Beruflich Dokumente
Kultur Dokumente
Release 7.1
Table of Contents
Chapter 1 Using PRO/II .............................................................................9
Starting PRO/II...................................................................................................9
Compatibility with Previous Versions...............................................................11
PRO/II Main Window Components..................................................................12
Manipulating the PRO/II Window.....................................................................13
Working with On-screen Color Coding Cues...................................................14
Using the Menus..............................................................................................14
Using the Floating Palettes..............................................................................18
Using the Toolbar Buttons ...............................................................................18
Using the PRO/II Main Window .......................................................................22
Fortran Statements.................................................................................154
Sample Calculator Procedures.............................................................162
CAPE-OPEN..................................................................................................166
Column, Batch ...............................................................................................170
Column, Distillation ........................................................................................171
Index ......................................................................................................387
JUNE 2005
Chapter 1
Using PRO/II
This chapter describes how to start and exit PRO/II. In addition, it reviews some
basic Windows features as they appear in PRO/II and briefly describes how to
use them.
Starting PRO/II
If you have not yet installed PRO/II on your system, see the PRO/II PC/LAN
Installation Guide.
If you do not see a PRO/II icon in a SIMSCI group window or in your
Program/SIMSCI Start menu, see the troubleshooting section in the PRO/II
PC/LAN Installation Guide.
To start PRO/II:
Double-click on the PRO/II icon or launch from the Start menu. The
PRO/II welcome window appears. This window contains information on
opening files and on the color codes used in the program.
Chapter 1
USING PRO/II
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Chapter 1
USING PRO/II
11
subsequently export the problem, all supported features will be lost. The
exported file will not include any of the unsupported features. Later import of the
exported file will reveal that the unsupported features are missing. It is always
prudent to make copies of your original files and to work only on copies of the
original files.
Description
Title Bar
Minimize Button
Maximize/Restore Button
Menu Bar
Toolbar
Status Bar
Border Handles
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You can also use the Control menu to Restore, Move, Size, Minimize, or
Maximize a window. Open the Control menu by clicking the PRO/II icon at the far
left of the title bar or by pressing <Alt+Space>.
Chapter 1
USING PRO/II
13
Significance
Green
Blue
Yellow
Gray
Black
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Chapter 1
USING PRO/II
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Chapter 1
USING PRO/II
17
Description
View/Palettes/PFD
View/Palettes/Run
18
Menu Item
Description
View/New View
View/Palette/PFD
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Menu Item
Input/Problem Description
Input/Units of Measure
Input/Component
Selection
Input/Component Properties
Input/Thermodynamic Data
Input/Assay Characterization
Input/Reaction Data
Input/Procedure Data
Input/Casestudy Data
Input/Calculation Sequence
Input/Recycle Convergence
Chapter 1
Description
USING PRO/II
19
Using Go To Buttons
The Go To buttons enable you to jump to a selected unit or stream. PRO/II
repositions the flow sheet to place the selected unit or stream at the center of the
main window. The Stream List and Unit List (Go To) windows also allow direct
data entry and review of output results for the selected stream or unit.
Button
Menu Item
Description
View/Pan View
View/Unit List
View/Stream List
Menu Item
Description
Tools/Flash Stream
Tools/Binary VLE
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Button
Menu Item
Description
--------
--------
--------
Output/Generate
Report
Chapter 1
Menu Item
Description
Edit/Delete or <Delete>
View/Zoom/Redraw or <Shift+Home>
USING PRO/II
21
Menu Item
What Is?
Description
Displays help for the
object you point to.
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Chapter 2
Simulation Basics
In the previous chapter, you learned some of the basic window features of
PRO/II. In this chapter, you will learn simulation basics; that is, how to set up
simulation problems, solve them, and analyze the results.
General Approach
This chapter provides a quick overview of the use of PRO/II for solving
engineering problems. A suggested basic approach is given as well as helpful
explanations of the information flow in PRO/II. Sample data entry windows are
given to illustrate data entry for PRO/II. Step-by-step examples are available in
the PRO/II Tutorial Guide. Online help is also available.
You have already learned that PRO/II gives you great flexibility and numerous
options when supplying simulation data. For many items of data, default values
are supplied. A color code informs you when data are required, supplied by
default, out of normal ranges, or missing.
Note: You must supply data for all red-bordered fields or red-linked text
(including data required) before running your simulation.
Problem data may be supplied in almost any order: PRO/II warns you when
required data are missing. However, it is still best to follow a logical path when
supplying simulation data. For example, some options such as stream
compositions are dependent upon the components selected. Some unit
operations, such as the flash drum, have features that are dependent on the
thermodynamic data. For some other unit operations, performance specifications
based on the components in the system are the preferred way to define the
operation.
For these reasons, the following approach is recommended when
building a simulation flow sheet.
Chapter 2
SIMULATION BASICS
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Streams
Click the Streams button on the top of the floating PFD palette. The PFD is now
in stream mode and a small S is attached to the cursor. You will notice that all
possible exit ports for each unit operation are now marked. Required outlet ports
are colored in red; green is used to mark optional ports. PRO/II adds each
stream to the flowsheet in an orthogonal manner, following a rectangular grid
pattern.
As soon as a valid flowsheet has been built, i.e., all required inlet, outlet, and
connector streams have been added for all the process units, the red border
around the Streams button on the PFD palette changes to blue.
Chapter 2
SIMULATION BASICS
25
Required Data
Now that the flowsheet has been built, its time to supply the required data for the
calculations: the components and thermodynamic methods must be defined, inlet
feed streams and, optionally, recycle streams must be supplied, and the
operating conditions for the unit operations must be specified.
Components
To define the components, select Input/Component Selection from the menu bar
or click on the benzene ring toolbar icon to open the Component Selection main
window. Note that this icon has a red border, indicating that components have
not yet been defined.
Library components for which the library access names are known may be
directly typed into this window, where they are transferred to the List of Selected
Components for the problem. A convenient search procedure is also provided
which may be used by clicking Select From Lists . Petroleum (PETRO)
components are defined in the Petroleum Components window, which is reached
by clicking Petroleum. Non-library components can be defined in the Userdefined window which is reached by clicking User-defined.
Note that petroleum pseudocomponents defined by PRO/II from petroleum
stream assay data do not appear in the Component Selection main window.
Thermodynamic Methods
Thermodynamic methods are defined in the Thermodynamic Data main window
which is reached by selecting Input/Thermodynamic Data from
the menu bar or by clicking on the phase diagram icon. Note that this icon is
initially outlined in red, indicating that thermodynamic methods must be defined
for the problem.
For most problems, a predefined set of thermodynamic methods for calculating
K-values, enthalpies, entropies, and densities may be used. PRO/II offers
numerous Categories of method sets. After a category has been selected, you
may select a method set within that category as a Defined System for the
problem and modify it by clicking Modify to access the Thermodynamic
System-Modification window. Note that transport property calculations are not
included in the predefined method sets. If they are required for the problem, you
must add them to the predefined thermodynamic method set in this window.
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Stream Information
The identifiers for feed streams requiring input data are marked with red borders
indicating that information is missing. Stream information is supplied in the
Stream Data main data entry window which is reached by double-clicking a
stream identifier. The predefined stream identifier may also be changed in this
window.
