated regularly to ensure that the contents are at equilibrium. No reservoir gas or liquid is removed
from the cell. At each step, pressure and volume of the reservoir fluid are measured. The volume is called total
volume since at pressures below the bubble or dew point both gas and liquid exist.
This procedure is also called flash vaporization, flash liberation, pressure-volume relations, constant com-
position expansion or flash expansion. This experiment gives information about the saturation pressure at the
reservoir temperature and about the relative volumetric amounts of gas and oil in the reservoir at various stages
of the lifetime of the reservoir.
Constant Volume Depletion (CVD)

This experiment is sketched in Figure 9, as with the constant mass expansion experiment, a fixed amount of
reservoir fluid (gas condensate or volatile oil) is transferred to a cell kept at a fixed temperature (reservoir tem-
perature). The cell is built in the same manner as in the constant mass expansion experiment, but it has a valve
in the top allowing depletion of gas during the experiment. The experiment is started at the saturation point and
the volume is recorded. The volume is increased and two separate phases are formed, then gas is depleted
from the valve until the volume reaches the originally recorded saturation volume. The depleted gas is analyzed
at standard conditions and the process is repeated until the pressure is somewhere between 100 and 40 bar
[3].
Figure 9 Schematic of a CVD experiment [3]

This experiment is designed to gain knowledge about changes with time in PVT properties of the produced well
streams. The reservoir is seen as a tank of fixed volume and temperature. During production the pressure is
decreased because material is removed from the field, while the volume and temperature remain almost con-
stant.
Differential Liberation (DL)

This experiment is only carried out for oil mixtures. The sample of reservoir liquid in the laboratory cell is brought
to bubble point pressure, and temperature is set at reservoir temperature. Pressure is reduced by increasing
the cell volume, and the cell is agitated to ensure equilibrium between gas and liquid. Then, all the gas is
expelled from the cell while pressure in the cell is held constant by reducing the cell volume [3].
The gas is collected and its quantity and specific gravity are measured. The volume of liquid remaining in the cell
is also measured. The process is shown in Figure 10 and is also called differential vaporization, or differential
expansion.
Figure 10 Schematic of a DL experiment [2]

The process is repeated until atmospheric pressure is reached, temperature is reduced to standard tem-
perature and the remaining volume is measured, the oil remaining in the cell is known as residual oil.
Separator Test (Sep)

This test involves placing the reservoir fluid (oil or gas condensate) at its saturation pressure and reservoir tem-
perature in a PVT cell. The fluid then is displaced and flashed through a laboratory multistage separator sys-
tem, commonly one to three stages.
The first separator is at a pressure and temperature below the reservoir’s pressure and temperature where the
mixture separates in gas and liquid phase [3]. The gas is let out of the separator and the liquid is sent to a
second separator at a lower pressure and temperature, where more gas and liquid are separated; this is
repeated for the remaining stages. The liquid from the last separator is transferred to standard conditions and is
called stock tank oil. The schematic of this experiment is shown in Figure 11.
Figure 11 Schematic of a two-stage SEP experiment [3]

The separator test is usually repeated for various values of initial separator pressures. There may be cir-
cumstances for a particular field which dictate a specific initial separator pressure. If not, the separator initial
pressure which produces the maximum amount of stock tank liquid is selected. This pressure is known as
optimum separator pressure, it is identified as the pressure which gives a minimum in the oil formation volume
factor (at bubble point conditions), a maximum in stock tank gravity and a minimum gas to oil ratio.
In addition, the results of the test, when appropriately combined with the differential liberation test data, provide
a means of obtaining adjusted PVT parameters (oil formation factor, gas to oil ratio and total formation factor)
required for petroleum engineering calculations [4].
Volumetric (Vol)
This experiment gives information about the isothermal compressibility of the fluid at different pressures and
reservoir temperature using the constant mass expansion data above the bubble point; it also reports the fluid
thermal expansion between two temperatures at a fixed pressure [2].
Viscosity (Vis)
Oil Viscosity is measured in a rolling-ball or a capillary viscometer, either designed to simulate differential lib-
eration experiments. Measurements are made at several values of pressure in a stepwise process [2]. The
liquid used in each measurement is the liquid remaining after gas has been removed at that pressure.
Measurement of gas viscosity is very tedious. Obtaining accurate measurements in a routine basis is difficult
Thus, gas viscosities are estimated from correlations using the gas specific gravities measured in the differential
liberation experiment[2].
Swelling Test (Swe)

A swelling test starts with a reservoir fluid at its saturation pressure in a PVT cell kept at the reservoir tem-
perature. A known amount of injection gas is transferred in the PVT cell. The pressure is increased, maintaining
a constant temperature until all the gas has dissolved. When the last bubble of gas disappears, the new cell mix-
ture (oil + injected gas) is at its saturation point. The pressure and the swollen volume are recorded. More gas is
injected, and the pressure is increased until all gas is in solution in the oil. The process is repeated for a number
of stages.
A swelling experiment is carried out to investigate how a reservoir fluid will react to gas injection. To the extant
the gas dissolves in the fluid, the fluid volume will increase (the fluid will swell) and the saturation point of the
fluid will increase. The increase in volume and saturation pressure are key factor in determining whether gas
injection will result in enhanced recovery [3].
The experiment primarily gives information on the volume increase (swelling behavior) as a result of a particular
gas dissolving in the oil and how large a pressure is needed to dissolve the injected gas. The swelling gas/oil
ratio is defined as the cumulative volume of the injection gas at standard conditions per initial oil volume and dif-
fers from other definitions of gas/oil ratio.
Simulation of Laboratory PVT Data

Accurate data for the phase behavior of oil and gas mixtures is necessary in determining reserves and eval-
uating field separation methods. Generally, some experimental PVT data is available for some reservoir fluids,
but not many measurements are carried out for a given mixture since it is expensive to investigate exper-
imentally the full range of phase behavior that can occur during a recovery process.
In the absence of PVT laboratory data, predictions of the reservoir fluid behavior can be obtained by using a
well-established equation of state to compute the phase behavior and a correct representation of the com-
position of the reservoir fluid [4]. Therefore, reservoir engineers must rely on thermodynamic models and char-
acterization schemes to calculate the missing data.
References
[1] Whitson, C. H. and Brule, M. R. Phase Behavior. Richardson, TX: Society of Petroleum Engineers, 2000
[2] MacCain Jr., W. D. The Properties of Petroleum Fluids 2nd Ed. Tulsa, OK: PenWell Publishing Company,
1989
[3] Pedersen, K. S. and Christensen P. L. Phase Behavior of Petroleum Reservoir Fluids, CRC Press, 2007
[4] Ahmed, T. Equations of State and PVT Analysis, Gulf Publishing Company, 2007
PVT Analysis in VMGSim

Reservoir Fluid Characterization
As mentioned before, one of the requirements to achieve a successful simulation of a PVT Analysis is the reser-
voir fluid characterization. The usual reservoir fluid compositional analysis gives compositions of light hydro-
carbons from methane to hexane; the remaining components are lumped in a “plus” fraction, which apparent
MW and specific gravity usually come from correlations. The characterization of any type of reservoir fluid can
be carried out in VMGSim using one of the following options:
A flexible characterization technique has been developed by VMG and implemented in the Oil Environment of
VMGSim to improve the modeling of molar distributions of components which form the “plus” fraction. Com-
positional analysis of naturally occurring hydrocarbon mixtures suggests an exponential distribution for some
systems, usually condensates and volatile oils. Other systems, particularly, black oils, may show a left skewed
distribution. Thus, this model was elaborated in order to describe both characteristics. This characterization
option can be accessed in VMGSim by selecting the Cn Compositional Analysis radio button in the Oil Char-
acterization environment (See the Cn Compositional Analysis section of this manual).
PIONA Characterization
The PIONA Characterization technique can also be used to characterize components that represent the
“plus” fraction of a reservoir fluid. Through combinations of the components from PIONA slates, an analysis can
be matched in a way similar to that of pseudo-components developed through standard oil characterization.
The key advantage of the PIONA characterization is the capture of the essential chemistry of the compositional
analysis, this technique is flexible enough to encode in the PIONA slate compounds known chemical char-
acteristics of the analysis ranging from simple properties such as molecular weight and density to vapor pres-
sure data.
This option is suitable when different reservoir fluids are to be characterized and analyzed within the same flow-
sheet since the same set of PIONA pseudo components can be used to represent any fluid, as opposed to cre-
ate a reservoir fluid assay for each fluid as in the Oil Characterization option (see the Oil Source section of this
manual).
PVT Analysis Unit Operation

Main Flow sheet
PFD Stencil
Examples PVT Analysis\PVT Analysis Example 1.vmp

PVT Analysis\PVT Analysis Example 2.vmp
PVT Analysis\PVT Analysis Example 3.vmp
General
Reservoir PVT Calculations are mostly volumetric balances that can be obtained using a stepwise com-
putational procedure using an equation of sate. Equations of state have found widespread acceptance as tools
that permit the convenient and flexible calculation of complex phase behavior of reservoir fluids. Some of these
applications include the determination of equilibrium ratios, dew point, bubble point and vapor pressures, and
PVT properties. For hydrocarbon systems, a good default selection of an equation of sate is VMGSim
Advanced Peng-Robinson (APR).
Reservoir engineers often refer to the solubility of natural gas in crude oil as if dealing with a two-component sys-
tem: “Oil” (liquid phase) and “Gas” (vapor phase), both are in fact multi-component mixtures, with mass transfer
governed by vapor-liquid equilibrium. In the following sections the terms “oil” and “liquid”, and “gas” and “vapor”
will be used interchangeably.
To use this unit operation the following steps have to be followed:
1) Set up the thermodynamic model based on a cubic equation of state (APR is a good default for hydrocarbon
systems).
2) Characterize the reservoir fluid. The reservoir can be characterized by means of the Oil Characterization
environment or PIONA Slates in the Oil Source unit operation.
3) Add a PVT Analysis unit operation to the flowsheet and connect it to a Material Stream containing the reser-
voir fluid.
4) Perform the PVT calculations; there are six PVT Experiments available in this calculator:
i. Constant Mass Expansion (CME)
ii. Constant Volume Depletion (CVD)
iii. Differential Liberation (DL)
iv. Separator Test (Sep)
v. Volumetric (Vol)
vi. Viscosity (Vis)
vii. Swelling (Swe)
For each experiment the reservoir and standard conditions (Pressure, Temperature and Z Factor) have to be
given as well as the pressure and temperature data. All reservoir calculations are made assuming vapor-liquid
phases. If the Differential Liberation ad Separator experiments are calculated, then Differential Liberation res-
ults can be adjusted to Separator data by checking the Adjust PVT Parameters box.
Note: In some PVT experiments, depending on the author or laboratory, the same property name is used to rep-
resent different things, whereas different names represent the same property.
The values of the In or Out material ports (inlet or outlet) will not be changed by the PVT Analysis unit operation;
it only uses the available information to calculate the desired PVT experiments and then passes the information
to the appropriate port.
Fluid Identification
The reservoir fluids used in the PVT calculator are automatically identified before the calculations for the exper-
iment are performed; this is done to avoid the calculation of experiments that are not recommended for certain
types of fluids. The reservoir fluids are classified as Oils or Gas Condensates. Oil means that the saturation
pressure of the fluid (black and volatile oils) at the reservoir temperature is at its bubble point and, Gas
Condensate means that the fluid has a retrograde behavior, thus the highest dew point is reported as the sat-
urated pressure.
The message box of the stream will show the following messages once the calculation has identified the reser-
voir fluid type.
Summary Tab
Active Experiments
A set of checkboxes to select desired PVT Experiments. If the Differential Liberation and Separator exper-
iments are selected then the Adjust PVT Parameters box is enabled.
Reservoir / Standard Conditions

This frame is used to enter the reservoir temperature and standard conditions. The Standard conditions can be
added when the Differential Liberation and Separator experiments are selected. The default standard con-
ditions are 60 F, 14.7 psia and Ideal Gas Z factor.
CME - Constant Mass Expansion Tab

This experiment is designed to determine the bubble or dew pressure of a reservoir fluid and its change in over-
all volume with pressure.
Options
Number of Stages
The number of reservoir pressure stages used for the experiment.
Reservoir Properties
Temperature
This is the reservoir temperature set in the Summary tab.
Saturation Pressure
The saturation pressure at the given reservoir temperature.
Constant Mass Expansion Data

Relative Volume
Total Molar Volume at Stage Pressure / Saturated Molar Volume.
Total Molar Volume

Total molar volume of the oil and gas of the reservoir fluid at the Stage Pressure.
Liquid Volume
Oil Molar Volume at Stage Pressure / Saturated Volume.
Y Factor
(Saturation Pressure – Stage Pressure) / [Stage Pressure (Relative Volume– 1)].
Oil Density
Oil Density at Stage Pressure.
Gas Z Factor
Gas Z Factor at Stage Pressure.
Gas Fraction
Gas Mole Fraction at Stage Pressure.
View
Selects the experimental data to display in a plot vs. stage pressure.
Plot Window
CVD - Constant Volume Depletion Tab

This experiment is designed to gain knowledge about changes with time in PVT properties and composition of
the produced well streams. During this experiment the composition of the fluid varies with the pressure stages.
Options
Number of Stages
Incl. Depleted Gas Analysis

Enable a new tab (CVD Gas Analysis) that includes compositions and properties of the depleted gas through
the different pressure stages.
Temperature
Saturation Pressure
Constant Volume Depletion Data

Liquid Volume
Oil Molar Volume at Stage Pressure / Saturated Volume.
Cumulative Mole Percentage Depleted

Cumulative depleted gas molar percentage.
Two-Phase Z Factor
Average Z Factor of remaining gas and liquid in cell.
Gas-Phase Z Factor
Z Factor of depleted gas.
View
Plot Window
CVD Gas Analysis Tab

This tab includes compositions and properties of the depleted gas through the different pressure stages from
the CVD experiment.
Options
Cn+
Set the carbon number to lump "plus" fractions.

Natural Gas Liquid (NGL) Content calculation applies from Ethane (C2+) or Propane (C3+) to heavier hydro-
carbons based on this selection.
Gas Analysis
Pressure
Stage pressure
Molecular Weight
The molecular weight of the vapor phase at the stage pressure.
NHV
Net or Low Heating Value (NHV/LHV) in Standard Gas Volume basis of the vapor phase at the stage pressure.
GHV
Gross or High Heating Value (GHV/HHV) in Standard Gas Volume basis of the vapor phase at the stage pres-
sure.
NGL Content
Defined as Liquid Volume of recoverable Hydrocarbons (C2+/C3+) / Gas Volume of the vapor phase at the
stage pressure, as in Section 16 of GPSA Data Book 12th Edition. Also known as Liquid Content or GPM.
Cn+ properties
Properties of the "plus" fraction as defined in the Options frame.
Mole Fraction
Mole fraction per component of the vapor phase at the stage pressure.
Mass Fraction
Mass fraction per component of the vapor phase at the stage pressure.
Std Liq Vol Fraction

Std Liq Vol fraction per component of the vapor phase at the stage pressure.
DL - Differential Liberation Tab

This experiment is only carried out for oil mixtures. In this process, the solution gas liberated from an oil sample
during decline in pressure is continuously removed from contact with the oil, before establishing equilibrium with
the liquid phase. During this experiment the composition of the fluid varies with the pressure stages.
Options
Number of Stages
Incl. Liberated Gas Analysis

Enable a new tab (DL Gas Analysis) that includes compositions and properties of the liberated gas through the
different pressure stages.
Temperature
Saturation Pressure
Stock Tank Oil Density

Residual oil density at standard conditions.
Stock Tank Oil API Gravity

Residual oil API gravity at standard conditions.
Differential Liberation Data

Relative Total Volume
Total Molar Volume at Stage Pressure / Residual Oil Volume
Bo- Oil Formation Volume Factor

Oil Molar Volume at Stage Pressure / Residual Oil Volume
Bg - Gas Formation Volume Factor

Gas Molar Volume at Stage Pressure / Standard Gas Molar Volume at Stage Pressure
Gas Expansion Factor

1/ Bg
Rs - Solution Gas to Oil Ratio

Standard Molar Volume of Gas in Solution at Stage Pressure /Residual Oil Volume
Deviation Factor Z
Depleted Gas Z Factor / Gas Z Factor at Standard Conditions
Oil Density
Oil Density at Stage Pressure
Gas Z Factor
Liberated Gas Z Factor at Stage Pressure
Standard Gas Z Factor

Assumed ideal (Z = 1) or calculated from active property package
Gas SG
Liberated Gas MW / Air MW
View
Plot Window
DL Gas Analysis Tab

This tab includes compositions and properties of liberated gas through the different pressure stages from the
DL experiment.
Options
Cn+

Gas Analysis
Pressure
Stage pressure
Molecular Weight
NHV
GHV
sure.
NGL Content
Cn+ properties
Mole Fraction
Mass Fraction

Sep - Separator Tab

Separator tests are conducted to determine the changes in the volumetric behavior of the reservoir fluid as the
fluid passes through separators and then into a stock tank. During this experiment the composition of the fluid
varies with the pressure stages.
Options
Number of Stages
Incl. Separator Gas Analysis

Enable a new tab (Sep Gas Analysis) that includes compositions and properties of the gas through the different
separator stages.
Temperature
Saturation Pressure
Total Std Gas to Oil Ratio

The addition of the standard gas to oil ration from all the stages.
Saturated Oil Formation Volume Factor

The oil formation factor at the saturation pressure and reservoir temperature.
Stock Tank Oil Density

Residual oil density at standard conditions.
Stock Tank Oil API Gravity

Residual oil API gravity at standard conditions.
Separator Data
Bo - Oil Formation Volume Factor
Oil Molar Volume at Stage Pressure / Residual Oil Volume
Std Rs - Standard Gas to Oil Ratio

Cumulative Standard Volume of Gas of the Stage / Residual Oil Volume
Sep Rs - Separator Gas to Oil Ratio

Standard Volume of Gas Liberated of the Stage / Residual Oil Volume
Oil Density
Oil Density at Stage
Standard Gas Z Factor

Assumed ideal (Z = 1) or calculated from active property package
Gas SG
Stage Liberated Gas MW / Air MW
View
Plot Window
Sep Analysis Tab

This tab includes compositions and properties of liberated gas through the different pressure stages from the
DL experiment.
Options
Cn+

Gas Analysis
Pressure
Stage pressure
Molecular Weight
NHV
GHV
sure.
NGL Content
Cn+ properties
Mole Fraction
Mass Fraction

Vol - Volumetric Tab

These experiments give information about the isothermal compressibility and thermal expansion using the Con-
stant Mass Expansion data above the bubble point.
Options
Number of Stages
Incl. Thermal Expansion

Enable the Thermal Expansion calculation.
Temperature
Saturation Pressure
Saturated Density
The saturation density at the given reservoir temperature.
Thermal Expansion Value

If enabled calculated as:
Relative Vol. at Initial T / Relative Vol. at Final T, both evaluated at given pressure.
Isothermal Compressibility Data

Isothermal Compressibility
ln (Final Relative Vol. / Initial Relative Vol.) / (Initial P – Final P)
View
Selects the experimental data to display in a plot vs. initial pressure.
Plot Window
Vis - Viscosity Tab

Oil and Gas viscosity are calculated based on Differential Liberation experiments. In order to get the right
tendency of viscosity vs. pressure the use of the Expanded Fluid viscosity model is recommended
Options
Number of Stages
Temperature
Saturation Pressure
Viscosity Data
Oil Viscosity
Gas Viscosity
Oil/Gas Viscosity Ratio
View
Selects the experimental data to display in a plot vs. initial pressure.
Plot Window
Swe - Swelling Test Tab

This experiment is designed to investigate how a reservoir fluid reacts to gas injection. A known amount of injec-
tion gas is transferred to a cell where the pressure is increased until the gas is dissolved in the oil, and the pres-
sure and volume is recorded. The process is repeated for a number of stages.
Options
Number of Stages
The number of gas injection stages used for the experiment.
Cum. Gas Injected Basis

Defines the calculation basis (mole or mass) of the cumulative gas injected
Temperature
Saturation Pressure
Injection Gas Data

Injection Gas Basis
The basis definition (mole or mass) of the injection gas composition
Total Comp.
The total of the summation of the injection gas composition
Injection Gas Components

This radio button defines how the component slate of the injection gas is defined, either by Only Pure Com-
ponents or by the Complete List of components in the Thermo case.
Swelling Test Data

Saturation Pressure
Saturation Pressure after addition of gas
Swollen Volume / Initial Volume

Volume of oil-injection gas mixture at Saturation Point per Initial Volume of Oil
Density
Density of Swollen mixture at Saturation Point
View
Selects the experimental data to display in a plot vs. cumulative gas injected.
Plot Window
Adjust PVT Parameters Tab

To perform material balance calculations, the oil formation volume factor (Bo) and gas solubility (Rs) as a func-
tion of the reservoir pressure must be available. The ideal method of obtaining these data is to place a large
sample of reservoir fluid in a PVT cell at reservoir temperature and pressure-deplete it with a differential pro-
cess. At some pressure below the bubble point, a portion of the oil is removed from the cell and pumped
through separators to obtain Bo and Rs at the lower reservoir pressure. This procedure must be repeated at
progressively lower pressures until complete Bo and Rs curves are obtained. However, this procedure is rarely
done in the laboratory.
A method proposed by Amyx et al. (Petroleum Reservoir Engineering - Physical Properties, McGraw Hill,
1960) it is used to build Bo and Rs curves using the differential liberation data in conjunction with experimental
constant mass expansion data for a given set of separator conditions.
The PVT properties are corrected as follows:
Bo – Oil Formation Volume Factor

Above the bubble point:
Bo = Vrel * Bofb
where:
Vrel = Relative Oil Volume from Constant Mass Expansion experiment
Bofb = Saturated Oil Formation Volume Factor from Separator Test
Below the bubble point:
Bo = Bofb *Bod / Bodb
where:
Bod = Oil Formation Volume Factor from Differential Liberation experiment
Bodb = Oil Formation Volume Factor at bubble point pressure from Differential Liberation experiment
Rs – Gas Solubility (Gas to Oil Ratio)

Above the bubble point:
Rs = Rsfb
where:
Rsfb = Total Standard Gas to Oil Ratio from Separator test
Below the bubble point:
Rs = Rsfb – (Rsdb – Rsd) * Bofb / Bodb
where:
Rsdb: Gas to Oil ratio at the bubble point pressure from Differential Liberation experiment
Rsd = Gas to Oil ratio from Differential Liberation experiment
Bt – Total (two-phase) Formation Volume Factor

Bt = Btd * Bofb / Bodb
where:
Btd = Total Relative Volume Factor from Constant Mass Expansion experiments
Equilibrium Results
Notes Tab
Tuning PVT Analyses

There are different characterization parameters that can be tuned to match PVT experimental data. Usually the
molecular weight and standard liquid density of the “plus” fraction are the usual candidates to tune to match
PVT properties like the Saturation Pressure. The examples in the next section will address this topic.
PVT Analysis Examples

Example 1
The following example will be used to show how a black oil reservoir can be characterized using the PIONA
Characterization scheme. The Oil Source unit operation will be used to match the crude physical properties
and saturation pressure; then the crude will be connected to a PVT Analysis unit operation and its results will be
compared to experimental data. The experimental data for this example is taken from McCain [1].
To start, select the Advanced Peng-Robinson thermodynamic model as the active property package and
then select the Expanded Fluid method as the viscosity model in the Settings tab of the Thermo Model form.

Add the following pure components that are part of the crude oil analysis: Nitrogen, Carbon Dioxide, Methane,
Ethane, Propane, iso-Butane, n-Butane, iso-Pentane and n-Pentane.
Click on the PIONA Slate button at the bottom of the Thermo Model form to open the PIONA Char-
acterization environment and enter the following parameters:
Observe that the Olefin family was not selected since naturally occurring crude oils contains negligible quant-
ities of this family. Click on the Create Slate button to create and install the PIONA components. Now, go to the
flowsheet environment and add an Oil Source unit operation, set the following conditions: T = 60 F, P = 14.7
psia and Mole Flow = 1 lbmol/h and check the Carbon Number (Cn) Compositional Analysis box and
select Cn as the Analysis type.
Go to the Cn Analysis tab and enter the following analysis data (in Mass %) from McCain [1]:
In addition to the hydrocarbon analysis add the following crude physical properties in the Bulk Properties
frame:
MW = 93.66
Density @ 60 F (Std) = 70.17 API (43.76 lb/ft3)
Saturation P @ 220 F = 2634.7 psia
The Saturation temperature is added in the Bulk Properties Options frame:
Saturation T = 220 F
In the Settings tab set the following Regression parameters.
Click in the Regress Parameters button to find the best combination of PIONA components fractions that
match the regressed physical properties, repeat this procedure a couple of times. Once the regressions are
done, observe the close match between experimental and calculated values, specially the Saturation Pressure
PVT Analysis
Connect a Material Stream to the outlet of the Oil Source and then connect a PVT Analysis unit operation to
the stream.
Constant Mass Expansion (CME) Experiment

Open the unit operation, check the Constant Mass Expansion (CME) box in the Summary tab and add the
Reservoir Temperature (220 F). Go to the CME tab and add the following pressure values (first column, note
that the data is given psig but it was entered in psia) [1] for a Constant Mass Expansion analysis.
Compare the calculated Relative Volume and Y-Function values to the experimental data, the average abso-
lute error respect to the experimental data is only 0.11 and 1.21 % respectively, as seen in the next plots.
Differential Liberation (DL) Experiment

Now, add the Differential Liberation experiment by checking the Differential Liberation (DL) box from the
Summary tab and provide the Standard Conditions for the calculations. These conditions change from place
to place; therefore, a default of 60 F, 14.7 psi and Z = 1 was selected. The standard Z factor can be used as
ideal (Z= 1) or calculated from the property package.
The experimental Differential Liberation data [1] in the following table is reported at 60 F and 14.65 psia. Add
the 12 stage pressures reported in the following table to the PVT Data form.
Compare the calculated Relative Volume, Oil and Gas Formation Factors values to the experimental data,
the average absolute error respect to the experimental data is only 3.28, 2.18 and 3.69 % respectively, as seen
in the next plots.
Separator (SEP) Experiment

The following table [1] shows the experimental results of four one-stage Separator experiments, they are used
to find the separator pressure that produces the higher API gravity and lower gas to oil ratio and oil formation
volume factor.
The Separator experiment from the PVT Analysis unit operation can calculate one set of Separator exper-
iments at a time, to add the first set of separator conditions at 100 psig (114.7 psia) check the Separator (Sep)
box from the Summary tab and enter the separator condition from the previous table at 100 psig.
In order to get the results of the four sets of separator experiments in an efficient way, a Case Study can be
applied using the initial Separator Pressure as the independent variable and the Stock Tank density, Total Std
GOR and Saturated Oil Formation Volume Factor as the dependent variables. The Case Study can be
accessed from the Tool Menu and then selecting Case Study…
The following table show the results of the Case Study compared to the experimental separator data, observe
the close agreement between experimental and calculated results.
Separator Gas Analysis

The gas composition and properties at every Separator stage can also be calculated, the following table shows
the gas composition for the first stage of Separator Experiment at 100 psig
To obtain these values check the Incl. Separator Gas Analysis box from the Sep tab and observe the results
in the Sep Gas Analysis tab.
Note that different Cn+ values can be defined in the Option frame as well as a different definition for the NGL
Content.
The following plot and table compare the predicted and experimental gas compositions and physical properties
for the first stage of the Separator Experiment at 100 psig.
Viscosity
The viscosity of the oil and gas can also be calculated and investigated, the viscosity data [1] is provided in the
next figure.
To calculate the viscosities check the Viscosity (Vis) box in the Summary tab and add the different pressure
stages from the previous table and observe the results.
It is interesting to observe that the active viscosity model, the Expanded Fluid method, although it does not
match the liquid viscosities a priori, it is predicting the right tendency of viscosity vs. pressure, i.e. the viscosity
increases with pressure after the Saturation point. If the viscosity model is switched to the Default one it will be
noted that the liquid viscosity has the same value for pressures above the saturation point.
The Expanded Fluid model can be further tuned to match the liquid viscosity and this can be done by using the
recently improved OilProp unit operation. To tune the liquid viscosity, start by adding an OilProp unit oper-
ation, select the following settings and add the Material Stream with the reservoir fluid as the Reference
Stream in Mix_0:
Then, in the Property Curves frame select the Viscosity Curve and add the 17 experimental Oil dynamic vis-
cosity points, note that since the oil viscosity will be tuned the OilProp is set to calculate Liquid phase viscosity
(see the Experimental Data Settings frame in the previous figure).
The unit operation is ready to tune the interaction parameters of the Expanded Fluid viscosity model to match
the experimental data; before doing that, go to the Plot tab and observe the difference between the calculated
and experimental values.
Now, click on the Regress Parameters button and observe the Plot tab again once the regression is done.
Now return to the PVT Analysis unit operation and observe that the oil viscosity values now match the exper-
imental data, the average absolute error between experimental and calculated values is 3.7 %.
Note on Gas Viscosities:

It is also important to note that most of the time the provided Gas viscosities in PVT analyses come from cor-
relations and not from experimental data (as in this case); these correlations are based on low molecular weight
gases and small ranges of specific gravity and temperature. Therefore, Gas viscosities from laboratory ana-
lyses should not be compared to calculated results unless they are experimentally obtained.
Finally we can calculate the Volumetric experiment for this oil; the following table gives the compressibility exper-
imental data [1].
Volumetric
Check the Volumetric (Vol) box from the Summary tab and add the required data for calculation.
The following tables show the comparison between experimental and calculated data.
Observe the close agreement between experimental and calculated results.

This example showed how the PIONA Characterization, the Oil Source and PVT Analysis unit operations
can be combined to match PVT experimental data. This combination is very helpful especially when dealing
with more than one reservoir fluid in a flowsheet since the same PIONA Slate can be used in different Oil
Sources to represent all the participant reservoir fluids.
It is important to remark that the results of this example were obtained based only on the provided char-
acterization data and no Equation of State parameters were tuned. Only the Expanded Fluid model interaction
parameters were tuned to match the oil viscosity.
mentation\Manual Examples\PVT Analysis\PVT Analysis Example with Viscosity (McCain).vmp
Example 2
This example will use the PIONA Characterization to define a crude oil system and match the crude PVT prop-
erties; the example is taken from Ahmed [2].

To start, select the Advanced Peng-Robinson thermodynamic model as the active property package and add
the following pure components that are part of the crude oil analysis: Hydrogen Sulfide, Carbon Dioxide, Nitro-
gen, Methane, Ethane, Propane, iso-Butane, n-Butane, iso-Pentane and n-Pentane. Click on the PIONA
Slate button at the bottom of the Thermo Model form to open the PIONA Slate environment and enter the fol-
lowing parameters:
psia and Mass Flow = 100 lb/h and check the Carbon Number (Cn) Compositional Analysis box, select Cn
as the Analysis type and enter the following information [2].
match the regressed physical properties, repeat this procedure a couple of times. Once the regressions are
done, observe the close match between experimental and calculated values, specially the Saturation Pressure
which is virtually the same value as the experimental one.
PVT Analysis
the stream.
Constant Mass Expansion (CME) Experiment

The following figure [2] shows the Constant Mass Expansion experiment of this crude oil, observe that the
Reservoir Temperature is 247 F and the Saturation Pressure is 1950.7 psia.
Open the PVT Analysis unit operation and in the Summary tab add 247 F as the Reservoir Temperature.
Check the Constant Mass Expansion (CME) box and observe that the Saturation Pressure is practically the
same as the reported value.
Enter the pressure data from the previous table and compare the Relative Volume and Y Function calculations.
The average absolute error respect to the experimental data is 0.57 and 4.1% for the Relative Volume and Y
Function respectively, as seen in the next plots.
Volumetric
The following table shows the Volumetric experiment data for this crude oil. Add the pressure range data to the
PVT Analysis unit operation a compare the results. The average absolute error for the compressibility data is
5.2%.
This example showed how the PIONA Characterization, the Oil Source and PVT Analysis unit operations
can be combined to match PVT experimental data. This combination is very helpful especially when dealing
with more than one reservoir fluid in a flowsheet since the same PIONA Slate can be used to represent all the
participant reservoir fluids.
mentation\Manual Examples\PVT Analysis\PVT Analysis Example (Ahmed).vmp
Example 3
This example will use the PIONA Characterization to define a crude oil system which will be used in a swelling
experiment to be conducted with a defined injection gas, this data was obtained from Pedersen and
Christensen [3].