Three types of information must be supplied in this window: the thermal condition
of the stream, the flowrate for the stream, and the composition of the stream. For
petroleum assay streams, the assay data are provided instead of the composition
data, and PRO/II defines the stream composition for you in terms of petroleum
pseudocomponents.
Although optional, it is good practice to provide reasonable estimates for recycle
tear streams in order to accelerate convergence of problem recycle calculations.
Unit Operations
Unit operation identifiers for which data entries are needed are marked with red
borders. To enter information for a unit operation, double-click its icon to retrieve
the Unit data entry window. Various input options and numeric values are
supplied via this parent window and its child windows. Required information is
always bordered in red; data entry fields for items with supplied defaults are
always bordered in green. After you have supplied information in a data entry
field, the border color changes to blue. Information you have supplied which lies
outside the normal range for the field is marked with a yellow border.
You may also change the default unit identifier in this window and furnish a
longer, more descriptive name for the unit operation. Notice that when you return
to the flowsheet, the unit identifier on the PFD has a black instead of red border,
signifying that all data entry requirements are satisfied. If the border is still red,
you must return to the data entry window for that unit operation and supply the
missing data.
Miscellaneous Data
All data entries in this category are optional. PRO/II provides default entries. In
some cases, global values may be used to supply the defaults, as explained in
Chapter 4, Building a Flow sheet.
Miscellaneous data categories include problem descriptive information, the
calculation sequence, recycle convergence options, flow sheet tolerances, and
the scaling of product streams.
Chapter 2
SIMULATION BASICS
27
Default Data
To simplify data input, PRO/II supplies default options and values wherever
practical. Default values supplied by PRO/II are printed in black in a data entry
field with a green border, or in the case of linked text, in green. For example, the
default number of iterations for a column unit operation using the IO method is
supplied as 15. Entries which you must always supply are indicated with a color
red because they have no default values.
While you do not need to replace a default entry to satisfy the input requirement
for PRO/II, default data should be inspected carefully to ascertain that they meet
your requirements. When you replace a default value, the border color for the
data entry field changes to blue, indicating that you have supplied this value. For
linked-text strings, the color of the linked text is also changed to blue, indicating
that you have replaced the default value.
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Optional Data
Optional data, which are displayed in black, are data or options not specifically
necessary for the unit operations to proceed. For example, the Description entry
is optional for all unit operations. A reboiler is optional for the Column unit
operation, since the calculation requirements may also be satisfied by a vapor
feed to the bottom tray of the column.
Data options which do not apply to a particular combination of input data appear
in the color gray, and are not available for data entry. For example, when the
kettle reboiler option is selected for a column reboiler, the data entry fields for a
thermosiphon reboiler are colored gray.
Chapter 2
SIMULATION BASICS
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Chapter 3
Managing PFD Files
This chapter describes how to open, save, close, delete and copy simulation
files. In addition, this chapter outlines how to import a PRO/II keyword input file or
export a flow sheet.
Chapter 3
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Chapter 3
Note: If youve made changes to a simulation and dont want to alter the original
simulation, but do want to keep the changes, use Save As.
Closing a Simulation
You should save a simulation before closing it, although PRO/II will prompt you
to save changes for an existing simulation.
To close a simulation:
Choose File/Close from the menu bar.
If you close a simulation without first saving the simulation files, you lose any
changes you made to the simulation since the last save.
Deleting a Simulation
You can delete any simulation except the current (active) simulation at any time.
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Copying a Simulation
You can copy all files associated with a simulation (one flow sheet and three
database files) to a target simulation you name. You can copy to new or existing
file. If you copy to an existing file, PRO/II verifies if you want to overwrite the
existing file.
Chapter 3
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Description
*.sfd
Graphics file
*.prz
*.out
*.ot1
*.ot3
*.sr1
*.ix3
Output index
*.hs2
Calculation history
Keyword input file
*.inp
*.plt
*.txt
*.csv
*.clp
*.prc
Chapter 3
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Chapter 3
Once you close the message window, the interface will be placed to the RunOnly mode as illustrated in Figure 3-9.
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Once the flow sheet has been solved, you may double-click a unit or stream to
view the results.
Chapter 3
PRO/II converts the current simulation flow sheet data into a PRO/II keyword
input file in ASCII format. The name of the keyword file will be YYY.INP, where
YYY.PR1 is the name of the simulation flow sheet PRO/II database file.
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Additionally in these instances, PRO/II writes a warning into the keyword file
advising that the list of unit operations and the SEQUENCE statement do not
match. These files may cause input processing problems if read into earlier
versions of PRO/II.
Chapter 3
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Note: Ctrl+C, Ctrl+V, Ctrl+X can be used a shortcut to COPY, PASTE and CUT
respectively.
Chapter 3
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Chapter 4
Building a Flow Sheet
This chapter describes how to construct a flow sheet. It begins by describing the
various defaults that may apply to your simulation on a global, simulation, or unit
level. This chapter also includes instructions for placing unit operations,
connecting units, and drawing objects that enhance the presentation of your flow
sheet without affecting calculations.
Chapter 4
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Chapter 4
Figure 4-3: Default Units of Measure for Problem Data Input Window
Select different dimensional units for data input for each individual
category or choose Initialize from UOM Library... to automatically fill in
the defaults from another set.
Click Standard Vapor Conditions... to enter the Problem Standard Vapor
Condition window. The default temperature and pressure basis are
shown in the data entry fields and may be replaced or the standard vapor
volume per mole may be replaced, not both. PRO/II default values are:
Temperature
50
Pressure
Vapor Volume
English
60F
14.696 psia
379.48 ft 3 /lbmol
Metric
0C
1.0332 kg/cm2
22.414 m3 /kgmol
SI
273.15 K
101.32 kpa
22.414 m3 /kgmol
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Chapter 4
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of Measure Library window. The name for the new set is then entered in the
Copy Units of Measure Set window. The Edit feature may be used to customize
the set.
Chapter 4
output units of measure can only be changed by selecting the Units of Measure
option from the Input menu.
One Output Report in Output Units: When this option is selected, an output
report based on the output units of measure specified will be generated. The
currently specified output units of measure will be displayed, and they can be
changed if desired.
Two Output Reports, one in Input Units, one in Output Units:
When this option is selected, two output reports will be generated, one each,
based on the input and specified output units of measure will be generated. The
currently specified output units of measure will be displayed, and they can be
changed if desired.
For the second and third cases discussed above, the displayed output units of
measure set can be copied from the specified input units, or initialized from one
of the units of measure sets stored in the units of measure library.
To copy the input units of measure set to be used for the output report, or
to reset the explicitly specified output units to the previously specified
input units:
Click Copy from Input UOM on the Default Units of Measure for Problem
Output Report window.
Click OK to continue.
To initialize the output units of measure set from a units of measure set
stored in the units of measure library:
Click Initialize from UOM Library... on the Default Units of Measure for
Problem Output Report window.
Click OK to continue.
If the results of a previously executed simulation must be printed in a different set
of dimensional units, it is only necessary to select the required units through this
feature and generate a new report. The entire simulation need not be executed
from the start just to obtain the output results in a different set of dimensional
units.
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Chapter 4
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Chapter 4
Snapping
When connecting two units with a stream PRO/II will adjust or snap the unit
icon positions to straighten the connecting stream. By default, units you add to or
move in the PFD main window snap to an invisible grid. You can turn grid
snapping off.
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Deleting a Unit
To delete a unit already on the flow sheet:
Click on the unit icon you want to delete.
Click delete
on the toolbar, or press <Delete>, or click the right
mouse button and select Delete.
Relabeling a Unit
PRO/II automatically labels each unit icon you place on the PFD main window.
You can change the label for a unit by modifying the label on its data entry
window. By default, the label consists of a character and a one-digit auto
incrementing number.
Chapter 4
Drawing Streams
Streams mode is used to lay out the connections between units and feed and
product streams. The product ports for each unit automatically appear when you
depress the Streams button. Required product ports are red, while optional
product ports are green. For some unit operations, an entire side of the unit will
be red or green denoting multiple connections to that port.
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Chapter 4
Drawing a Connection
To connect units:
Click the left mouse button on a port to anchor or start a stream. The
ports and port colors for some unit operations change depending on the
port you selected.
Click the mouse again at the other unit you want to connect. PRO/II
draws an orthogonal line to connect the ports.
Canceling a Connection
To cancel a stream connection:
Click the right mouse button or press <Esc>.
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Changing a Connection
To change a connection:
Click the end (port) of the stream and hold down the mouse button.
Drag the end of the stream to a new port.
Release the mouse button.
Labeling a Stream
PRO/II automatically labels each stream you place on the PFD main window. By
default, the label consists of an S followed by an auto incrementing number. You
can change the label for a stream by changing the label on its data entry window.
To relabel a stream:
Double-click on the stream you want to relabel. The Stream Data window
appears.
Type over the default name for Stream.
Choose OK.
This stream will now show the new label; other streams retain the original
labeling scheme.
Moving Streams
You can change the route of the stream between two connections whenever you
wish.
To move a stream:
Click on the end of the stream you want to move.
Chapter 4
Rerouting Streams
As you add new connections, PRO/II automatically performs a stream route
calculation. When you move a stream or a unit operation icon, this calculation
may no longer be valid. You can recalculate an unobstructed, orthogonal path for
selected streams.
To reroute a stream:
Select the stream(s) you want to reroute.
Choose Reroute from the Edit menu.
PRO/II calculates the best route for these streams and automatically reroutes
them.
Going to a Unit
To search for a unit:
Click Go to Unit
or select View/Unit List. The Search for Unit dialog
box appears, showing the names of all units currently placed on the flow
sheet diagram.
Select the unit you want to go to. The unit appears at the center of the
PRO/II main window.
Going to a Stream
To search for a stream:
Click Go to Stream
or select View/Stream List. The Search for
Stream dialog box appears, showing the names of all streams currently
placed on the flow diagram.
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Select the stream you want to go to. The stream appears at the center of
the PFD.
Note: These search tools are only available on the toolbar if the Standard
Toolbar is active.
Chapter 4
Single line format lays units in a single line from left to right.
Entering Text
You use the text option to include notes on your drawing. Once you choose text
mode, you remain in text mode as long as you continue to choose the OK or
Cancel button on the Draw Text window; choosing Cancel exits text mode.
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To place text:
Choose Draw/Text from the menu bar.
Drawing Lines
You use the line option to add connected lines to the diagram without interfering
with simulation data. PRO/II provides an orthogonal polyline feature.
To draw a line:
Choose Line from the Draw menu.
Click and hold the mouse button on the PFD main window to anchor the
line.
Press <Space> to set each anchor point for drawing in a new direction.
Release the mouse button to complete your line.
Chapter 4
Press <Space> to set each anchor point for drawing in a new direction.
Release the mouse button to complete.
Drawing Shapes
You can draw shapes to enclose figures on a diagram without interfering with
simulation data.
To draw a polygon:
Choose Polygon from the Draw menu.
Click and hold down the mouse button on the PFD main window.
Press <Space> to each anchor point for drawing in a new direction.
Release the mouse button to complete your object.
Drawing Pages
You can divide your PFD into pages and define separate page setup options for
each page. Pages can be individually printed or copied to the clipboard (see
Chapter 3, Managing PFD Files).
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To add a page:
Choose Page from the Draw menu.
Click on the PFD.
Drag and release the mouse button to the desired size.
The page name is automatically given as PG followed by an auto incrementing
three-digit number.
Chapter 4
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Chapter 5
Manipulating Objects
This chapter describes how to select unit icons, streams, and other objects on
the PFD main window and how to move, resize, rotate, or flip them. In addition,
this chapter describes how to edit and align text.
Chapter 5
MANUPULATING OBJECTS 71
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Chapter 5
MANUPULATING OBJECTS 73
Deselecting Objects
If you change your mind after selecting objects, you can reverse any selection.
Resizing an Object
You can change the height, width, or overall size of any object or a group of
objects on your flow sheet.
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Chapter 5
MANUPULATING OBJECTS 75
Rotating an Icon
You can also click the right mouse button on a unit icon, then choose Rotate from
the Pop-up Unit menu to display the rotation degrees.
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Flipping an Icon
You can also click the right mouse button on a unit icon, then choose Flip from
the Pop-up Unit menu to display the flip options.
Editing Text
You can change the text, size and or rotation of any text object you placed on the
PFD main window.
To edit text:
Double-click on the text object you want to change. The Draw Text
window appears.
Edit as desired and choose OK.
Aligning Text
You can align text in two or more text boxes to the left, right or center of the box
they are drawn in.
To align text:
Select the text you want to align (you must select at least two) by clicking
on the first text box, then click on the other box(es) while holding down
the <Shift> key.
Choose Align Text from the Edit menu. The align menu pop-up appears
to the right of the Edit menu.
Choose Left, Center or Right.
Chapter 5
MANUPULATING OBJECTS 77
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Chapter 6
Viewing Flow Sheet Contents
PRO/II offers a variety of tools that aid you in viewing your flow sheet contents:
Horizontal and vertical scroll bars allow you to change the visible portion
of the process flow diagram in the PFD main window.
You may open additional viewport windows of your current flow sheet to
display different views of your simulation.
The Pan View window is a special feature of PRO/II that enables you to
see a thumbnail of the entire flow sheet and use a bounding box in the
thumbnail to move the visible area.
This chapter describes how to use the PRO/II scroll, pan, and multiple viewport
features to display portions of your flow sheet diagram in the PFD.
Zooming
You can access the PRO/II zoom features from the View menu, using the zoom
buttons on the toolbar, or using the keyboard.
Chapter 6
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Chapter 6
Panning
You can pan the contents of the PRO/II main window using the Pan window or
the Small Pan or Large Pan options on the View menu.
The Pan View window is a thumbprint of the entire flow sheet. A bounding box
identifies the area of the flow sheet currently visible in the PFD main window.
You move the bounding box or change its size to change how much or what
portion of the flow sheet you see in the PFD.
From the View menu, you can pan in large or small increments: up, down, left, or
right. You can change the settings for the pan increment in the General Drawing
Defaults window.