To start, select the Advanced Peng-Robinson thermodynamic model as the active property package and add
the following pure components that are part of the crude oil analysis: Nitrogen, Carbon Dioxide, Methane,
Ethane, Propane, iso-Butane, n-Butane, iso-Pentane, n-Pentane and n-Hexane. In order to take advantage of
the improved vapor liquid equilibrium predictions from VMGSim, the new hydrocarbon group contribution
based interaction parameters for the Advanced Peng Robinson equation of state were used (Version 2.0), this
can be set in the Thermo form:
Click on the PIONA Slate button at the bottom of the Thermo Model form to open the PIONA Slate envir-
onment and enter the following parameters:
psia and Mass Flow = 100 lb/h and check the Carbon Number (Cn) Compositional Analysis box, select Cn
as the Analysis type and enter the following information [2].
Observe that the Olefin family was not selected because naturally occurring crude oils contains very small quant-
psia and Mole Flow = 1 lbmol/h and check the Carbon Number (Cn) Compositional Analysis box and
select Cn as the Analysis type. Go to the Cn Analysis tab to enter the following analysis data and properties [3]:
match the regressed physical properties, repeat this procedure one more time. Once the regressions are done,
observe the close match between experimental and calculated values, specially the Saturation Pressure which
is virtually the same value as the experimental one.
PVT Analysis
the stream.
Swelling Test
The following tables show the Injection Gas and Swelling test data at a temperature of 73 C for the previously
defined oil [3].
Open the PVT Analysis unit operation and add 73 C as the Reservoir Temperature. Check the Swelling
(Swe) experiment box and go to the Swe tab and add the Injection Gas composition and Cumulative Gas Injec-
ted stages from the previous tables.
Compare the calculated Saturation Pressure and Swollen / Initial Volume ratio values to the experimental data.
Observe that the simulated properties agree very well with the measured data, the average absolute error
respect to the experimental data is only 0.36 and 0.74 % respectively, as seen in the next plots.
This example showed how the PIONA Characterization, the Oil Source and PVT Analysis unit operations can
be combined to match PVT swelling experimental data.
mentation\Manual Examples\PVT Analysis\PVT Analysis Example Swelling Test (Pedersen).vmp
References
[1] MacCain Jr., W. D. The Properties of Petroleum Fluids 2nd Ed. Tulsa, OK: PenWell Publishing Company,
1989
[2] Ahmed, T. Equations of State and PVT Analysis, Gulf Publishing Company, 2007
[3]Pedersen, K. S. and Christensen P. L. Phase Behavior of Petroleum Reservoir Fluids, CRC Press, 2007
Carbon Number (Cn) Analysis

Carbon Number (Cn) Analysis
Main Flow sheet
PFD Stencil
Examples Flowsheet Tools\Information Oper-

ations\CarbonNumberAnalysis.vmp
General
This unit operation is able to produce Carbon Number (Cn) compositional analyses of any attached Material
Stream that contains hydrocarbons. These analyses are similar to those reported by analytic laboratories, this
unit operation can also report the physical properties of a specific Carbon number “plus” (Cn+) fraction.
The values of the In or Out material ports (inlet or outlet) will not be changed by the Cn Analysis unit operation; it
only uses the available information to calculate the desired compositional analysis and then passes the inform-
ation to the appropriate port.
Summary Tab
Active Calculations
Calculation Mode
Defines the source from which the Cn Analysis will be calculated:
Composition Slate - The analysis is based on the current composition and properties of the attached stream
Distillation Curve - The analysis is based on the TBP distillation curve calculated from the composition of the
attached stream
Activates the calculation of the Cn Analysis, enabled by default
Cn+ Fraction Properties

Activates the calculation of the properties of a user defined Cn+ Fraction
Material
observed.
Dry Basis box

The Dry Basis box at the bottom of the form instructs the unit operation to perform all the calculations as water-
free. When the Calculation Mode is Distillation Curve this box is not available since the distillation curve cal-
culations are water-free by nature.
Cn Analysis Tab
This tab will appear when the Cn Compositional Analysis option is selected from the Active Calculations frame.
The tab will show a detailed compositional analysis based on the attached stream composition. the analysis can
be retrieved on mass, mole or volume basis. The compositional analysis is first defined by an initial and a “plus”
carbon number and then it can be organized by Single Carbon Numbers (Single Cn) or Carbon Number
groups (Cn Groups).
Settings
Basis
Sets the basis of the Cn Analysis, the default basis is Mass.
Starting Cn
Defines the initial carbon number of the compositional analysis, default value is 7.
Cn +
Defines the carbon number for the "plus" fraction of the compositional analysis, default value is 20.
Options
Cn Analysis organized by
Defines if the Cn Analysis is organized by Single Carbon Numbers (Single Cn) or by Carbon Umber Groups
(Cn Groups). If the Cn Groups option is selected, then more option will be available.
Cn Groups
Defines the number of groups for the Cn Analysis.
Cn Groups defined by
Used in the Composition Slate Mode. Specifies which property will be used to define the Cn Groups: Carbon
Number, Boiling Point or Molecular Weight, if one of the last two options is selected then an extra option will
show up.
Cn Groups properties from

Used in the Composition Slate Mode. Defines the source used to specify the boiling points or molecular weights
of the different Cn Groups:
* Katz-Firoozabadi: From Katz and Firoozabadi, J. Pet. Tech., 1978, 1649-1655
* User: User defined properties
Cn Properties from
Used in the Distillation Mode. Defines the source used to specify properties of the different Cn Groups:
Include Light Cmps. in Cn Analysis

Used in the Distillation Mode. Includes the Light Ends and Non-Hydrocabon components inside the Cn Ana-
lysis
Total Composition
This frame shows the total fraction of the Light Ends and Non Hydrocarbon components as well as the fraction
of the Cn Analysis.
Total Flow
This frame shows the flow of the Light Ends and Non Hydrocarbon components as well as the fraction of the Cn
Analysis.
TBP Values
Only available in the Distillation Curve mode. These values show the end points of the calculated distillation
curve, depending if the light ends are included or not, the IBP could change.
IBP
Initial Boiling Point of the calculated distillation curve, it can be used to see if the IBP is below the end boiling
point of the first Cn group, if this is not the case a warning message is sent.
EBP
End Boiling Point of the calculated distillation curve.
Compositional Analysis
The Compositional Analysis frame contains tables with the compositional distribution of light ends and non
hydrocarbons, and carbon number groups. The Light Ends / Non Hydrocarbons table contains the composition
of all the non hydrocarbons and hydrocarbons, with carbons numbers lower than the Starting Cn, that are avail-
able case. The Cn Analysis table has the Single Cn's or Cn Groups compositions as well as their boiling point or
molecular weight range, note that the last Cn group represents the plus fraction.
If the boiling point or molecular weight of the carbon number groups are defined by the user, then they can be
entered in this table.
Cn Analysis Plot
This tab will appear when the Cn Compositional Analysis option is selected from the Active Calculations frame.
The tab contains the Cn Analysis plot, it shows the dependency of the Single Cn or Cn groups vs their com-
positions.
Plot Window
Plot control
Check Boxes
Advanced…
lowing form:
Save As JPG…
Copy
Print…
Cn+ Properties
This tab provides the physical properties of a specific Cn+ fraction, the plus fraction can be defined by any car-
bon number, boiling point or molecular weight. The plus fraction is thus defined by components with property
values higher than the specified value for the plus fraction, for instance if the plus fraction is defined by Cn = 7,
then all components with Cn >= 7.0 will form the plus fraction; if the plus fraction is defined by boiling point = 70
C, then the plus fraction is formed by components with boiling points above 70 C. In addition, the properties of
the bulk mixture can also be obtained.
Settings
Basis
Sets the basis of the Cn+ Fraction, the default basis is Mass.
Cn+ Fraction defined by

Only available in Composition Slate mode. Defines the physical property used to define the Cn+ Fraction. The
options are carbon Number (Cn), Boiling Point (BP) and Molecular Weight (MW), default value is carbon Num-
ber.
Cn +
Defines the carbon number for the "plus" fraction for which physical properties will be calculated.
BP / MW for Cn+ Fraction from

Only available in Composition Slate mode. Defines the source of the boiling point or molecular weight of the
Cn+ Fraction:
Cn+ Fraction Prop. from

Only available in Distillation Curve mode. Defines the source of the boiling point of the Cn+ Fraction:
BP / MW for Cn+ Fraction

Defined the actual value of the boiling point or molecular weight of the Cn+ Fraction.
Include Light Cmps. in Cn+ Props.

Used in the Distillation Mode. Includes the Light Ends and Non-Hydrocabon components inside the Cn+ Frac-
tion properties.
Cn+ Properties
This frame defines the available Cn+ Fraction physical properties: fraction, flow, molecular weight, density at a
specified temperature and pressure, and saturation pressure at a given temperature.
Bulk Properties
This frame shows the available Bulk physical properties: molecular weight, density at a specified temperature
and pressure, and saturation pressure at a given temperature.
Compositional Analysis
This frame contains a table with the normalized compositional distribution of the compounds forming the Cn+
Fraction.

Notes Tab
Carbon Number (Cn) Analysis Example

In this example a Cn Analysis will be calculated for a hydrocarbon stream.
Open the PIONA Oil Source example from the Manual examples folder located in C:\Program Files
(x86)\VMG\VMGSimPkg\Documentation\Manual Examples\Oil Data Regressions\Oil
Source\PIONAOilSourceExample.vmp. Create a Material Stream (S1) and a Cn Analysis unit operation (Cn1)
and connect them as below:
Open the Cn Analysis unit operation and go to the Cn Analysis tab:
Observe that the composition of this feed goes up to C8 in the Cn Analysis since this is a light naphtha type fluid,
in order to have a better resolution of the analysis, change the Starting Cn and Cn+ to 5 and 8, respectively.
The Cn Analysis Plot tab shows the Cn analysis distribution:
The Cn Analysis can also be performed by Cn Groups, to do so got to the Option frame and enter the following
values:
Observe that the Cn Analysis is defined by boiling points defined by Katz and Firoozabadi:
The Cn Analysis Plot would look like this:
Go to the Summary tab and check the Cn+ Fraction Properties box and open the Cn+ Properties tab to
observed the calculated properties:
Now enter the following values in the Settings frame to observe the properties of a lower fraction of this feed:
mentation\Manual Examples\Flowsheet Tools\Information Operations\CarbonNumberAnalysis.vmp
Amines Property Package

Amines Property Package
Aqueous amine solutions are some of the most widely used solvents for the industrial scrubbing of acid gases
from natural gas streams. Aqueous amine solutions have been in use since the 1930’s (Bottoms, 1930). Com-
prehensive information on amine treating processes are available in Maddox (Maddox, 1977), Kohl and Riesen-
feld (Kohl and Riesenfeld, 1979), Astarita, Savage and Bisio (Astarita et al., 1983) and the GPSA handbook
(GPSA, 1998).
Amines – Generalities
In the context of this work, amines are a short hand for alkanolamines. The idea behind the use of amines for
gas scrubbing is actually quite simple. Amines form basic solutions in water, and sour gases such as CO2 and
H2S form weak acids in aqueous solutions. Therefore acid-base reaction equilibrium is established and large
amounts of acid gas can be kept in solution in the form of organic salts. Since the salt formation reactions are
exothermic, the equilibrium is favored towards low temperatures and ideally suited for absorber operation. The
salt formation reactions can be reversed by supplying heat, which is done in a regeneration tower and the lean
amine can then be recycled to the absorber.
Why Alkanolamines?
At first glance, it would look like a good idea to use a stronger base such as ammonia or a simpler amine such
as ethylamine as the reactive solvent. It is well known that ammonia readily reacts with carbon dioxide at high
pressures forming ammonium carbamate and ammonium bicarbonate. From a chemical point of view, ethyl-
amine and monoethanolamine (MEA) have the same reactivity, so why use MEA instead of ethylamine or
ammonia? The reason is simple. We want to avoid the loss of reactive solvent as much as possible in the regen-
eration stage, for example the addition of the hydroxyl group in the ethylamine structure changes the vapor pres-
sure of ethylamine at 100 C from 176 psia to 0.72 psia. This change in vapor pressure corresponds to a
significant decrease in reactive solvent losses. More complex alkanolamines are available with considerably
lower vapor pressure than MEA.
Amines Alternatives
Hot Potassium Carbonate
For processes with high CO2 partial pressures such as natural gas or commercial synthesis gas, the hot
potassium carbonate solution provides an economic sweetening medium for processing. VMG’s amines prop-
erty package can model sweetening using potassium carbonate solutions.
Physical Solvents
Please consult the Physical Solvents section for details on physical solvents supported by VMGSim.
Industrially Important Amines and Related Chemicals

Industrially important alkanolamines are usually classified by the number of substitutions to hydrogen in the
amine radical. Primary amines have one substitution, secondary amines two substitutions and ternary amines
three substitutions. The aqueous solutions of the following reactive solvents are supported by VMGSim:
Primary
Monoethanolamine (MEA)
β,β’ Hydroxyaminoethylether(DGA)
Secondary
Diethanolamine(DEA)
Diisopropanolamine(DIPA)
Tertiary
Triethanolamine(TEA)
Methyldiethanolamine (MDEA)
Sterically Hindered Amines

2-Amino-1-Propanol(AMP)
Reactive Inorganic Salt Solutions

Potassium Carbonate(Hot Pot)
Physical Solvents
Sulfolane is supported in mixtures with DIPA and MDEA.
Amines Chemistry
From a practical modeling standpoint the chemistry of acid gas absorption using aqueous alkanolamine solu-
tions can be described by chemical reactions 1, 2 and 3.
In reactions 1 and 3 the index “i” can vary between 1 and 3 to represent primary, secondary and ternary alkan-
olamines. In reaction 2 the index “i” can vary between 1 and 2 since only primary and secondary amines form
carbamate. The radical R represents an organic attachment.
Note that reaction 1 is actually the overall result of several sequential steps.
We can also include the reactions for the hot potassium carbonate process in this section for completeness.
Although not an amine, potassium carbonate solutions are also supported by VMGSim.
Amines Thermodynamic Model