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Chapter 6
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Chapter 7
Data Entry Windows
PRO/II offers a wide variety of data entry windows for entering the data
associated with your PRO/II simulation. There are a number of libraries from
which you can extract sets of data. This chapter provides an introduction to these
data entry windows.
Chapter 7
Menu Item
Description
Problem Description
Units of Measure
86
Component Selection
Component Properties
Thermodynamic Data
Assay Characterization
Procedure Data
Reaction Data
Calculation Sequence
Recycle Convergence
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Selecting Components
Use this option to select the components and pseudocomponents that you want
to include in this simulation.
Chapter 7
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Chapter 7
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Chapter 7
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Chapter 7
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Button
Description
Displays context-sensitive help for the
active data entry field, or for
the window itself (if there is no active
field).
Displays the main help window for the
data entry window.
Displays the results of the data
consistency checks performed for
the main window after you choose OK.
Selects a units of measure set for the
selected data entry field.
References one stream or unit
parameter value to another stream
or unit parameter.
Displays the valid range of values for
the active data entry field.
Displays the notes, associated with the
unit.
Chapter 7
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Linked text
Linked text is used to input information in a sentence format. Numeric values,
mathematical operators, stream or unit names, or various options may be
supplied as linked text. Linked text may serve to access another data entry
device. The Feedback Controller data entry window containing linked text is
shown in Figure 7-12.
Chapter 7
Figure 7-12: Feedback Controller Main Data Entry Window - Initial Display
Linked text is used on this window to define the Specification and Variable. Note
that the Parameter and value link texts are red, denoting that you must click
these strings and provide data entries. The text string the default tolerance is
green, denoting a default value.
Optionally, a different tolerance may be provided by clicking the afore-mentioned
text string to open the Specification Tolerance window, where the appropriate
radio button may be clicked to select a new tolerance type, i.e., relative
tolerance. Click OK to return to the Feedback Controller window. Notice that the
relative tolerance text string becomes blue indicating a user-supplied value.
When the value text string is clicked, a floating point entry field for the
specification value is displayed with a red border signifying mandatory input. The
value you supply is now displayed in blue numbers instead of the value text
string.
Clicking the Parameter text string retrieves the Parameter window in which the
unit or stream and its parameter are defined. The unit or stream identifier and the
parameter for the specification are now displayed in blue, replacing the
Parameter text string.
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Chapter 7
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Chapter 8
Specifying Component,
Thermodynamic and Stream
Data
This chapter describes several types of optional component, thermodynamic and
stream information which may be supplied for PRO/II. In many cases, the default
values are satisfactory and it may not be necessary for you to visit these
sections.
Component Data
General Information
PRO/II provides considerable flexibility in the definition of component data. No
limit is set on the number of components which may be used for any problem.
Furthermore, component data may originate from a variety of sources such as
SIMSCI databanks, user-prepared databanks, user-defined components, and
components derived from petroleum assay data for feed streams. Moreover, you
may stipulate a preferential search order when multiple databanks are used.
The SIMSCI databanks, SIMSCI and PROCESS, contain more than 1700
components and are adequate for nearly all simulation models. The AIChE
DIPPR databank is also available as an add-on to PRO/II. User databanks of
thermophysical data can be created, using SIMSCI LIBMGR and DATAPREP
programs, and maintained through PRO/II graphical user interface. SIMSCI
REGRESS is also fully supported in PRO/II, allowing you to carry out regression
of experimental thermo-physical data to model equations.
Chapter 8
If you know the library access name for a component, you may enter it directly
into the data entry field. Click Add-> or press <Enter> to retrieve the component
from the component databank and add it to the List of Selected Components. If
the component cannot be located by the name you have entered, a warning will
recommend that you use the Select from Lists feature to locate the component
in the SIMSCI and PROCESS databanks:
Click Select from Lists on the Component Selection main data entry
window to open the Component Selection -List/ Search window.
Select a Component Family from the like-named drop-down list box. A
large number of component families are provided to speed the search. A
brief description is given below:
Most Commonly Used: Approximately 100 components representing all of the
pure components commonly encountered in natural gas and petroleum
processing.
Hydrocarbon Lightends: Light gases commonly reported on analysis for oil
refinery streams.
All Components: Every component in the SIMSCI and PROCESS databanks.
Families of Specific Chemical Type: Twenty families in alphabetical order:
Acids
Alcohols
Amides
Aromatic Hydrocarbons
Esters
Halogenated Derivatives
Miscellaneous
Other Nitrogen Derivatives
Salts and Minerals
Sulfur Derivatives
For all families listed above, except for Hydrocarbon Lightends, you may define
specific search criteria by selecting radio buttons and entering a search string.
Use part or all of the component name, alias, or chemical formula as the search
string. As components are located, transfer them to the Additions to Component
List box. When you have located all the components, click OK to return to the
Component Selection main window and to transfer the components to the List of
Selected Components.
The priority order for databanks may be defined by pushing the Databank
Hierarchy button on the Component Selection main window to access the
Component Selection Databank Search Order window.
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This window initially displays the default search order and may be modified to
search the databanks in any order. Components are always selected from the
first databank in the search order in which they appear.
Chapter 8
To delete a component:
Highlight the name of component in the List of Selected Components.
Click Delete .
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on
The Component Properties window is the master navigation point for changing all
component properties.
Note: Component properties cannot be defined before the component names
have been entered.
There are three methods available for component property modification:
Chapter 8
For PRO/II library components, the values in the database will appear in the
various property windows. In cases where there is no library value to serve as
the default, the default displayed will be the text Missing. You may reassign
values for any of these properties.
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standard, a message to that effect appears, and the border of the drop-down list
box will be yellow.
If you choose the Tabular Data option, the Component Properties Tabular Data
window appears.
Enter temperature and property data. You must enter at least one data
pair.
DATAPREP
The most commonly used features of DATAPREP, particularly relating to point
properties and temperature-dependent correlations for pure components, are
now accessible in the graphical user interface of PRO/II. PRO/II allows you to
input data, view database correlation information, override database information
as desired, and plot parameters over a temperature range.
Chapter 8
Assay Data
General Information
For many petroleum-based streams, the composition is not fully known in terms
of defined components. These stocks must be characterized by
pseudocomponents for which the necessary physical and thermodynamic
properties have been estimated. PRO/II has extensive procedures for the
translation of petroleum stream laboratory assay data into pseudo components.
Pseudocomponents are based on boiling point or cutpoint ranges on the true
boiling point (TBP) distillation for the stock. The normal boiling point for a
pseudocomponent is defined as the weighted average temperature of its cutpoint
range. The TBP distillation must often be derived from another type of laboratory
distillation, using a conversion procedure. PRO/II accepts the following types of
laboratory distillations: TBP, ASTM D1160, ASTM D86, and ASTM D2887. While
laboratory distillations are usually reported on a 760 mm Hg basis, PRO/II has
procedures to correct distillations for other laboratory pressures.
Estimated values for the standard liquid gravity and molecular weight for each
pseudocomponent are also needed for the characterization process. The
standard liquid gravity for each pseudocomponent is derived from the gravity
curve for the stream, in similar fashion to the normal boiling point. The gravity
curve for the stream is often not available, and it must be estimated, based on
the average stream gravity and the distillation curve. The molecular weight curve
is seldom available, and the molecular weight for each pseudocomponent is
usually predicted from its normal boiling point and standard liquid gravity. All
other required physical and thermodynamic properties may be estimated from
the normal boiling point, standard liquid gravity, and molecular weight.
The use of assay data in PRO/II is divided into two logical steps. The first step
involves the definition of the cutpoint ranges and selection of the characterization
options used in development of the pseudo components.Characterization options
include distillation curve fitting and conversion methods, gravity curve generation
procedure, methods for prediction of molecular weight, and methods for
estimation of critical properties and ideal gas enthalpies. If the default cutpoint
ranges and methods furnished by PRO/II are acceptable, this step may be
omitted.
The properties for all pseudocomponents derived from the same cutpoint set are
averaged, based on the stream flows, to develop a common set of blend
components. This technique provides reasonable results when the streams have
similar chemical natures. For example, all of the assay specifying streams are
products from the crude distillation unit. However, when assay streams are
dissimilar chemically, such as virgin materials and cracked materials, there may
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be serious errors in the characterizations for the streams when a single set of
blend components is used.
For this reason, you are allowed to define additional cutpoint sets. For example,
an additional cutpoint set may be defined to represent the products from an FCC
reactor. Note that it is not necessary or desirable to define a separate cutpoint
set for each assay stream. Similar streams may be grouped by using the same
cutpoint set without a serious loss of accuracy. This also minimizes the number
of components in the simulation, keeping calculation times smaller.
The second step is supplying the petroleum stream laboratory assay data to
PRO/II. This step is accomplished in the setup of initial feed streams and is
discussed in the Stream Data section of this chapter.
Click
with the distillation pseudocomponent curve on the toolbar, or
select the menu bar item Input, then select the menu item Assay
Characterization.
No of Cuts
28
8
4
The default cutpoint ranges are usually reasonable for crude oil problems. They
may be modified in the Assay Data Primary TBP Cutpoints Definition window
which is accessed by clicking Modify... on the Assay Cutpoints and
Characterization main data entry window. A convenient tabular form is provided
for editing of the primary cutpoint set.
Additional or Secondary cutpoint sets may be added to the problem by clicking
Define New Cutpoint Set... on the Assay Cutpoints and Characterization main
data entry window to access the Assay Data Secondary Set of TBP Cuts. A
cutpoint set name is supplied on this window and a tabular entry form is provided
for definition of the cutpoints. This window is also used to modify existing
secondary cutpoint sets and is accessed by clicking Modify on the Assay
Cutpoints and Characterization main data entry window and highlighting a
Chapter 8
secondary cutpoint set in the Defined Secondary Sets list box, on the Assay
Cutpoints and Characterization main data entry window.
Highlighted secondary cutpoint sets in the Assay Cutpoints and Characterization
main data entry window may be deleted by clicking Delete.... This action
removes the secondary cutpoint set from the problem.
The Default Cutpoint Set is used for all streams for which a cutpoint set is not
specified. Initially, it is defined as the Primary Cutpoint Set by PRO/II. After one
or more Secondary cutpoint sets have been defined, the default cutpoint set may
be changed via the drop-down list box on the Assay Cutpoints and
Characterization main data entry window. It is convenient to define the cutpoint
set which is used the most often as the default cutpoint set.
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The characterization options are explained in greater detail in the PRO/II help
text and the online PRO/II Reference Manual accessed via the Help menu.
Thermodynamic Data
General Information
The selection of appropriate thermodynamic methods is an important and
necessary step in the solution of flow sheet problems. PRO/II provides a wide
range of methods to allow solution of the wide variety of systems which occur in
the chemical process industries.
Thermodynamic properties are an integral part of the flow sheet calculations. The
equilibrium K-values (both VLE and LLE) are used to determine the phase
separations. The enthalpies for the streams are used to determine the energy
required to take a system of components from one set of thermal conditions to
another. Entropies are used in the calculation of the isentropic operations and the
Gibbs free energy minimization reactor. Liquid and vapor densities are used in
heat transfer, pressure drop, and column tray sizing.
Transport properties are selected in conjunction with the thermodynamic
methods in PRO/II and are comprised of liquid and vapor viscosities, liquid and
vapor thermal conductivities, and liquid diffusivities. While not strictly a transport
property, liquid surface tension is also included. Transport properties find use in
rigorous heat transfer calculations, pressure drop determination, and column
sieve tray and packing calculations. Transport properties are also reported in the
stream properties reports and may be requested in Heating/Cooling Curves
reports.
In PRO/II, the selection of thermodynamic methods has been simplified by the
concept of the method set. Method sets consist of predefined thermodynamic
methods for K-values (VLE and LLE), liquid and vapor enthalpies, entropies,
vapor fugacities, and densities. Numerous predefined sets are provided. Multiple
thermodynamic method sets may be selected for each flowsheet. For example, a
default set may be specified for the overall flowsheet and other method sets used
for individual units.
A facility is also provided to modify the thermodynamic methods in the predefined
method sets. Certain parameters for some of the thermodynamic methods may
also be supplied.
Chapter 8
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Liquid Activity: Liquid activity methods use liquid phase activity coefficient
models to represent the liquid mixture in phase equilibrium calculations. This
approach is useful for modeling strongly nonideal liquid solution behavior.
Methods available in PRO/II include:
NRTL, UNIQUAC, Wilson, van Laar, Margules, Regular Solution, Flory-Huggins,
UNIFAC, UNIFAC TDep-1, UNIFAC TDep-2, UNIFAC TDep-3, UNIFAC Free
Volume, and Ideal.
Generalized Correlations: Generalized correlations predict K-values with semirigorous equations. The Grayson-Streed and Chao-Seader correlations use the
Redlich Kwong equation for vapor fugacities and empirical relationships for the
liquid fugacities. Braun K-10 is based on the convergence pressure concept. A
variety of other correlations are used to predict the other properties, i.e.,
enthalpies, entropies, and densities. Generalized correlations are: Braun-K10
(BK10), Grayson-Streed (GS), Improved-Grayson-Streed (IGS), Grayson-StreedErbar (GSE), Chao-Seader (CS), Chao-Seader-Erbar (CSE), and Ideal (IDEAL).
Special Packages: Special packages are designed to solve a particular
industrial application. Special packages in PRO/II are: Alcohol (ALCOHOL),
Glycol (GLYCOL), Sour Water (SOUR), GPA Sour Water (GPSWATER), and
Amine (AMINE) and CAPE-OPEN.
All Primary Methods: This category includes all of the primary thermodynamic
sets that are listed above. User-added Methods: This category includes all of the
15 user-added method sets that may be defined by the user.
The PRO/II online help texts provide application guidelines for the various
method sets, as well as a brief description for each method. More detailed
information may also be found in the PRO/II Reference Manual (also available
online). Table 8-1 at the end of this section gives a detailed list of the composite
thermodynamic methods used for each predefined method set.
Chapter 8
Any or all of the thermodynamic methods may be changed for the method set
being modified, including: K-value (VLE), K-value (LLE), liquid enthalpy, vapor
enthalpy, liquid entropy, vapor entropy, liquid density, vapor density, and vapor
fugacity (where applicable).