The amines thermodynamic model is based on the concept of having the Gibbs excess free energy of the mix-
ture in the liquid phase composed of three contributions as shown in equation 1.
Where E stands for the excess Gibbs free energy, LR stands for long range electrostatic forces associated to
the limiting value described by the Debye-Huckel theory, MR stands for medium range forces describing the
solvent / ion interactions as described by Pitzer’s virial theory and SR stands for short range forces described by
the NRTL model.
Differentiation of equation 1 with respect to number of moles provides the expression for the calculation of activ-
ity coefficients in the liquid phase as shown in equation 2.
This type of formulation was initially introduced by Li and Mather (1994) and further refined by Kaewsichan et
al. (2001). Li and Mather use the Margules expression for the short range activity coefficient while Kaewsichan
and co-workers use the UNIQUAC model for the short range interactions. In our case we use the NRTL model
since it does not require arbitrary values for the area and volume parameters of ions as used by Kaewsichan
and co-workers. It is important that proper normalization of activity coefficients as expressed by equation 2 be
used for ions, solutes and solvents.
With the activity coefficient expression defined, we can proceed with the calculation of actual liquid phase com-
positions that will correspond to the equilibrium mole fractions of acid gas, salts and solvents present in liquid
phase. This is accomplished by solving a series of chemical reactions simultaneously as expressed in equation
3.
Where j is the reaction number, Kj is the equilibrium constant for the “j” reaction at temperature T and is the
stoichiometric coefficient for component “i” in reaction “j”.
With the chemical equilibrium in the liquid phase computed using equation 3 we can calculate the fugacity of
each component in the mixture and therefore proceed with phase equilibrium calculations. Ions have zero
vapor pressure. The fugacities are calculated as shown in equation 4.
Note that the superscript “*” denotes activity coefficients and mole fractions calculated assuming liquid phase
chemical equilibrium. In other words, the activity coefficients and mole fractions are the actual mole fractions
and activity coefficients calculated taking into account all species – ions, dissolved gases and solvents – that
may be present in the system. The standard state fugacity is calculated using the standard models for
solvents and dissolved gases taking into account the proper normalization of the activity coefficient. Ionic spe-
cies have no vapor pressure and are not present in the vapor phase.
Note that VMGSim’s amine model can handle mixed amines as well as mixtures of amines and hot potassium
carbonate.
Amine Tray Acid Gas Component Efficiency Model Basics

VMGSim’s efficiency model is based on the non-equilibrium model proposed by Tomcej et al. (1987).
We start by defining the efficiency of a non-ideal separation stage using equation 5. The quantities appearing in
equation 8 are defined in figure 1 and the Nomenclature section.
Figure 1Non-ideal separation stage and main variables for mass balance
A differential mass balance on tray j can be written for a small volume of liquid on the tray defined by a small
height of liquid where material from the gas is absorbed into the liquid, as shown in figure 2.
Figure 2Differential mass balance for mass transfer
The differential mass balance of component i on tray j can be expressed as equation 6.
Rearranging we have equation 7.
Taking the limit when we have equation 8.
Applying the derivative of the product to equation 8 we have equation 9.
The boundary conditions for equation 9 are given by equations 10 and 11.
at Z = 010
at Z = ZT11
The vapor flow rate derivative with respect to the height of fluid on the tray can be approximated by equation 12.
12
We can write the instantaneous value of vapor flow as equation 13 since equation 12 implies a straight profile.
13
And equation 12 can be written as equation 14.
14
We can isolate the vapor composition derivative as shown in equation 15.
15
In order to integrate equation 18 over the height of liquid on the tray we need to specify the boundary condition
in equation 16.
at Z = 0 16
17
18
19
For generality VMGSim allows you to modify the value of the mass transfer coefficient for i = CO2 and i = H2S
from the internally generated valued from equation 18 using equation 20.
20
Where i = CO2 or i = H2S
The use of coefficients ei allow you to match specific equipment performance data as well as enhancement
effects related to the addition of chemical activators.
Selectivity and Reaction Rates Issues

When modeling reactive systems such as aqueous alkanolamine solutions, it is important to keep in mind that
thermodynamic equilibrium, although an important part of the answer does not provide the complete answer.
Different diffusivities of gases and ions determine quite different overall reaction rates for H2S and CO2. Usu-
ally, H2S reactions are much faster than CO2 reactions in alkanolamine solutions. This difference in reaction
rates can then be used for equipment design and allow selective absorption of H2S while allowing significant
amounts of CO2 pass through the absorber.
The chemistry of H2S in aqueous solutions is relatively simple (Astarita et al., 1983) and can be represented by
reaction 21, where B is a base in solution.
21
Proton transfer reactions are usually fast and reaction 21 can be regarded as instantaneous.
The chemistry of CO2 reactions in aqueous solutions is more complex (Astarita et al., 1983) and can be rep-
resented by equations 22 and 23.
22
23
The overall chemical reaction rate can be expressed as equation 24.
24
The relative contribution of reaction 21 or 22 is determined by the solution pH. For pH < 7 reaction 23 dom-
inates while for pH > 8 reaction 23 dominates. For all pH levels of practical interest, reaction 23 is the most
important. Since the concentration of hydroxyl ions is usually very low (0.001 molar or less) the reaction rate is
slow.
Homogenous catalysts such as arsenite or sulfite ions can be used to increase the reaction rate of CO2 absorp-
tion. These homogeneous catalysts are called rate promoters or activation agents. For arsenite ion the rate
expression shown in equation 25 is suggested.
25
In industrial applications the term is large relative to the other two terms.
Another “activated” CO2 absorption process of note is the Benfield process where a potassium carbonate solu-
tion is “activated” using diethanolamine (DEA). As reported by Maddox (Maddox, 1977) small amounts of
amine can have significant effect in the CO2 rate of absorption by hot potassium carbonate solutions.
In addition to the influence of chemistry on reaction rates, we also have the influence of tray or packing hydro-
dynamics. These effects are difficult to predict entirely based on theoretical models, and instead of using highly
complex models (that in turn require significant data that is usually not available) we have elected to work with
the mass transfer multipliers to allow you to match equipment performance data using the minimum amount of
adjustable parameters.
A Brief Note on Model Accuracy

Acid gas / amine solutions are difficult systems to model due to the string coupling between chemical and phys-
ical equilibrium. The acid gas partial pressure ranges over the amine solution are wide typically spreading over
6 or more orders of magnitude. Therefore careful data fitting is necessary to avoid biasing the fit towards high
partial pressure data points. In addition to the mathematical modeling challenge, we have the added com-
plication of significant data scatter as shown in figures 3 and 4.
Figure 3Error dispersion plot for H2S partial pressure over DEA
Figure 4Error dispersion plot for H2S partial pressure over DEA
Based on an exhaustive compilation of literature data, it is believed that in average the partial pressure data for
CO2 and H2S published has an error of approximately 30%. Detailed regression results for the Amines prop-
erty package are available and should be consulted for additional information.
Last but not least, there are significant kinetic effects present in amine and hot potassium carbonate towers that
are dependent on the physical properties, presence of activation agents and device hydrodynamics. VMGSim
will estimate efficiencies for your contacting device based on a series of simplifying assumptions adequate for
trays. In the event of using packed towers, the packing height needs to be converted into an equivalent number
of trays using HETP information from the packing vendor. Useful guidelines for the estimation of tray efficiency
are provided below. It is recommended that estimated efficiencies always be critically evaluated by the user.
Table 1General guidelines for component efficiencies in amines
Amine Absorber H2S | CO2 in % Regenerator H2S | CO2 in %

DEA 60 15 to 20 20 to 40 5 to 8
MDEA 60 5 20 to 40 5 to 8
Formulated MDEA 60 10 to 20 20 to 40 5 to 8
As well, it should be noted that the amine property package is not designed for liquid-liquid scenarios.
Bibliography
Astarita, G.; Savage, D.W. and Bisio, A.; “Gas Treating with Chemical Solvents”; John Wiley and Sons, 1983
Bottoms, R.R.; U.S. Patent 1,783,901; 1930
Engineering Data Book – FPS Version Volume II 11th Edition, 1998
Kaewsichan, L.; Al-Bofersen, O.; Yesavage, V.F. and Sami Selin, M.; “Predictions of the solubility of acid gases
in monoethanolamine (MEA) and methyldiethanolamine (MDEA) solutions using the electrolyte-UNIQUAC
model”; Fluid Phase Equilibria 183-184(2001) 159-171
Kohl, A.L. and Reisenfeld, F.; “Gas Purification”; Gulf Publishing Co.; Houston, 1979
Li, Y.-G. and Mather, A.E., “Correlation and Prediction of the Solubility of Carbon Dioxide in a Mixed Alkan-
olamine Solution”; Ind. Eng. Chem. Res., 1994, 33, 2006-2015
Tomcej, R.A.; Otto, F.D.; Rangwala, H.A. and Morrell, B.R.; “Tray Design for Selective Absorption”; Paper
presented at the Gas Conditioning Conference, March 2-4, 1987, Norman, Oklahoma
Nomenclature
-interfacial area per unit volume of dispersion
A- tray active sectional area
Am - Amine type – MEA, DEA, etc
e - empirical correction factors for mass transfer coefficient

f - fugacity
F - molar feed
G - Gibbs free energy
h - weir height
k - k-factor, kinetic coefficients
K - overall mass transfer coefficient
L -molar liquid flow
Mw - molecular weight
Nc - Number of components
P - pressure
S - length of travel of gas bubble on tray
SL - molar liquid side draw
SV - molar vapor side draw
t - Time
T - temperature
V - molar vapor flow
x - liquid molar composition vector
w - weir length
y - vapor molar composition vector
z - feed molar fraction vector
Z - height of liquid over a tray
Subscripts
i - component index
j - tray index or reaction index
LR - Long range
MR - Medium range
og - overall based on gas phase
SR - Short range
T - total height of liquid on tray (weir + liquid over weir) -
Superscripts
0 - Standard state
E - Excess
p - predicted using equation 23
* - Value calculated using compositions at chemical equilibrium
Greek letters
- stoichiometric coefficient
- activity coefficient
- liquid viscosity
- liquid density
Amine Property Package Simulation Features

There are several features that have been added to VMGSim that are either specifically designed for use in
amine systems or are available only when using the Amine property package.
Some of these features were added as a convenience measure for the user while others were designed to
address issues unique to amine treating systems. The following section details these features and how they can
be utilized in your amine system simulations.
Tower Features
Tower Forms
Amine towers can be modeled using the standard suit of towers unit operations available in VMGSim.
Absorbers (representing amine contactors) and Distillation Columns (representing amine regenerators) will be
most commonly used. Any tower form added with the amine property package selected will have an available
Tray Dimension tab.
Note that if you do not see the Tray Dimension tab in a tower that is to be used in an amine simulation, ensure
that the amine property package was properly selected.
Tower Solver
Due to the complex nature of the amine systems, particularly when efficiencies are calculated by VMGSim, the
standard tower solution algorithm was adjusted to solve for amine towers. VMGSim detects if the tower being
solved is an amine column and will automatically make the necessary adjustments, so the user will not be
required to make changes to the convergence parameters or add estimates to the tower, in the majority of
amine towers. Amine towers also monitor the tower convergence and, if necessary, will enable an adaptive
damping scheme which will help to converge the tower. If the adaptive damping scheme is used the user may
notice the damping factor (located in the convergence tab) is a different value than from that in a previous run.
For the majority of cases the amine tower solver feature will allow a tower to solve with no modifications to it’s
configuration, however if you do experience convergence problems the following may resolve them. Reduce
the inner error in Amine Contactors (Absorber) from the default 0.0001 to 0.00001. In the case of an uncon-
verged Amine Regenerator(Distillation Column) it may help to try solving from the last converged value and or
lowering the damping factor.
The Tray Dimension tab allows tray dimension data to be either input directly or estimated using the available
GPSA Estimate feature. The tray dimensions are utilized when the CO2 and H2S stage efficiencies are cal-
culated by VMGSim.
Spec/Estimate
A Duty to Feed Flow specification is now available in all VMGSim towers for all property packages, but is par-
ticularly useful for Amine Regenerators where a Duty/Flow of amine ratio is a common design specification.
The Duty to Feed Ratio Spec configuration form will be similar to the following.
By default, Duty to Feed on a molar basis will be selected (a mass and standard liquid volume basis are also
available). The reboiler duty will also be selected as default, although any energy stream to/from the column
could also be selected. If the column only has a single Feed it will be selected by default, if a column has multiple
feeds the user will have to select the feed(s) to be included in the duty ratio calculation.
Efficiencies
When the amine property package is in use a pull down menu will be added to the efficiency tab; this allows the
user to select the efficiency model that is to be used for amine columns.
Use Current Values

By default, the Use Current Values option will be selected, this option will allow the configuration of stage or
component stage efficiencies to be handled in the same way it would in a non-amine tower.
Use Acid Gas Default

If the Use Acid Gas Default option is selected, a H2S Multiplier and a CO2 Multiplier input box will appear on the
efficiencies tab.
The Use Acid Gas Default option sets the component stage efficiencies for H2S and CO2 to typical values.
These efficiencies depend on the type of amine being used, whether the tower is a Contactor or Regenerator
and the value of the H2S and CO2 multiplier values, but are otherwise static and do not require any tray dimen-
sion information to be entered. The default value of the H2S and CO2 multiplier is 1 but these can be adjusted
to match plant data or to predict the effect of a formulated amine.
Note that adjusting the H2S and/or the CO2 Multiplier will only affect the tower where the multipliers were adjus-
ted, multiplies in any other towers in the simulation will have to be adjusted directly.
Auto Calculate (Req. Tray Dimension)

If the Auto Calculate (Req. Tray Dimension) option is selected, a H2S Multiplier and a CO2 Multiplier input box
will appear on the efficiencies tab.
The Auto Calculate (Req. Tray Dimension) option will update the component stage efficiencies for H2S and
CO2 using the model described in the Amine Tray Acid Gas Component Efficiency Model Basics of the Amine
Property Package section of the manual. This method requires that tray dimension values are input, the effi-
ciency algorithm will then use these dimensions in conjunction with the conditions in the tower to determine the
H2S and CO2 stage efficiency. The default value of the H2S and CO2 multiplier is 1 but this can be adjusted to
match plant data or to predict the effect of a formulated amine. Adjusting the H2S and/or the CO2 Multiplier
when the Auto Calculate (Req. Tray Dimension) option is selected multiplies the base H2S or CO2 mass trans-
fer used in the efficiency calculation algorithm by the respective multiplier, so there will not be a linear rela-
tionship between the multiplier and the stage efficiency.
Note that adjusting the H2S and/or the CO2 Multiplier will only affect the tower where the multipliers were adjus-
ted, multiplies in any other towers in the simulation will have to be adjusted directly.
Tray Dimension
The tray dimension tab is only applicable to the simulation when the Auto Calculate (Req. Tray Dimension) effi-
ciency option is selected; this is where the required tray dimension information is managed.
Tray dimension information can be entered manually by typing it into the appropriate cell or by selecting a range
of cells and pressing the Constant button which will cause the following form to appear.
The value entered in this cell will be entered in all of the selected cells once the OK button is pressed.
The tray dimension tab also contains the GPSA Estimate feature, which will estimate the tray dimension of
amine contactors and regenerators using the correlations presented in the GPSA databook. In order to have
enough information to estimate the tray dimensions, contactors require that a column pressure profile be
entered and a fully defined gas stream to be treated be connected to the tower. Regenerators require only that
a fully defined rich amine stream to be treated is connected to the regenerator to estimate the tray dimensions.
VMGSim will detect whether the tower to be sized is a contactor or regenerator and will select the appropriate
radio button as shown below.
Contactor GPSA Estimate Form
Regenerator GPSA Estimate Form
If the required information is available it will be entered into form automatically, both estimation methods use a
default weir height value of 2 in. The values tab will provide a preview of the values that will be entered into the
Tray Dimension tab; pressing the OK button will enter the values into the Tray Dimension tab. Pressing the
GPSA Estimate value after the original configuration has been done will show the values originally used to
estimate the tray size, if the relevant flow rates have changed in the simulation. The Take Values From Tower
button must be pressed in order for these new values to be used as the basis for re-estimating the tray dimen-
sions.
Multi Pass Trays

The ability to estimate the efficiencies of Multi Pass trays can be enabled by Selecting the Multi Pass radio but-
ton on the Tray Dimensions tab. With the Mutil Pass tray option selected the information required to be input will
change, specifically it will be required to enter a Tray diameter, Downcomer Area, Weir Height and number of
Tray Passes.
Note that the Downcomer Area is the total area of all of the downcomers on a tray passing liquid to the stage
below, this is the same convention used in VMGSim’s Tower Sizing and Rating capabilities.
The GPSA Estimate forms for both the contactors and regenerators will have additional options and provide
default values for downcomer area if Multi Pass support is enabled.
Contactor GPSA Estimate Form Multi Pass
Regenerator GPSA Estimate Form Multi Pass
Amine Detail
The Amine Detail was design specifically for use in amine treating simulations; it provides a convenient sum-
mary of the parameters useful in amine treating applications. The Amine detail can be found in either the PFD
or PFD2 pallet as the following icon , the Amine Detail operation icon will appear as when it is
added to the PFD. The following show the signals available in the Amine Detail operation.
The Ion Contents of the attached Stream can be viewed by selecting the Ion content tab and enabling the Ion
Calcs.
Amine Sweetening Plant Tutorial Using MDEA

In this tutorial we will create an amine Sweetening unit which treats 40 MMSCFD of sour Natural Gas using a
Methyldiethanolamine (MDEA) solution.
Start a new VMGSim case, and select the Amine property package with the following components: N2, CO2,
H2S, C1, C2, C3, i C4, n C4, i C5, n C5, C6+ H2O and MDEA. Note that C6+ is a hypothetical component with
a measured normal boiling point of 120C that represents the C6+ components in the stream..
Add a Material Stream, Sour Gas and specify the conditions as show below.
Add a separator and name it Inlet Separator. Connect the Sour Gas Stream to it. This will remove any liquid in
the Sour Gas before it enters the absorber. Create a material stream, Gas to Abs, and connect it to the vapor
stream of the Inlet Separator.
Add another material stream, Lean Amine, this stream will initially be specified simply with an 45 wt% MDEA
and 55 wt% Water solution with a temperature and pressure of 100 °F and 1000 psia, respectively and a
SdtLiqVolumeFlow of 800 US gal/min. Eventually this stream composition will be replaced with the composition
determined from the amine regenerator. To make the stream into an estimate simply type a ‘ ~ ‘ in front of one of
the values entered. For example ~100 instead of 100, for a temperature value. The Lean Amine stream should
appear as shown below.
Now add the absorber, drag and drop an absorption tower into the flowsheet:
Connect the Lean Amine and Gas To Abs Streams to the contactor as shown below.
To set the proper number of stages, open the absorber form and click the Add/Remove Stages… button.
Add 23 additional stages to the column, for a total of 25 real stages.
Click the Spec/Estimates Tab and enter the pressure profile given below.
Click on the Tray Dimensions Tab and Press the GPSA Estimate Button. This will cause the following form to
appear and will use the amine contactor tray size estimation method presented in the GPSA to calculate the
tray size based on the pressure and flow rates into the column.
Click Ok to accept the estimated tray sizes.

Now click on the Efficiencies Tab, and select the Automatic Calculate option from the pull down list located to
the right of the Edit … button.
Press the Solve Button, the Column should solve and appear as below.
Add a material stream, Sales Gas, to the vapor product of the Absorber.
Create another material stream, Rich Amine, and connect it to the liquid product of the absorber. Add a valve to
the flowsheet and connect Rich Amine to the valve’s inlet. Create a Separator named Flash Tank and connect
the outlet of the valve to its inlet. Create a heat exchanger named Rich Lean Cross Exchanger and using a
material stream connect the liquid outlet of the Flash Tank to the tube inlet of the heat exchanger. Set the pres-
sure drop of both sides of Rich Lean Cross Exchanger (Tube DP and Shell DP) to be 5 psi. Specify the outlet
temperature and pressure of the tube side of the heat exchanger to be 200 °F and 60 psia, respectively. Also
create and connect a material stream named Heated Rich Amine to the tube outlet of the Rich Lean Cross
Exchanger.
Your flowsheet should be similar to the following figure.
We will now add the amine regenerator. Add a distillation tower to the flow sheet and connect Heated Rich
Amine to it.
Add 19 stages to the Regenerator for a total of 22 stages.
The Heated Rich Amine feed enters on the 4th stage, to change the location of the feed select the appropriate
stage from the stage pull down menu in the FEED section of the configuration tab.
Select the Specs/Estimate Tab and add the Pressure Profile and the 3 Specs necessary to solve the regen-
erator. The pressure in the regenerator are as follows: condenser 19.5 psia, top tray 21.5 psia, and 24.5 psia for
the reboiler.
The three specifications that will be added are:
1. Stage 1 temperature of 120 °F
2. Duty to Feed Ratio Spec of 900 Btu/gal(US)
3. Condenser liquid draw flow rate of 0 lbmole/hr (full reflux condenser)
To add the specs click <New> in the specification area and modify the form that pops up. The figure below
shows the configuration of the form to add the stage 1 temperature spec.
Once configured, Press OK. Repeat this process for the Duty to Feed Ratio spec.
And for the condenser liquid draw flow rate.
Click on the Tray Dimensions Tab and Press the GPSA Estimate Button. This will cause the following form to
appear which will use the amine tray size estimation method presented in the GPSA to calculate the tray size.
Click Ok to accept the estimated tray sizes.

Now click on the Efficiencies Tab, and select the Autocalculate efficiencies option from the pull down list.
Press the Solve button and the column will solve.
Note that the Damping Factor may change from the originally specified value; this is a result of the adaptive
damping algorithm built into the Towers solution algorithm.
Connect a material stream, Acid Gas, to the Vapor draw of the condenser. This stream contains the majority of
the acid gas removed from the Sour Gas feed and is sent to further treatment such as a Claus plant.
Connect another material stream, Regenerated Amine, to the regenerator bottoms.
Connect Regenerated Amine to the inlet of the Shell side of the Rich Lean Cross Exchanger. Add another
stream from the outlet of the Shell side of the Rich Lean Cross Exchanger.
Add material stream, Make Up Water, and specify it as below:
Create a mixer, and connect Make Up Water and From Cross Exchanger to the mixer’s inlets. Switch the Cal-
cPressureMode to AllPEqual using the pull down menu.
The flow sheet will look like the following:
Add a pump with an efficiency of 75%. Now add a Cooler with a pressure drop of 5 psi. This cooler will provide
the final cooling before the amine re-enters the absorber, specify it’s outlet temperature and pressure to be 100
°F an 1010 psia, respectively.
The flowsheet will appear as shown below:
At this point the recycle loop that re-circulates the regenerated amine for use as the lean amine for the contactor
needs to be closed. The first step in doing this is to provide a means to calculate flow rate of make up water
required to account for the water lost in the Sales Gas, Flash Tank Vent and Acid Gas streams. This can be
done by creating a simple water balance using the Excel Unit operation.
Add and excel unit operation, and configure the worksheet as shown below.
Now import the water molar flow rates from each of the streams listed above. Open the Gas to Abs form in
VMGSim and expand the Molar composition/Molar Flow. Click on the component molar flow rate of Water and
right click, select Copy Connection.
Navigate to the Excel Worksheet and select cell B2 and right click, select Paste connection.
This will create a link between the Excel Unit operation and VMGSim and makes the current molar flow rate of
water in the Gas to Abs stream available in Excel.
Repeat this process for the Sales Gas, Flash Tank Vent and Acid Gas Streams. Your worksheet should appear
as follows
Enter the following formulas:
Cell B3: = sum(B2)

Cell B9: = sum(B6:B8)
Cell C2: = B9-B3
To finish the configuration of the Make Up Water Calculator, select cell C2 and right click, select Copy Con-
nection.
Now navigate to the VMGSim PFD and open the Make Up Water form. Select the molar flow cell, right click and
select paste connection
This will create a link between the Excel unit operation and the molar flow rate of the Make Up Water Stream
and will provide enough information for the mixer, pump and cooler to solve.
The cooler, pump, and mixer should now solve resulting in a flowsheet that looks something like this.
Finally close the recycle by connecting the inlet of Lean Amine to Cooler. The case will iterate several times
before reaching a solution.
The simulation can be refined by adding a controller to adjust the Lean Amine flow rate in order to meet a spe-
cified Acid Gas to Amine molar ratio in the Rich Amine stream. Begin by adding an Amine Detail unit operation
after the Rich Amine stream, this may require the flowsheet connections to be unlocked and an additional
stream to be added. The flowsheet should appear as below following the addition of the Amine Detail.
Now add a controller to the PFD and rename it Rich Loading Controller.
First configure the OP, which will be manipulated by the controller, click on the OP connections cell and select
<New>.
In the form that appears select /Lean Amine to be the Connected Object and the Signal Variable Type to be
New StdLiqVolumeFlow.
Press Ok. Now Select the PV connection cell and select AD1.AcidGas/Amine_(mol).
Finish specifying the controller by entering a Step Size of 0.25 and a SP Value of 0.4. The case will now iterate
until the Acid Gas to Amine ratio in the Rich amine is 0.4 mol AG/mol Amine.
The final case should appear similar to the one shown below.
Physical Solvent Property Package

Physical Solvents Property Package
Physical solvents are possible alternatives to amine treating systems. Physical solvents are so called because
the acid gas absorption is based on physical absorption instead of liquid phase chemical reactions as in amines
and carbonate processes. For a physical solvent, the solubility of acid gas at low pressures is small, but
becomes large at high pressures (lets say above 200 to 300 psia). On the other hand, the solubility of acid
gases at low pressures in chemical solvents is quite large, but the reactive solution becomes chemically sat-
urated at moderate pressures. This is well illustrated in figure 1.
Figure 1Chemical and physical solvent behaviour
The difference between physical and chemical solvent behavior opens the possibility of creating blends of chem-
ical and physical solvents that provide good performance at low and high loadings. A typical example is the
Sulfinol solvent that uses DIPA or MDEA solutions as the chemical solvent and sulfolane as the physical
solvent. Sulfinol solutions are supported by the Amines property package.
The Physical Solvents property package is the ideal complement to the Amines property package for the ana-
lysis and comparison between different acid gas treatment possibilities.
Dimethyl Ethers of Polyethylene Glycol

Dimethyl ethers of polyethylene glycol (PEGDME) are a class of physical solvents. VMGSim support both the
COASTAL-AGR and PEGDEM-280SM components which represent a mixture of dimethyl ethers of poly-
ethylene glycol.
The generic formula for PEGDME is shown below.
Initial tests were run on the dimethylether of tetraethylene glycol (Maddox, 1977) also known as DMTEG. That
testing showed that a less expensive mixture of dimethyl ethers of polyethylene glycols ranging from diethylene
glycol to heptaethylene glycol (DMPEG) was just as effective as DMTEG in the absorption of CO2.
Published literature values (Xu et al., 1992; Schmidt, 1997) suggest that that the average molecular weight of
commercial PEGDME solutions is between 266 and 280 g/gmol. The COASTAL-AGR component was con-
structed based on data provided by the Coastal Chemical Co. The PEGDME-280SM component available in
VMGThermo was constructed based the data of Schmidt (1997).
A typical composition of an PEGDME based physical is shown in table 1.
Component Weight %
Triethylene glycol dimethyl ether 6.1
Tetra 19.6
Penta 25.7
Hexa 22.3
Hepta 14.7
Octa 7.3
Nona 3.2
Deca 1.2
Undeca 0.2
Table 1Typical PEGDME composition – Schmidt (1997)
The following components can be used in mixtures with PEGDME based solvents
Carbon Dioxide
Hydrogen Sulfide
Sulfur Dioxide
Light Hydrocarbons (C1 – C7)
Hydrogen
Carbon Monoxide
Ethylene
Carbonyl Sulfide
Acetylene
Ammonia
Methyl Mercaptan
Carbon Disulfide
Benzene
Thiophene
Water
Hydrogen Cyanide
Propylene Carbonate
Propylene carbonate was first used in the 1950’s for the removal of carbon dioxide. The chief criterion for the
selection of propylene carbonate was the high carbon dioxide solubility and relatively low methane solubility
(Bucklin and Schendel, 1984).
The following components can be used in mixtures with Propylene Carbonate

Carbon Dioxide
Hydrogen Sulfide
Sulfur Dioxide
Light Hydrocarbons (C1 – C7)

Hydrogen
Nitrogen
Oxygen
Carbon Monoxide
Ethylene
Carbonyl Sulfide
Acetylene
Ammonia
Nitrogen Dioxide
Methyl Mercaptan
Carbon disulfide
Cyclohexane
Dimethyl Sulfide
Benzene
Water
NFM
N-Formyl Morpholine is a physical solvent proposed for the separation of CO2 and H2S from natural and syn-
thesis gas streams (Jou et al., 1989)
The following components can be used in mixtures with NFM

CO2
H2S
SO2
COS
Methyl Mercaptan
Ethyl Mercaptan
Dimethyl Sulfide
C1-C7 light hydrocarbons
Hydrogen
Oxygen
Carbon Monoxide
Ethylene
Acetylene
Dimethyl sulfide
Water
Tentative generalized parameters are also provided for:
NMP
Normal Methyl-2-Pyrrolidone is the solvent used in the Purisol process created by Lurgi. The Purisol process
has high absorptivity for H2S and indications of selectivity between H2S and CO2 and shows potential for nat-
ural gas applications (Maddox, 1978).
The following components can be used in mixtures with NMP:
Tentative generalized parameters are also provided for:
Genosorb
Genosorb is the trade name of mixtures of polyethylene glycol dialkyl ethers produced by Clariant. According to
the vendor Genosorbs have low vapor pressure, low viscosity and good dissolving power for many organic
solvents and acid gases (Clariant, 2002).
The following Genosorbs are supported:

Genosorb 1843
Genosorb 300
Genosorb 1753
The following components can be used in mixtures with Genosorb 300 and 1753
Methane
Ethane
Ethylene
Acetylene
Propane
N-Butane
N-Pentane
I-Pentane
N-Hexane
Benzene
Thiophene
Methyl Mercaptan
Oxygen
Carbon Monoxide
Carbon Dioxide
COS
Hydrogen
Hydrogen Cyanide
Hydrogen Sulfide
Ammonia
Sulfur Dioxide
The following components can be used in mixtures with Genosorb 1843:

Hydrogen
Oxygen
Methane
Ethene
Acetylene
Ethane
Propane
N-Butane
Methyl Mercaptan
Carbon disulfide
Carbon monoxide
Carbon Dioxide
Hydrogen Sulfide
Sulfur Dioxide
Ammonia
Nitrogen Dioxide
Note that all model parameters are based on solubility data as reported by vendor at 25 C.
Bibliography
Bucklin, R.W. and Schendel, R.L.; “Comparison of Fluor Solvent and Selexol Processes”; Energy Progress,
Vol. 3, No. 3, September 1984
Clariant, “Scrubbing water air and waste gas streams”; Clariant GmbH, August 2002 (http://sur-
factants.clariant.com)
Jou, F.-Y.; Deshmukh, R.D.; Otto, F.D> and Mather, A.E.; “Solubility of H2S, CO2 and CH4 in N-Formyl Mor-
pholine”; J. Chem. Soc.; Faraday Trans. I., 1989, 85(9), 2675-2682
Maddox, R.N,; “Gas and Liquid Sweetening”, 2nd Edition, Campbell Petroleum Series, April 1977
Schmidt, K.A.G.; “Solubility of Sulfur Dioxide in Mixed Polyethylene Glycol Dimethyl Ethers”; M.Sc. Thesis,
Chemical Engineering, University of Alberta, Edmonton, Canada, 1997
Xu, Y.; Schutte, R.P. and Hepler, L.G.; “Solubilities of Carbon Dioxide, Hydrogen Sulfide and Sulfur Dioxide in
Physical Solvents”; Can. J. Chem. Eng.; 70, 569-573, 1992
Physical Solvent Sweetening Plant Tutorial using