Some property-specific data may also be supplied and/or modified in this window
for the thermodynamic methods by clicking Enter Data... in the Property-specific
Data field. Many of the methods use specific parameters, such as binary
interaction factors, modified acentric factors, etc. A priority search order may be
defined for the selection of these parameters from more than one thermodynamic
databank. Note that thermodynamic databanks are supplied by SIMSCI and may
also be prepared by the user with the SIMSCI LIBMGR program.
Property-specific data which apply only to the liquid activity methods include: fill
options for missing parameters, Henrys Law options, and Poynting correction
options. For the liquid activity methods, a vapor fugacity method may also be
selected.
Other property-specific data which may be modified include the dimensionless
residence time correction factor for amines DGA and MDEA and the key (or
dominant) components in each liquid phase for K-value (LLE) methods. Key
component selection is optional and PRO/II will determine them when not
supplied. However, convergence time may be enhanced by preselecting the key
components.
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Henrys Law
The Henrys Law window is used to specify whether or not Henrys Law is to be
used in conjunction with a liquid-activity K-value method. This window is brought
up by clicking Enter Data... on the Thermodynamic Property ModificationProperty Specific Data window. Checking the box on the Henrys Law window
causes Henrys Law to be used to determine the solubility of certain components.
Designation of solute components may either be determined by the program or
selected explicitly by choosing the appropriate radio button. If the solute
components are to be designated explicitly, the desired solute components must
be selected from the list box on the Henrys Law window.
Poynting Correction
The Poynting Correction window is used to specify the use of the Poynting
correction factor for liquid-phase fugacities. The Poynting Correction window is
brought up by clicking the appropriate Enter Data... button on the
Thermodynamic Property Modification-Property Specific Data window. There are
three options to using the Poynting correction:
1. Default: This choice specifies that the Poynting correction will be used only if
a vapor fugacity method is chosen.
2. Use Poynting Correction to Liquid Activities: Use the Poynting correction
factor for the liquid phase fugacity.
3. Do Not Use Poynting Correction: Do not use Poynting correction factor.
If either of the first two options is selected, then the molar volume calculation
method may be selected from the following choices: Standard (25C) Volumes,
Rackett, Rackett One-Fluid,or Library Density Correlations. The default method is
Standard (2 C) Volumes.
Chapter 8
window. A value for the residence time correction factor for systems containing
amines MDEA or DGA may be entered in this window. The default value for this
factor is 0.30.
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Chapter 8
Property Calculations
When a Property Package is selected for stream calculations or unit operation
calculations, thermo properties like transport properties,enthalpy, entropy etc. will
be calculated from the property package. For flash calculations, CalcEquilibrium
will be called on property package. But, if the function CalcEquilibrium to property
package fails, flash algorithm of PRO/II will be used with properties like fugacity
coefficients from property package.
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Chapter 8
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Vapor
Enthalpy
Liquid
Enthalpy
Vapor
Entropy
Liquid
Entropy
Vapor
Density
Liquid
Density
Vapor
Fugacity
SoaveRedlichKwong
(SRK)
PengRobinson
(PR)
GraysonStreed (GS)
Braun-K10
(BK10)
NRTL
(NRTL)
UNIQUAC
(UNIQUAC)
UNIFAC
(UNIFAC)
SRK
SRK
SRK
SRK
SRK
API
NONE
PR
PR
PR
PR
PR
API
NONE
CP
CP
CP
CP
SRK
API
NONE
JG
JG
CP
CP
IDEAL
API
NONE
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
IDEAL
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
IDEAL
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
IDEAL
Liquid
Enthalpy
Vapor
Enthalpy
Vapor
Entropy
Liquid
Entropy
Vapor
Density
Liquid
Density
Vapor
Fugacity
BWRS (BWRS)
Peng-Robinson
(PR)
PR-Huron-Vidal
(PRH)
PRPanagiotopoulosReid (PRP)
PR-ModifiedPanag.-Reid
(PRM)
Soave-RedlichKwong (SRK)
SRK-KabadiDanner (SRKKD)
BWRS
PR
BWRS
PR
BWRS
PR
BWRS
PR
BWRS
PR
BWRS
PR
NONE
NONE
PRH
PRH
PRH
PRH
PRH
API
NONE
PRP
PRP
PRP
PRP
PRP
API
NONE
PRM
PRM
PRM
PRM
PRM
API
NONE
SRK
SRK
SRK
SRK
SRK
API
NONE
SRKKD
SRKKD
SRKKD
SRKKD
SRKKD
API
NONE
Chapter 8
SRKH
SRKH
SRKH
SRKH
SRKH
API
NONE
SRKP
SRKP
SRKP
SRKP
SRKP
API
NONE
SRKM
SRKM
SRKM
SRKM
SRKM
API
NONE
SRKS
SRKS
SRKS
SRKS
SRKS
API
NONE
HEXA
HEXA
HEXA
HEXA
HEXA
API
NONE
LKP
LKP
LKP
LKP
LKP
API
NONE
UNIW
UNIW
UNIW
UNIW
UNIW
UNIW
NONE
Generalized
Correlations:
Primary
Method (Kvalue)
Vapor
Enthalpy
Liquid
Enthalpy
Vapor
Entropy
Liquid
Entropy
Vapor
Density
Liquid
Density
Vapor
Fugacity
Braun-K10
(BK10)
Chao-Seader
(CS)
Chao-SeaderErbar (CSE)
GraysonStreed (GS)
GraysonStreed-Erbar
(GSE)
ImprovedGraysonStreed (IGS)
Ideal (IDEAL)
JG
JG
CP
CP
IDEAL
API
NONE
CP
CP
CP
CP
SRK
API
NONE
CP
CP
CP
CP
SRK
API
NONE
CP
CP
CP
CP
SRK
API
NONE
CP
CP
CP
CP
SRK
API
NONE
CP
CP
CP
CP
SRK
API
NONE
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
NONE
122
SRK-Huron-Vidal
(SRKH)
SRKPanagiotopoulosReid (SRKP)
SRK-ModifiedPanag.-Reid
(SRKM)
SRK-SIMSCI
(SRKS)
SRK-Hexamer
(HEXA)
Lee-KeslerPlcker
Uniwaals (UNIW)
JUNE 2005
Special
Packages:
Primary
Method
(K-value)
Vapor
Enthalpy
Liquid
Enthalpy
Vapor
Entropy
Liquid
Entropy
Vapor
Density
Liquid
Density
Vapor
Fugacity
Alcohol
(NRTL)
Amine
(AMINE)
Glycol
(GLYCOL)
Sour Water
(SOUR)
GPA Sour
Water
(GPSWAT)
SRKM
IDEAL
SRKM
SRKM
SRKM
IDEAL
IDEAL
SRKM
AMINE
SRKM
SRKM
SRKM
IDEAL
NONE
SRKM
SRKM
SRKM
SRKM
SRKM
API
NONE
SRKM
IDEAL
SRKM
SRKM
SRKM
IDEAL
NONE
SRKM
IDEAL
SRKM
SRKM
SRKM
IDEAL
NONE
Liquid
Activity:
Primary
Method (Kvalue)
Vapor
Enthalpy
Liquid
Enthalpy
Vapor
Entropy
Liquid
Entropy
Vapor
Density
Liquid
Density
Vapor
Fugacity
NRTL (NRTL)
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
IDEAL
UNIQUAC
(UNIQUAC)
UNIFAC
(UNIFAC)
Wilson
(WILSON)
van
Laar
(VANLAAR)
Margules
(MARGULES)
Regular
Solution
(REGULAR)
Flory-Huggins
(FLORY)
UNIFAC
TDep-1
(UNIFAC
TDep-1)
UNIFAC
TDep-2
(UNIFAC
TDep-2)
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
IDEAL
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
IDEAL
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
NONE
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
IDEAL
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
IDEAL
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
IDEAL
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
IDEAL
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
IDEAL
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
IDEAL
Chapter 8
UNIFAC
TDep-3
(UNIFAC
TDep-3)
UNIFAC Free
Volume
(UNIFAC
Free Volume)
Ideal (IDEAL)
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
IDEAL
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
IDEAL
IDEAL
IDEAL
NONE
NONE
IDEAL
IDEAL
NONE
Stream Data
General Information
This section of data is used to specify the thermal conditions and compositions
for all feed streams in the flow sheet. It may also be used to furnish initial
estimates of the composition and thermal conditions for recycle tear streams to
enhance recycle convergence. Supplied data for tear streams or any other
streams which are products from unit operations are used as estimates only and
always replaced by the next calculated set of values. Finally, Reference streams
may be defined to eliminate thermal recycles.