PEGDME280SM
In this tutorial a PEGDME-280SM Sweetening unit which treats 100 MMSCFD of sour Natural Gas using
PEGDME-280SM will be created. This unit closely resembles the Pikes Peak Plant described by Raney
(Raney, 1971). The process insights related to this simulation are also mostly taken from Raney’s paper.
Start a new VMGSim case, and select the PhysicalSolvent property package with the following components:
CO2, N2, C1, C2, C3, H2S and PEGDME-280SM. Switch the unit set to Field.
Due to the high cost of gas processed at Pikes Peak the plant incorporates features to minimize the methane
loss:
l Three minutes residence time in a surge tank to allow entrained methane to disengage from the rich
solvent off absorber
l Five minutes residence time and sufficient vapor disengagement area in the three flash tanks to reach
thermodynamic equilibrium
l All vapors flashed in the high-pressure flash tank are recompressed and fed to absorber inlet
l The high-pressure flash tank is operated at the lowest possible pressure consistent with recycle com-
pression capability
l Maximum cooling is provided for PEGDME-280SM and gas using power-recovery equipment
l The absorber is operated at the lowest possible temperature to minimize PEGDME-280SM circulation
In this particular plant the PEGDME-280SM CO2 loading is kept at 10 SCF/gallon or higher. The PEGDME-
280SM process performance increases as the contacting temperature is lowered, and the cooling effect from
carbon dioxide depressuring is taken advantage of through turbo-expanders and turbines.
Add a Material Stream, Feed and specify the conditions as show below.
Add a mixer M1 and connect the material stream Feed to one of its inlets. Specify the other inlet to be a recycle
port and estimate the flow to be zero and the composition to be pure methane, the temperature to be 85 F and
the pressure to be 1000 psia. These values will be recalculated when the amount of high-pressure flashing
recycle gas is determined.
M1 will solve. Connect a material stream S1 to the outlet of mixer M1 and create a heat exchanger Hx1. Con-
nect S1 to the tube side inlet of Hx1, specify the pressure drop on the shell and tube sides to be 10 psia and spe-
cify the gas outlet temperature to be 62 F, as shown below.
Connect a material stream S2 to the tube side outlet of Hx1. Now create a mixer M2 and connect one of its
inlets to S2. Specify the other inlet to be a recycle port and estimate its flow to be zero, with a temperature of 40
F, a pressure of 990 psia and a composition of pure methane. Create and connect a material stream S3 to the
outlet of mixer M2 as shown below.
This recycle is necessary to properly simulate the surge tank used to disengage methane from the rich
PEGDME-280SM solution. Your flowsheet should look like the figure below.
Estimate the lean PEGDME-280SM solution flowrate using the process specifications of a loading of at least 10
SCF/gallon of PEGDME-280SM as shown below.
1. Carbon dioxide molar flow = 4837.3 lbmol/h
2. 10 SCF/h = 2.64e-2 lbmol/h
3. 1 US gallon PEGDME-280SM / h = 3.1e-2 lbmol/h

4. 10 SCF CO2 / 1 US gallon PEGDME-280SM = 0.85 lbmol CO2 / lbmol PEGDME-280SM
5. Therefore the lean PEGDME-280SM flow rate should be 4837.3 / 0.85 = 5680.2 lbmol/h
Create a material stream called LeanPEGDME with the specifications shown below.
Now add an absorber T1 to the flowsheet. Specify 20 actual trays with a tray efficiency of 60% per tray. Specify
a top pressure of 980 psia and a bottoms pressure of 990 psia. Connect LeanPEGDME as the top feed and S3
as the bottom feed. Create material streams S5 and S6 and connect them to T1 overheadV and bottomL ports.
For S5 note the CO2 mole fraction and compare to the typical plant value of 2.8 %. We have just 0.016% of
CO2 and therefore the efficiency is too high. We will re-run the simulation using different efficiency values and
create the table show below.
Tray overall efficiency % CO2 mole fraction % in sales gas

60 0.0113
50 0.0656
40 0.327
30 1.40
20 5.06
Simple interpolation suggests that the overall tray efficiency should be approximately 26.2%. This gives a CO2
sales gas composition equal to 2.3%. Adding this new point to the interpolation a new efficiency equal to 24.1 %
is estimated and the newly computed sales gas composition is 3.0%. We will leave the efficiency estimates as
they are for now since we do not know yet the actual LeanPEGDME material stream composition.
Create a 2 phase separator and name it SurgeTank. Connect S6 to the SurgeTank inlet. The flowsheet should
now appear similar to the figure below.
Connect a material stream S7 to SurgeTank Vap port and a material stream S8 to SurgeTank Liq0 port. Con-
nect S7 to M2’s In1 port. The SurgeTank recycle will converge.
The rich PEGDME-280SM solution will now be depressurized in a high pressure hydraulic turbine. The work
made available from the PEGDME-280SM depressurization is recovered for pumping the lean PEGDME-
280SM solution. Install an expander EX1 and connect it to S8. Specify an adiabatic efficiency of 70% and an out
pressure of 345 psia, as shown below.
Create a material stream S9 and connect to the EX1 outlet. Create a 2 phase separator and name it HPFlash.
Connect S9 to HPFlash inlet. Create two material streams S10 and S11 and connect them to HPFlash Vap
and Liq0 ports respectively.
Create a compressor CP1 and connect its inlet to S10. Specify its adiabatic efficiency to be 70% and its outlet
pressure to be 1010 psia as shown in the figure below.
Create a material stream S12 and connect it to the outlet of CP1. Create a cooler C1, connect S12 to its inlet
and specify a pressure drop of 10 psia and an outlet temperature of 120 F.
Create a material stream S13 and connect it to the outlet of C1. Connect S13 to the inlet of M1 to close the high
pressure gas recycle. Your flowsheet should appear similar to the figure below.
Create an expander EX2 and connect S11 to its inlet. Specify an adiabatic efficiency of 70% and an outlet pres-
sure of 130 psia as shown below.
Create material stream S14 and a 2 phase separator named IPFlash. Connect S14 to the outlet of EX2 and the
inlet of IPFlash. Create material streams S15 and S16 and connect them to IPFlash Vap and Liq0 ports respect-
ively. Create a valve V1 and connect it to S16. Create a material stream S17 and connect it to the outlet of V1.
Specify the pressure of S17 to be 16 psia. Create a 2 phase separator named LPFLash and connect S17 to its
inlet. Create material streams S18 and S19 and connect them to LPFlash Vap and Liq0 ports respectively. The
flowsheet should appear similar to the figure below.
Create a heater H1 and connect it to S15. Specify a pressure drop of 10 psia and an outlet temperature of 120
F as shown below.
Create a material stream S20 and connect it to the outlet of H1. Create an expander EX3 and connect S20 to
its inlet. Create a material stream S21 and connect it to the outlet of EX3. Specify the adiabatic efficiency of EX3
to be 70% and its outlet pressure to be 16 psia. Create a mixer M3 and combine S18 and S21. This is the gas
product being sent to the vent stack. Create a material stream called VentStack and attach it to the outlet of M3.
We are now ready to create the lean PEGDME-280SM pumping system. Create a pump P1 and attach it to
S19. Create a material stream S22 and attach it to the outlet of P1. Create an energy stream Q1 and connect it
to EX1. Connect Q1 to the energy port of P1. Finally specify an efficiency 75% for P1. Now create pump P2 and
connect its inlet to S22. Create a material stream S23 and specify the efficiency of P2 to be 75%. Create an
energy stream C2 and connect it to the EX2 energy port. Finally connect Q2 to P2’s energy port.
Create a pump P3 and connect its inlet to S23. Create a material stream S24 and connect it to the outlet of P3.
Specify the efficiency of P3 to be 75%. Create an energy stream Q3 and connect it to the EX3 energy port. Con-
nect Q3 to the energy port of P3. Note that the calculated pressure of P3 is approximately 895 psia. An extra
pump is needed to get the fluid up to 990 psia, necessary to pump the lean PEGDME-280SM solution back to
the absorber.
Create a material stream S24 and connect it to the outlet of P3. Create a Pump P4 and connect its inlet to S24.
Specify an efficiency of 75% for P4, and the out P to be 990 psia.
Create a material stream S25 and connect it to the outlet of P4. Create a cooler C2 and connect its inlet to S25.
Specify C2’s Out port pressure to be 980 psia and its temperature to 21 F.
Connect S5 to to Hx1 InShell port.

Create a material stream called SalesGas and connect it to Hx1 Shell side outlet. The complete flowsheet is
shown below.
Add a stream S26 and connect it to the outlet of C2, create a mixer M4 and connect C2 to one of the inlets.
Create a stream PEGDME_MakeUp and connect it to the other inlet of mixer M4, create a Excel unit op XL1
where the flow of this stream is going to be calculated.Create a table like the following,
Import the molar flow of PEGDME-280SM from the Sales gas stream using copy connection, and then paste
connection in Excel.
Do the same for VentStack stream, sum both values in Excel and copy connection the cell that contains the
sum, and paste this connection in the Mole Flow of PEGDME_MakeUp.
Connect Lean PEGDME to the outlet of M4. The flowsheet will converge and should appear similar to the flow-
sheet show below.
Pikes Peak Final flowsheet

It is convenient to compare the sales gas material balance results for the SalesGas stream, as shown in the
table below.
Component Typical Plant, lbmol/h VMGSim Simulation, lbmol/h

CO2 170.6 178.68
N2 64.8 64.54
C1 5870.6 5915.84
C2 49.3 37.8
C3 4.5 6.53
H2S 0.03 0.04
This example can be found in the Examples folder, file Flowsheeting Examples\pikespeakManual.vmp
Bibliography
Raney, D.R.; “Remove carbon dioxide with Selexol”; Hydrocarbon Processing, April 1976
Coke Gasification to Ammonia Base Case

In this exercise we will examine how VMGSim’s physical solvent modeling capabilities can be used to perform
material and energy balances in a hydrogen purification unit using the PEGDME-280SM solvent.
Introduction
Feed gas with composition defined in table 1 is to be treated to generate products with specifications defined in
table 2.
Component Mole %
Hydrogen > 50%
Carbon Dioxide > 40%
H2S and COS > 0.5%
CH4, CO and inerts > 2.0%
Feed Flowrate > 150 MMSCFD
Pressure > 500 psia
Temperature 100 F
Table 1Feed gas to Absorption Unit
Hydrogen Product
Flowrate 75 MMSCFD
Purity 99.3 %
CO content 5 ppm
H2O content 1 ppm
Sulfur content 5 ppb
CO2 Product
Flowrate 11 MMSCFD
Purity 99%
Sulfur Content 1 ppm
Table 2Product specifications
The goal of this process is to produce hydrogen necessary to feed an ammonia synthesis plant as well as car-
bon dioxide for a urea plant. The feed for the facility is provided a petroleum coke gasification facility, not
included in this study.
The original paper omits the necessary details to reproduce exactly the plant being modeled, for example,
actual operating pressures and contacting temperatures are not reported. Therefore we will assume operating
temperatures dictated by practical characteristics of the PEGDME-280SM such as its viscosity. The process
will be assumed to happen at 500 psia, and specialty unit operations such as the PSA unit used to purify hydro-
gen for the ammonia synthesis section will be modeled as component splitters.
Feed Setup
Start VMGSim and select the Acid Gas Treating Physical solvent in the Chemical System Categories as shown
below.
Click on the Components tab
Add Hydrogen, Carbon Dioxide, H2S, COS, C1, CO, Water and PEGDME-280SM as shown below.
Click OK
Now create a material stream named GasFeedDry. Specify its conditions as shown below.
Add a saturation unit operation as shown below. Specify the SaturateWith port composition to be pure water.
VMGSim will automatically saturate the gas with water as shown below.
For the time being we will specify a flowrate of 150 MMSCFD in the Saturated port, and the feed is ready for
simulation.
H2S Absorption Section
We will start the simulation with the H2S absorption section. Specify a material stream as shown below. Make
sure you make it a recycle stream. Note that this stream is pre-saturated with CO2 to maximize the H2S pickup
while minimizing the CO2 pickup.
Create an absorber with 20 ideal trays, 500 psia constant pressure profile and hook up the material stream
DrumRecycle as the top feed and the Saturation port from the saturation unit operation as the bottoms feed
using a material stream named GasFeed. Name this absorber H2SAbsorber. Create a material stream named
PEGDME-280SMCO2Preloaded as shown below.
Create a mixer and connect PEGDME-280SMCO2Preloaded to one of its In ports and the gas product of
H2SAbsorber to the other In port. Your flowsheet will look like the figure below.
Create a cooler unit operation and connect its Inlet to M1’s Outlet. Specify no pressure drop and an outlet tem-
perature of 21 F. Connect the Outlet of cooler C1 to a two phase separator. Create a material stream named
CO2ToAbsorber and connect that to Sep1 vapor port. Connect DrumRecycle to Sep1 liquid port. Your flow-
sheet will look like the figure below.
Create a material stream named RichH2S and connect it to the liquid port of H2SAbsorber. Connect a valve to
RichH2S and specify an outlet pressure of 400 psia. Connect a separator Sep2 to V1 outlet. Create a mixer M2
and connect it to the vapor port of SEP2. Create a mixer M3 and connect it to the liquid port of SEP2 as shown
below.
Specify the free In port of M2 to be a recycle port as shown below.
Create a separator Sep3 and connect it to M2’s Out port. Connect Sep3’s liquid port to M3’s free In port. Sep3
works as a vent scrubber. Create a heat exchanger Hx1 and connect it’s In port to M3’s Out port as shown
below. Specify the pressure drops in Hx1 both Out ports to be zero and specify Hx1’s OutTube temperature to
be 230 F. Add a valve V2 and connect its In port to Hx1’s OutTube out port. Specify the letdown pressure to be
200 psia.
Create a separator Sep4 and connect it to V2’s out port. Create a component splitter and name it AGE_Unit.
Connect the vapor port of Sep4 to AGE_Unit as shown below.
Specify the AGE unit as shown below.
AGE stands for Acid Gas Enrichment unit and is used to produce Claus quality feeds. Connect the CO2 rich out
port of AGE_Unit to a material stream and name it ToHPFlashOxidizer.
Create a distillation tower and name it H2SStripper with the specifications shown below.
Set the damping factor to 0.3 in the Convergence tab and press the Solve button.
Connect the bottoms of H2SStripper to a material stream named H2SLeanPEGDME-280SM. Connect this
material stream to the ShellIn port of Hx1.
Create a pump P1 and connect its in port to Hx1 ShellOut port. Set P1’s efficiency to 75% and specify P1’s out
pressure to be 500 psia.
Create a cooler C2 and connect its in port to P1’s out port. Specify a pressure drop of zero and an outlet tem-
perature of 21 F.
Create a splitter SP1 and connect its In port to C2’s out port. Create a material stream named PEGDME-
280SM Slip and connect it to one of the out ports of SP1. Create another material stream and name it
CO2LeanPEGDME-280SM. Connect both material streams to SP1’s out ports as shown in the figure below.
Specify PEGDME-280SM Slip to be 100 lbmol/h.
Now connect PEGDME-280SM Slip to M2’s remaining in port that was specified as a recycle port. Create a
material stream named ToThermalOxidizer and connect it to the vapor port of Sep3.
Connect the vapor port of H2SStripper to the remaining out port of the AGE unit using mixer M4. Create a
material stream named AcidGas and connect it to M4’s out port. This concludes the H2S absorption section.
The flowsheet will look like the figure below.
CO2 Absorption Section