Compositional streams may be of two types: composition fully defined in terms of
defined components, or pseudocomponents to be generated from petroleum
assay data. Reference streams are always assigned the composition of the
parent stream.
Compositions may be defined on a mole, weight, standard liquid volume or vapor
volume basis, corresponding to typical laboratory data. It is necessary to provide
both a laboratory distillation and stream average gravity for petroleum assay
streams. Light ends analyses, gravity curves, and molecular weight curves may
optionally be furnished to improve the characterization of petroleum assay
streams.
The stream thermal conditions may be specified in a variety of ways including:
defined temperature and pressure, bubble or dew point conditions, or fraction
liquid. For reference streams, only the temperature and pressure may be defined.
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Chapter 8
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Laboratory Distillation
Click Define/Edit Assay... on the Petroleum Assay Stream window to
enter the Assay Definition window. This window is used to enter the
laboratory assay data for the petroleum stream.
Select the type of distillation via radio buttons as: True Boiling Point
(TBP), ASTM D86, ASTM D1160, or ASTM D2887.
The basis for the distillation may be chosen as: Liquid Volume or Weight. Liquid
Volume is the default for all distillations except the ASTM D2887 which is
defaulted as weight. Note that gravity and molecular weight curves must be on
the same basis, volume or weight, as the distillation curve. The distillation data
for TBP, ASTM D86, and ASTM D1160 are assumed to be at a pressure basis of
14.696 psia. If not, enter the laboratory pressure in the data field provided. For
ASTM D86 distillations, a Correct for Cracking check box is provided for
application of the API Data Book cracking correction to the distillation
temperatures.
The distillation data are entered in the table provided. At least two points are
required when the cubic spline fitting method is used. When only two points are
given, PRO/II uses a probability density function to fill in the curve. For the
quadratic fitting option, at least three points must be given for TBPs and five
points for other types of distillations. PRO/II needs the entire distillation curve
from zero percent to one hundred percent and extrapolates and interpolates as
Chapter 8
Gravity Data
The type of gravity data is denoted by radio buttons on the Assay Definition
window as: API Gravity, Specific Gravity, or Watson K-Factor. The stream
average value must be supplied in the data entry window provided. Optionally, a
gravity curve for the stream may be given by clicking Gravity Curve... on this
window to access the Assay Gravity Curve window which provides a convenient
tabular form for entry of the gravity curve.
Lightends Data
Lightends data may be optionally provided by clicking Lightends... on the Assay
Definition window to access the Assay Lightends Data window. The lightends
composition may be entered on a mole, mass, standard liquid volume, or
standard vapor volume basis. Any library component or petroleum component
that was defined as a PETRO component may be designated as a lightend.
Several choices are available for specification of the total lightends flow. These
choices are selected via radio buttons and are:
Match to TBP Curve: The lightends rate is determined such that the normal
boiling point for the mid percent of the highest boiling lightend exactly matches
the TBP curve. The lightend components are kept in the same proportions as the
supplied composition (the default).
Fraction of Assay: The lightends rate is a specified fraction of the total stream
rate. A basis of liquid volume or weight may also be selected in the Basis dropdown list box. If no basis is selected, the basis for the distillation curve is
assumed. When this option is chosen and the lightends composition does not
add to the specified fraction or to 100.0 1.0 or 1.00 0.01 (indicating
composition percentage or composition fraction) an error is signaled.
Percent of Assay: The lightends rate is a specified percent of the total stream
rate. A basis of liquid volume or weight may also be selected in the Basis dropdown list box. If no basis is selected, the basis for the distillation curve is
assumed. When this option is chosen and the lightends composition does not
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provided. When this option is chosen and the lightends composition does not add
to 100.0 1.0 or 1.00 0.01 (indicating composition percentage or composition
fraction) an error is signaled.
Optionally, a check box is provided to normalize the composition based on the
specified total lightends rate, in which case no error is signaled for a composition
total which does not equal fraction, percent or a supplied rate and does not add
to 100.0 1.0 or 1.00 0.01.
Chapter 8
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Chapter 8
132
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Chapter 8
134
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You may choose to paste only the input data of the selected stream or paste the
input data and calculated data (using the total composition, or vapor composition,
or liquid composition).
Note:
Chapter 8
Note: You can link a stream in the current flow sheet to another stream in the
same flow sheet. This includes linking the input of the currently selected stream
to the calculated output data for that stream.
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Chapter 8
138
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Note: The SIMSCI databank contains Refinery Inspection Properties for some
components; these data will be used if no value is entered in the input. If no data
are present for a component, a fill method can be chosen through the
Thermodynamic Data window (see below).
Chapter 8
Otherwise the Assay Data Entry for Refinery Inspection and Userdefined Special Properties window will open.
Enter the property value(s) as either a stream average, curve against
Percent Distilled or both. If the property is Kinematic Viscosity, enter
values at two temperatures.
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i.
Stream Method, which defines the method used to mix the component
property values to produce a value for the stream. The available options
are:
Summation: The stream property value is determined by summing the
product of the component property value and the component fraction.
The fraction may be molar, weight or liquid volume and is calculated from
the total stream dry composition except for kinematic viscosity when it is
from the dry liquid part of the stream. Any Index data supplied for the
property will be converted to property values before the summation,
using the equation:
Index
Reference Index
ii.
Chapter 8
Reference Value
This equation is then used to convert the stream index value to the
stream property value.
iii.
iv.
v.
SIMSCI: This method is only available for cloud point and kinematic
viscosity. It is an index method but uses specific index equations.
vi.