Create an absorber and name it CO2Absorber. Set its number of ideal stages to 20 and connect CO2ToAb-
sorber to its vapor feed and CO2LeanPEGDME-280SM to its liquid feed. Set the pressure profile to 500 psia.
Run the absorber.
Create a material stream names ToPSAUnit and connect it to CO2Absorber vapor out port. Create a splitter
named PSAUnit and connect its in port to ToPSAUnit material stream. Specify its operating parameters as
shown below.
Create a material stream named HydrogenProduct and connect it to PSAUnit out port rich in hydrogen. Create
another material stream and name it ToTailUnit. Connect this material stream to remaining out port of PSAUnit.
Create a splitter named SP2 and connect it to CO2Absorber liquid out port. Create a material stream named
ToCO2Sep and connect it to one of SP2’s out ports. For the time being specify its flow to be 4500 lbmol/h.
Add a heater H1, specify its out port temperature to be 110 F and set the pressure drop to be zero. Connect H1
In port to ToCO2Sep. Create a separator Sep5 and connect it to H1’s out port. Create a material stream named
ToPSARecycleCompressor and connect it to Sep5’s vapor port.
Create a valve V3 and connect it to Sep5 liquid port. Specify it’s out pressure to be 330 psia. Create a separator
Sep6 and connect it to V3’s out port. Create a material stream named ToThermalOxidizer and connect it to
Sep6 vapor port.
Create a valve V4 and connect it to Sep6 liquid port. Specify it’s out pressure to be 50 psia. Create a separator
Sep7 and connect it to V4’s out port. Create a material stream named ToUreaPlant and connect it to Sep7
vapor port.
Create a valve V5 and connect it to Sep7 liquid port. Specify it’s out pressure to be 14.7 psia. Create a sep-
arator Sep8 and connect it to V5’s out port. Create a material stream named AtmVent and connect it to Sep8
vapor port.
The connections will look like the figure below.
Create a controller CN1 with settings shown below.
This controller will determine the amount of PEGDME-280SM rich solution that needs to be treated to provide
the feed to the urea plant.
Create a pump P2 and specify its efficiency to be 75% and its out pressure to be 500 psia. Connect P2’s in port
to Sep8 liquid port.
Create a cooler C3 and set its pressure drop to zero and its out temperature to 21 F.
Double click on CO2Absorber and add a new feed. Specify this feed as an estimate as shown below.
This concludes the CO2 recovery section.
PEGDME-280SM Recycle to H2S Absorber
Connect C3’s out port to CO2Absorber’s new feed.
Create a material stream named ToH2SAbsorber and connect it to the remaining out port of SP2. Create a
cooler C4. Set its pressure drop to zero and its out temperature to 21 F.
Create a material stream named PEGDME-280SMMakeup. Specify its pressure to be 500 psia and its tem-
perature to be 21 F. Specify its composition to be pure PEGDME-280SM.
Create an Excel unit operation:

l Import the component molar flow rate of PEGDME-280SM in PEGDME-280SMCO2Preloaded
l Import the component molar flow rate PEGDME-280SM in ToH2SAbsorber
l Subtract the two values and you will get the amount of PEGDME-280SM that needs to be added in the makeup.
l Export the value of this cell as the material stream PEGDME-280SMMakeup mole flow.
Create a mixer M5 and connect PEGDME-280SMMakeup and the out port of C4 to it.
Double click on PEGDME-280SMCO2Preloaded.
Change the In port to a Recycle port.
Connect the in port of PEGDME-280SMCO2Preloaded to M5’s out port.
This completes the case.
Check Points
Hydrogen Product Purity
The original splits set in the PSA unit splitter produce H2 that’s too pure. You may want to consider changing
the H2 split to 0.99, the CO2 split to 0.015 and the C1 split to 0.01. These numbers are really dependent on the
performance of the PSA unit and should be adjusted accordingly. You will also notice that the H2 production
rate is above the desired value, you may want to adjust the GasFeed to match the desired H2 production.
CO2 production to Urea plant

The flow of CO2 is determined using the controller CN1 and it is correct. We also need to check the CO2 purity
and it is 99% as desired. Note that the depressurization sequence for CO2 recovery can be optimized.
Pressure drops
As an exercise, revisit the flowsheet and set the appropriate pressure drops for the different unit operations.
Towers
The H2S and CO2 towers look over designed, especially H2SAbsorber compared to CO2Absorber. What do
you think?
Bibliography
Brekenridge, W.; Holiday, A.; Ong, J.O.Y. and Sharp, C.; “Use of SELEXOL® Process in Coke Gasification to
Ammonia Project”; Paper presented at the Laurance Reid Gas Conditioning Conference; February 27 – March
1, 2000; The University of Oklahoma, Norman, Oklahoma.
Gas Dehydration Using CoastalAGR Base Case

In this exercise we will examine how VMGSim’s physical solvent modeling capabilities can be used to perform
material and energy balances in a gas dehydration unit using the COASTAL-AGR® solvent.
Introduction
Feed gas defined in the figure below is fed into a contactor using the COASTAL-AGR solvent. It is desired to
keep the CO2 content in treated gas equal to 0.29 mole percent for comparison purposes against the actual
plant.
Simulation
Start VMGSim and select the Acid Gas Treating Physical solvent in the Chemical System Categories as shown
below.
Click on the Components tab and add H2S, Methyl Mercaptan, CO2, N2, C1, C2, C3, iC4, nC4, iC5, nC5, C6,
C7, C10, Water and COASTAL-AGR. Specify a material stream named FeedGas as shown in the Introduction
section. Create a material stream named Coastal-AGR Recycle and specify is as shown below.
Note that the Coastal-AGR Recycle stream must be a recycle stream, to make a stream into an recycle simply
type a ‘ ~ ‘ in front of one of the values entered. For example ~25 instead of 25, for a temperature value.
Create an absorber and name it Dehydrator, set its pressure profile to 600 psia and 5 ideal trays. Connect
FeedGas to its in vapor port and Coastal-AGR Recycle to its in liquid port. Solve the absorber. Create a mater-
ial stream named GasProduct and connect it to Dehydrator vapor out port.
Create a material stream S2 and connect it to Dehydrator out liquid port. Create a valve V1, connect S2 to V1
and specify V1 out pressure to be 106 psia. Create a material stream S3 and connect it to V1’s out port.
Create a separator Sep1 and connect its in port to S3’s out port. Create a material stream S4 and connect it to
Sep1 vapor port. Create a material stream S5 and connect it to the liquid outlet of Sep 1. Create a valve V2 and
connect S5 to its in port and specify V2 out pressure to be 16 psia. Create a material stream S6 and connect it
to V2 out port.
Create a separator Sep2 and connect its in port to S6. Create a material stream S7 and connect it to Sep2
vapor port. Create a material stream S8 and connect it to Sep2 liquid port. Create a valve V3 and connect its in
port to S8. Specify V3 out pressure to be 3 psia. Create a material stream S9 and connect it to V3 out port.
Create a separator Sep3 and connect its in port to S9. Create a material stream S10 and connect it to Sep3
vapor port. Create a material stream S11 and connect it to Sep3 liquid port.
Create a mixer M1 and connect S11 to one of its in ports. Create a material stream named Coastal-
AGRMakeup and specify its temperature to be 70 F, pressure 1 atm and set its composition to be pure
COASTAL-AGR.
Create a material stream S12 and connect M1 out port to P1 in port.
Add a pump P1 and set its efficiency to 0.75 and its out pressure to be 605 psia. Add a cooler C1 and set its pres-
sure drop to zero and its out temperature to 25 F
Connect the outlet of P1 to the inlet of C1 using a stream.
Create a Mixer M2, add a inlet port so that it has 3 inlets, connect S4, S7 and S10. Create a Stream ToCom-
pressor and connect it to the outlet of M2.
Create an Excel Unit Operation, this will be used to calculate the Coastal-AGR make up rate.
l Import the component molar flow of Coastal-AGR in the Gas Product stream
l Import the component molar flow of Coastal-AGR in the ToCompressor stream
l Add the two imported Coastal-AGR component molar flows
l Export this summation as the mole flow of the Coastal-AGRMakeup stream
l
Note that you can use Copy Connection/Paste Connection to import/export values between VMGSim and the
Excel Unit Operation.
Connect the Coastal-AGRRecycle Stream to the outlet of the C1 to close the solvent recycle loop.
Note you may need to increase the Max Recycle Iterations.
Add a controller CN1 to adjust the Coastal-AGR Recycle molar flow rate in order to achieve the desired CO2
concentration in the Gas Product stream. Configure CN1 as shown below.
The flowsheet will converge in a few iterations. The complete flowsheet is shown below and a comparison
between plant and simulation is shown in table 1.
Component OutletGas - Plant Mole % OutletGas - VMGSim Mole %

H2S -- 6.6 e-5
Methyl Mercaptan 0.00012 1.3 e-4
CO2 0.29 0.290
N2 0.88 0.922
C1 93.02 93.899
C2 5.33 4.109
C3 0.35 0.659
iC4 0.02 0.031
nC4 0.07 0.066
iC5 0.002 0.002
nC5 0.016 0.014
C6 0.003 0.002
C7 0.003 0.002
C10 0.000 0.001
Water 0.001 0.002
Table 1. VMGSim simulation versus plant data
This example can be found in the Examples folder, file Flowsheeting Examples\De-
hydrationwithCoastalAGR.vmp
Bibliography
Epps, R.; “Use of Selexol Solvent for Hydrocarbon Dew Point Control and Dehydration of Natural Gas”; Paper
Presented at the Laurance Reid Gas Conditioning Conference; February 28, March 2, 1994, Norman,
Oklahoma
Claus Plant Modeling

Claus Plant Modeling with VMGSim
Introduction
The objective of the Claus process is the recovery of sulfur from gaseous streams rich on hydrogen sulfide. A
typical use of the Claus process is the processing of sour gases produced from regenerating rich amine solu-
tions used for the sweetening of natural gases. The effluent gases from the Claus process are usually without
value and are vented to the atmosphere after incineration of residual sulfur containing compounds to sulfur diox-
ide.
Due to strict air pollution regulations associated with the discharge of sulfur containing compounds to the atmo-
sphere, Claus plants are often mandatory accessories of gas desulfurization plants and therefore a significant
part of gas purification technology. In addition, the Claus process yields good quality sulfur and is an important
source of this basic chemical (Kohl and Riesenfeld, 1974).
Basic Chemistry
The chemical removal of sulfur containing compounds by oxidation is simple and in the case of hydrogen sulfide
it can be represented by the following reactions (Kohl and Riesenfeld, 1974):
The rates of reactions above are too low at ambient temperatures to be useful in an industrial desulfurization
process. Acceptable rates are obtained at high temperatures, usually in the presence of a catalyst.
Reaction 1 is highly exothermic and hard to control. In order to overcome process difficulties a modification to
the Claus process was introduced in 1936 in which the overall desulfurization reaction 1 was separated into a
highly exothermic thermal or combustion reaction section where most of the enthalpy of reaction (from com-
busting approximately 1/3 of the hydrogen sulfide and essentially all hydrocarbon gases and other combustible
material in the feed) is released and removed, and a subsequent section where the moderately exothermic reac-
tion 4 happens over a catalyst bed and the SO2 formed in the combustion section reacts with the remaining
H2S to form elemental sulfur (GPSA, 1998). The catalyst used in the Claus process is either natural bauxite or
alumina shaped into pellets or balls (Kohl and Riesenfeld, 1974).
Reactions 1-4 form a simplified picture of the reaction system. The equilibrium composition in gas phase is com-
plicated by the existence of several sulfur molecules ranging from S2 to S8. In addition, side reactions also hap-
pen between H2S and CO2 to form carbonyl sulfide (COS), carbon disulfide (CS2), carbon monoxide (CO)
and hydrogen amongst other by-products.
Thermodynamic Model
The thermodynamic modeling for Claus processes is reasonably straightforward as long as the presence of mul-
tiple sulfur species in the vapor phase is taken into account, as well as proper modeling of liquid sulfur physical
properties is taken into account. Since the representation of all possible reactions in the Claus furnace and
Claus catalytic converters using equilibrium constants is not practical, a Gibbs free energy minimization pro-
cedure is necessary and therefore accurate ideal gas Gibbs free energies of formation for important species
encountered in the Claus process are required over a large temperature range. The VMG Claus property pack-
age provides very accurate ideal gas Gibbs free energy of formation for the following compounds, from 298.15
to 3000 K: S, S2, S3, S4, S5, S6, S7, S8, CO, CO2, SO2, SO3, H2O, H2S, NH3, COS, CS2, C1, C2, C3, iC4,
nC4, iC5, nC5, C6, C7, C8, C9, C10.
The Claus property package assumes ideal gas behavior for the vapor phase and an activity coefficient model
for the liquid phase, equation 5.
Equilibrium Calculations
The computation of accurate thermodynamic equilibrium in the thermal and catalytic sections of the Claus plant
is an important step for the proper modeling of the overall process. VMGSim uses a rigorous Gibbs free energy
minimization procedure to calculate the thermodynamic equilibrium of the system avoiding the use of defined
chemical reactions.
The fundamentals of VMGSim’s Gibbs reactor is provided in VMGSim’s User’s Manual.
Claus Unit Operations

A detailed write up of the individual Claus unit operations can be found in the Claus Ops heading in the unit oper-
ation section of the manual.
Nomenclature
A - mole fraction of H2S in the acid gas feed on a dry basis.
f - fugacity
x - mole fraction
Subscripts
i - component index
Superscripts
l - liquid phase
o - reference state
Bibliography
GPSA, “Engineering Data Book 11th Edition – FPS”; Gas Processors Suppliers Association, Tulsa, Oklahoma,
1998
Riesenfeld, F.C. and Kohl, A.L.; “Gas Purification 2nd Edition”; Gulf Publishing Company, Houston, Texas,
1974
Claus Plant Tutorial

This tutorial covers a 100 long ton / day Claus plant example provided in the GPSA handbook (GPSA, 1998).
Start a new VMGSim case, and select a Claus property package with the following components: H2S, CO,
CO2, H2, H2O, C1, S, S2, S6, S8, O2, N2, SO2 CS2, and COS. Switch the unit set to Field.
Add a Material Stream named Sour Feed and specify the conditions as show below.
Now calculate the amount of air necessary for the combustion of 1/3 of the Hydrogen Sulfide and all of the
hydrocarbon traces in the feed. The necessary chemical reactions are defined by the following 2 equations.
This is easily done using the Claus Oxygen Calculator. Start by creating an Air material stream and specify its
pressure to be 20.7 psia and its temperature to be 77 F with a composition of 21 mol% O2 and 79 % mol% N2.
Now create a ClausOxygenCalculator unit operation, rename it to be AirCalculator. Connect both the Sour
Feed and Air material stream to the appropriate inlet streams of the ClausOxygenCalculator. Create and con-
nect two additional material streams to the Out ports of ClausOxygenCalculator. Finally specify the H2S Frac-
tion To Burn Parameter to be 0.3333, the ClausOxygenCalculator should solve and appear as shown below.
The air must now be saturated with water. Create a SaturationOP and connect Air_to_Sat to the MainFeed
port. Now create a material stream named Saturation_Water and set the temperature to be 77 F and the Pres-
sure to be 20.7 psia with a composition of 100% water. Connect Saturation_Water to the SaturateWith Port,
the SaturationOp should solve. Create another material stream named Air to Furnace and connect it to the Sat-
urated port of Sat1. The combustion air is fully defined now.
Add a mixer (M1) and combine the material streams Sour Gas to Furnace and Air to Furnace to create the feed
to the Claus furnace. Create a Claus Reaction Furnace and connect Furnace Feed to it’s inlet. The flow sheet
at this point will appear similar to the figure below.
The Claus furnace will calculate immediately and the adiabatic operating temperature is approximately 2015 F.
The results are shown below.
Note that the results may not match the GPSA example as the Quench Temperature methods are not being
used. Instead, the Claus Reaction Furnace is using the methods developed by SRE from actual field test data.
More information about these methods is located in the specific Unit Operations sections in the Manual.
The calculated H2S conversion is approximately 85% after the furnace.
Now add a waste heat boiler to cool the reaction products to 700 F and generate steam at 250 psig. Create a
ClausWasteHeatBoiler and connect its inlet to the outlet of the Claus Reaction Furnace (using a material
stream), specify an OutT of 700 F. The calculated heat duty is 19.07 MM BTU/h. Note that it is important to
model the cooling after the furnace using the ClausWasteHeatBoiler since there’s significant heat evolved from
the changes from S2 to other sulfur forms that exist at lower temperatures.
To determine the amount of steam raised in the waste heat boiler, create a heater H1 and connect the heat duty
from the waste heat boiler to its Energy port. Create a material stream named 250 psig water and specify it’s in
port to be pure liquid water at 251 psig and 77 F. Connect 250 psig water to the import of H1. Specify H1’s out
port vapor fraction to be 1. Finally specify the pressure drop in H1 to be 1 psia. The amount of steam at 250 psig
will be automatically calculated. Create a material stream named 250_psig_steam and attach it to H1’s out port.
The flow sheet at this point will appear similar to the figure below.
It is important to check for sulfur condensation. This can be done by enabling a ClausSulfurDetail in the stream
after the waste heat boiler. Create a Stream and connect it to the outlet of the waste heat boiler. Open the
From_WHB stream and navigate to the Sulfur Detail tab then check the Active Sulfur Detail. This will enable
the Claus Sulfur Details calculations and the form will appear similar to the following figure.
Note that the dew point temperature is lower than the current stream temperature therefore sulfur should not
condense in this stream.
Now create a ClausCondenser and rename it to Condenser-1. Specify an OutT of 350 F. Note that sulfur will
now condense. Create 2 material streams named ToReheater-1 and ToSulfurPit-1 and attach them to the
vapor and liquid outlets of Condenser-1, respectively
Now proceed with the creation of the catalytic conversion section of the plant. Create a ClausHeater and
rename it Reheater-1, and connect ToReheater-1 to it’s inlet. Create a new material stream and rename it
ToBed-1 and connect it to the outlet of Reheater-1. Create a ClausConverter, Bed-1, attach ToBed-1 to its
inlet. Create a second ClausCondenser and specify it’s OutT to be 300 F. Connect the outlet of Bed-1 to the 2nd
ClausCondenser using a material stream. Create 2 material streams named ToReheater-2 and ToSulfurPit-2
and attach them to the vapor and liquid outlets of Condenser-2 respectively. The flow sheet will appear as
below.
In order to solve the flow sheet up to Condenser-2 an inlet temperature for the converter bed must be specified.
The GPSA example determines the inlet temperature to the first bed by estimating the conversion over the first
bed along with the sulfur content in the inlet to the bed to get a partial pressure of sulfur which is then used to
estimate the dewpoint temperature. 30 F of superheat is added to this and is used as the inlet temperature to
the bed. This can be accomplished in VMGSim by making use of the MinimumDewPointMargin signal port avail-
able in the ClausConverter unit operation. This parameter is the difference between the temperature and the
dew point temperature on a conversion basis in the converter. Meaning, the margin of superheat in the inlet
stream can be directly adjusted using a controller whose PV is the MinimumDewPointMargin and whose OP is
the OutT of Reheater-1.
Note: The approach used in VMGSim does not make the assumptions given in the original GPSA example so
the reheater duties and outlet temperatures of the converters may differ.
Add a controller unit operation and set the PV to be the MinDewPointMargin of Bed-1. Next set the OP to be
the temperature of To Bed-1.
Finish specifying the controller by adding a SP value of 30 °F (30 °F superheat), an initial temperature estimate
of 400 °F, OP min of 200 °F, OP Max of 500 °F and a step size of 100 °F. This will cause the controller to solve.
The controller and the converter will appear as shown below:
At this point, repeat the steps to add as many reheaters and catalytic converters as desired to achieve the sulfur
removal. In this example, a second converter is added. For Reheater-2, specify the OutT with a controller that
controls the 30 °F superheat margin in Bed-2 using the same steps given above for Reheater-1. Set the OutT of
Condenser-3 to be 250 °F. The flow sheet will appear as shown below.
Create a ClausSulfurPit operation. Change the number of inlets to 3. Set the Acid Gas Reference stream to
Sour Feed by selecting it from the Reference AG Stream pull down in the Main Data Frame.
Create a material stream Sweep Gas and define it as below, and connect it to the Sweep Gas inlet.
Once the Sweep Gas stream is connected, the Sulfur Pit will calculate both the individual stage and cumulative
stage recoveries, as shown below.
The completed flowsheet will appear as below.
In this example we have a H2S removal efficiency of ~ 93.3% using 2 catalytic converters.
Bibliography
GPSA, “Engineering Data Book 11th Edition – FPS”; Gas Processors Suppliers Association, Tulsa, Oklahoma,
1998
Release Notes
VMGSim is actively being developed and is distributed through major releases that include several new fea-
tures and bug fixes and also through update versions with specific bug fixes or enhancements. A version is iden-
tified by two numbers separated by a period and a build number. For example, VMGSim 6.5 build 45.
Any changes in the version number refer to a major release and any changes to a build number refer to a hand-
ful of bug fixes or new features. VMGSim simulation cases can always be opened in newer versions but not in
older versions.
To review the specific development history of the program including the specific version and build number when
a feature was included or a bug was fixed open VMGSim and in the Help menu select "Release Notes ..."
Index
A
Air Cooler 149, 186, 312, 330, 394, 662, 664, 668, 672, 681, 685, 697, 703, 1338, 1478, 1704, 2020
Amines 149, 211, 230, 415, 470, 1056, 1524, 1530, 1535, 1554, 3128, 3450, 3460, 3545
Balance Op 708
Case Study 366, 682, 1075, 2053, 2448, 2784, 2788, 2841, 2845, 2856, 2862, 3054, 3338, 3397
Claus
Condenser 717, 722, 847, 862
Converter 727, 735, 867
Cooler 740, 744, 834, 888, 916, 1041
Direct Fired Heater 747, 752, 813, 904, 1006
General 213, 722, 735, 744, 752, 758, 768, 782, 789, 807, 816, 822, 840, 862, 3473, 3548
Heater 754, 758, 915
Hydrogenator 761, 768, 931
Mixer 772, 775, 950
Oxidation Converter 777, 783, 960
Oxygen Calculator 785, 789, 979, 3549
Reaction Furnace 792, 807, 983, 3551
Reducing Gas Generator 812, 816, 1005
Sulfur Detail 818, 822, 1015
Sulfur Pit 825, 1022
Waste Heat Boiler 832, 840, 1040
Component Splitter 1050, 1052, 1057-1058
Compressor 56, 75, 149, 243, 310, 397, 478, 625-626, 633, 658, 1062, 1071, 1079-1080, 1920, 2052, 2062, 2099,
2779, 3147, 3161, 3508
Controller 149, 322, 478, 485, 534, 563, 1076, 1084, 1100-1101, 1109, 1114, 1233, 1518, 1527, 1537, 1944, 2020,
2059, 2075, 2090, 2127, 2331, 2513, 3134, 3486, 3532, 3542, 3555
Cooler 40, 44, 49, 82, 149, 186, 256, 299, 330, 394, 477, 546, 633, 662-663, 668, 672, 681, 685, 697, 703, 740,
745, 834, 889, 906, 916, 1007, 1042, 1106, 1127-1128, 1132, 1136-1137, 1156, 1206, 1275, 1338, 1369,
1384, 1478, 1562, 1704, 1714, 2020, 2048, 2063, 2437, 2799, 3146, 3475, 3509, 3523, 3541
Cross Connector 201, 213, 405, 1152, 1161, 1166
Distillation Curve 149, 1170-1171, 1178, 1183-1184, 1955, 2170, 2964, 2997, 3011, 3034, 3052, 3082, 3092,
3114, 3194, 3243, 3266-3267, 3284, 3317, 3341, 3349, 3424
Dynamics 158, 441, 477, 480, 502, 509, 521, 550, 563, 573, 589, 595, 602, 618, 626, 635, 844, 862, 867, 888, 904,
915, 931, 950, 960, 979, 983, 1005, 1015, 1022, 1040, 1058, 1080, 1114, 1136, 1166, 1183, 1198, 1299,
1368, 1398, 1513, 1545, 1600, 1630, 1676, 1687, 1695, 1811, 1878, 1884, 1916, 2175, 2200-2201, 2228-
2229, 2258, 2299, 2321, 2327, 2350, 2399, 2482, 2501, 2513, 2579, 2594, 2675, 2698, 2746, 2951
Ejector 149, 1190, 1195
Electric Motor 1092, 1198, 1316, 1929
Energy Stream 153, 192, 663, 1051, 1059, 1128, 1156, 1204, 1206, 1243, 1296, 1361, 1909, 1979, 2134, 2202,
2259, 2521, 2586, 3182, 3452, 3512
Envelope 149, 406, 437, 478, 708, 1100, 1216, 1285, 1420, 1548, 1753, 1783, 1843, 3063, 3304, 3339, 3355
Excel Unit Op 194, 340, 796, 987, 1238, 1262, 1530, 1535, 2869, 3476, 3512, 3534, 3542
Expander 149, 478, 1070, 1092, 1248, 1289, 1296, 1299, 1929
Gas Orifice Meter 1678, 1688
Gibbs Curve 1352, 1356
Heat Exchanger 225, 296, 547, 672, 693, 877, 939, 968, 994, 1127, 1136, 1156, 1206, 1348, 1360, 1368, 1384,
1386, 1394, 1398, 1432, 1437, 1461, 1467, 1476, 1480, 1496, 1499, 1591, 1612-1613, 1625, 1630, 1640,
1644, 1656, 1704, 1764, 1855, 2098, 2150, 2437, 2522, 2778, 3202, 3466, 3503, 3525
Heater 394, 477, 546, 697, 747, 752, 754, 758, 813, 904, 915, 1006, 1156, 1206, 1324, 1326, 1346, 1360, 1365,
1368, 1384, 1626, 1704, 2372, 2380, 2437, 2550, 2789, 3149, 3172, 3200, 3511, 3531
Hydrate 150, 326, 359, 453, 458, 1217, 1228, 1504, 1509, 1513, 1819
Liquid-Liquid Extractor 1516, 2594
Mixer 53, 78, 230, 291, 339, 477, 517, 576, 607, 772, 775, 950, 1233, 1524, 1535, 1539, 1593, 1597, 1600, 1879,
2051, 2098, 2127, 2502, 3107, 3173, 3200, 3474, 3502, 3522, 3542, 3551
Model Regression 155, 1522, 1951, 2011, 2029, 2068, 2082, 2094, 2102, 2171, 2789, 2926, 2938, 3248, 3255,
3267, 3281, 3320, 3446
Oil Characterization 426, 459, 1154, 1555, 2788, 2957-2958, 2995, 3005, 3030, 3039, 3058, 3065, 3081, 3086,
3097, 3103, 3113, 3121, 3152, 3172, 3193, 3243, 3255, 3266, 3339, 3354, 3365-3366
OPC
Client 1662
Server 1662, 2946
Optimizer 2868, 2888, 2910, 2918, 2926
Overall Balance 1701, 2760
Pipe Segment 161, 516, 565, 598, 607, 836, 1344, 1444, 1545, 1569, 1604, 1679, 1688, 1720, 1773, 1788, 1811,
1941, 2021, 2089, 2133, 2161, 2259, 2304, 2505, 2878
Process Calculator 1508, 1530, 1539, 1869, 1878-1879, 1884, 2784, 2790
Property Table 1895, 1899
Psychrometric 150, 1902, 1905
Pump 150, 231, 500, 1064, 1537, 1805, 1908, 1914, 1916, 2527, 2565, 2571, 2879, 2920, 3144, 3177, 3199, 3475,
3512, 3528, 3541
Reactor
Conversion Reactor 1967, 1973, 2175, 2200, 3107
CSTR 149, 477, 1977, 1987, 1993, 2138, 2201, 2228, 2583
Equilibrium Reactor 1986, 1996, 2006, 2047, 2099, 2144, 2236, 2257, 2583, 3106, 3134
Ethylene Cracker 2014, 2030, 2164
Fischer Tropsch Reactor 2037, 2046
Fuel Cell 2085, 2097
Plasma Gasification 2105, 2121
Plug Flow Reactor 150, 477, 1981, 2132, 2153, 2258
Relief Valve 477, 570, 579, 586, 592, 603-604, 615, 2291-2292, 2296, 2299
Saturation Operation 150, 2313, 2315, 2318, 2321-2322, 3550
Scheduler 150, 576, 579, 615, 656, 715, 2329, 2332
Selector Block 1115, 2337, 2345, 2350, 2357, 2514, 2869, 2882, 2906, 2919
Separator 53, 95, 150, 222, 282, 454, 479, 522, 570, 589, 592, 607, 628, 636, 659, 881, 908, 943, 952, 971, 980,
998, 1007, 1018, 1043, 1097, 1107, 1321, 1411, 1605, 1691, 1861, 1935, 2048, 2062, 2178, 2203, 2232,
2285, 2287, 2305, 2323, 2358, 2362, 2364, 2387, 2395, 2398-2399, 2498, 2506, 2587, 2686, 2729, 2835,
2840, 2852, 2861, 3134, 3146, 3172, 3203, 3362, 3366, 3396, 3461, 3507, 3523, 3539
Set 330, 2429, 2432
Signal Stream 2126, 2435, 2437
Special Properties 1557, 2145, 2266, 2462, 2477, 2482
Splitter 477, 517, 1050, 1056, 1058, 1439, 1601, 2052, 2099, 2497, 2499, 2501, 3131, 3200
Surge Controller 1084, 2513
Tower
Absorber 149, 221, 304, 1537, 2550, 2583, 2594-2596, 2606-2607, 2619-2620, 3131, 3176, 3208, 3447, 3466,
3501, 3538
Distillation Column 154, 859, 885, 901, 912, 928, 947, 957, 976, 1002, 1012, 1037, 1047, 1096, 1149, 1320,
1381, 1410, 1609, 1695, 1866, 1933, 2054, 2197, 2225, 2254, 2279, 2310, 2426, 2510, 2567-2568, 2579,
2650, 2690, 2721, 2899, 3214
Distillation Section 516, 565, 2579, 2594
Reboiled Absorber 154, 304, 2550, 2606-2607, 3131
Refluxed Absorber 154, 2550, 2595-2596, 2611, 3176, 3208
UtilityHV 150, 2661, 2664
Valve 59, 225, 303, 396, 479, 484, 493, 514, 570, 579, 582, 586, 592, 603-604, 607, 615, 620, 659, 845, 890, 906,
917, 992, 1007, 1042, 1115, 1138, 1370, 1402, 1690, 1736, 1826, 2291, 2299, 2332, 2430, 2513, 2661,
2672, 2675, 2951, 3140, 3361, 3466, 3511, 3523, 3539
Water Dew Point 2464, 2484, 2693, 2696, 2698
XY Curve 2702, 2706

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VMGSim v. 10.

Welcome to VMGSim Version 10.0

© 2002-2016 Virtual Materials Group, Inc.

Tel: 1-403-457-4595 Tel: +34 934097286

James van der Lee Support:

Dean Helney: virtualmaterialseurope.com

Hideo Iketani Andrew Nathan

Australia/New Zealand Brazil

You will need Administrator privileges to install VMGSim in your system.

Minimum Hardware Requirements:

Recommended System Specifications

Typical Single User Installation

Using Visio 2010

Following are the steps to enable this “data execution” setting:

Authorize a Computer Web License

Start VMGSim by double-clicking on the desktop icon.

Starting VMGSim for the First Time

•Auto display of Property Package options when a new case is created

Checking for New Versions

Multiple Versions of VMGSim

USB Key Installation

Stand Alone USB Keys

Using a Stand Alone Safenet Sentinel USB Security Key with

USB Key Installation Steps:

You tried to decrement a counter that contains the value zero.

License is no longer valid. It probably expired due to time-out.

Network USB Keys

Using Safenet Sentinel USB Security Keys with VMGSim v2.4.2

Server Firewall Configuration

Client Firewall Settings

Sentinel License Monitor:

Remote License Updating:

Reference States in VMGSim

Enthalpy - Ideal gas enthalpy is assumed to be equal to zero at 0 K and 1 atm

Example 1 – Understanding Ports

Blue background is used to define user specified values.

This new signal ports can be specs or calculated data as well.

Concept: Information Propagation

Hit the <Enter> key.

Available information is propagated Forward as

VMGSim allows many different specifications when solving

Concept: Degrees of Freedom Monitoring

The following intensive thermodynamic properties can be

specify the thermodynamic state of a port

Putting it all together

l Ports – Material, Energy and Signal.

Create a material stream called feed and specify it as shown below.

Creating the Tower Feed Stage

3. Press the Create Port button to add a new port.

Partial Condenser Setup

The arrangement is show in the picture below.

This is illustrated below.

The final system is shown below. Note that it converges in 11 iterations.

Recycle Detail (Tab)

Property with Max Error

Abs. Tolerance Per Property

Specify Per Cmp.

Only Estimated or Inconsistent Properties

Connected Value [Connected Port Path]

~ the property is estimated and it is being iterated on

Flow sheeting with VMGSim

Tool Bar Icons

New: Creates a new VMGSim case