API: API procedures may be used to calculate flash point, cetane index,
mean average boiling point, cubic average boiling point, molal average
boiling point or net heating value. The API method requires no
component data.
vii.
viii.
ix.
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d. API: This estimates missing data by API methods for kinematic viscosity,
pour point or refractive index.
e. Nelson: This option estimates missing data by Nelson method for smoke
point.
x.
Component Blend, which defines the way in which missing data are
handled when calculating properties from blended assay streams. The
options are:
a. Zero: The property value for the cuts in the assay with no data is set to
0.0.
b. Exclude: The property is calculated by blending only those assays,
which have data for this property.
c.
Missing: For this option, the blended property is not calculated and is
reported as Missing.
Click Data... to enter data for this property, for this thermodynamic
system. If the Stream Method is defined as User-Formula, the User
Formula Data Entry window opens. Otherwise, if the property is
Kinematic Viscosity, the Kinematic Viscosity Data Entry window will open
and for other properties, the Refinery Inspection and User-defined
Special Properties Data Entry window will open.
In the Kinematic Viscosity Data Entry window or the Refinery Inspection
and User-defined Special Properties Data Entry window, for each
component, enter either a Data value or an Index value. For each
component, enter either a Data value or an Index value. If an Index value
is entered, Reference Index Data must also be entered. For some
properties, the Index method is not applicable and neither Index values
nor Reference Index Data may be entered. If the property is Kinematic
Viscosity, enter values at two temperatures.
In the User Formula Data Entry window, for each component, enter a
Data value, which will be passed to a linked User-added Subroutine. Up
to twenty real and integer values an also be passed to the subroutine.
The meaning of the data are determined by the calculation subroutine.
Chapter 8
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K-values,
Liquid activity coefficients,
Vapor fugacity coefficients,
Vapor pressures, and
Poynting correction.
K-values,
Liquid fugacity coefficients, and
Vapor fugacity coefficients.
Chapter 8
The validation is carried out in the PRO/II - Binary VLE/VLLE Data window which
is opened by selecting the Binary VLE option from the Tools menu or by clicking
BVLE toolbar. This window is only available when at least two components and a
thermodynamic method have been selected.
Select
from the Tools menu or click BVLE toolbar to bring up the
PRO/II - Binary VLE/VLLE Data window.
Select the required components for the equilibrium calculations from the
drop-down lists.
Next, select constant pressure or temperature operation and enter the
value.
Finally, click Calculate to generate plots (by default, all available plots will
be generated). If Excel is selected on the Plot Setup option, from the
Options menu, tabular data are available in the spreadsheet. Otherwise,
only the plots are shown.
Note: For complete technical details, see the Utilities topic in the PRO/II
Reference Manual.
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Chapter 9
Unit Operations and Utility
Modules
This chapter describes how to use unit operation models. Also described are the
use of utility modules such as the Calculator, Controller, Flowsheet Optimizer
and similar functionalities.
For ease of reference, both the unit operation models and the utility modules are
presented together in alphabetical order:
Calculator . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9-1
Column, Batch . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-18
Column, Distillation . . . . . . . . . . . . . . . . . . . . . . . . .9-19
Column, Liquid-Liquid Extraction . . . . . . . . . . . . . .9-34
Column, Side . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9-39
Compressor . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-42
Controller . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9-46
Crystallizer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-48
Cyclone . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9-51
Depressurizing Unit . . . . . . . . . . . . . . . . . . . . . . . . .9-57
Dissolver . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9-62
Expander . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-63
Flash . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
9-65
Flash with Solids . . . . . . . . . . . . . . . . . . . . . . . . . . . 9-69
Flowsheet Optimizer . . . . . . . . . . . . . . . . . . . . . . . . 9-70
Heat Exchanger, LNG . . . . . . . . . . . . . . . . . . . . . .. .9-75
Heat Exchanger, Rigorous . . . . . . . . . . . . . . . . . . . .9-77
Heat Exchanger, Simple . . . . . . . . . . . . . . . . . . . . .9-85
Heating/Cooling Curves . . . . . . . . . . . . . . . . . . . . . .9-89
Mixer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
9-93
Multivariable Controller . . . . . . . . . . . . . . . . . . . . . .9-94
Phase Envelope . . . . . . . . . . . . . . . . . . . . . . . . . . .9-97
Pipe . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
9-99
Procedure Data . . . . . . . . . . . . . . . . . . . . . . . . . . .9-105
Pump . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
9-113
Reaction Data . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-114
Reactor . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
9-118
Reactor, Batch . . . . . . . . . . . . . . . . . . . . . . . . . . . .9-128
Reactor, Polymer . . . . . . . . . . . . . . . . . . . . . . . . . .9-104
Solids Separator . . . . . . . . . . . . . . . . . . . . . . . . . ..9-129
Chapter 9
Splitter . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
9-130
Stream Calculator . . . . . . . . . . . . . . . . . . . . . . . . . .9-132
SPEC/VARY/DEFINE . . . . . . . . . . . . . . . . . . . . . . . . .9-135
User-Added Operations . . . . . . . . . . . . . . . . . . . . . . .9-151
Valve . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
9-163
Wiped Film Evaporator . . . . . . . . . . . . . . . . . . . . . . .9-164
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Calculator
General Information
The Calculator is a versatile utility module useful for a variety of purposes in flow
sheet simulation. Parameters may be retrieved from the flow sheet and
calculations performed using a FORTRAN-like language. Parameters may be
returned to the flow sheet for use by other unit operations. Some uses for the
Calculator include:
Calculating special stream properties
Simulating special processing units such as reactors
Determining operating conditions for other unit operations
Performing design calculations using flow sheet information
Producing special output values for reports
Computing utility costs and economic functions
Calculating target values for Controllers or objective functions for
Flowsheet Optimizers
This is by no means an exhaustive list; the usefulness of this module is limited
only by the ingenuity of the user.
All Calculators have two main sections: Setup and Procedure. In the setup
section, unit and stream parameters are retrieved from the flow sheet, constants
are defined, names are assigned to calculated results, a sequence table is set up
for the streams used for input and output, and the dimensions for the various
working arrays may be expanded if desired.
The Procedure section is where all calculations are performed, using a simple
language based on FORTRAN 77. The language permits the use of
mathematical functions, branching and looping, and assignment statements
commonly used in programming. Special intrinsic functions are available for
retrieving flow sheet component and stream information. Special subroutines are
provided for storing calculated results directly in flow sheet streams. Calculated
results may also be stored in the Results array, making them available to the
other unit operations in PRO/II. A special solution flag is provided for use when
a Calculator models a unit operation.
Chapter 9
Calculator Setup
Start Setup by clicking Edit/View Declarations on the Calculator main data entry
window to open the View Area:
Click Parameters to retrieve flow sheet parameters into the Calculator.
These variables are accessed in the Calculator procedure as elements of
array P. Click the Calculator parameter linked text to open the Definition
window where you can specify the stream or unit flow sheet parameter to
be retrieved. The format for this window is identical to that used for the
DEFINE and is described in the SPEC/VARY/DEFINE section of this
chapter. In this window, you will find a list of the unit and stream
parameters that may be retrieved via DEFINE.
Click Constants to enter the constant values. These variables are
accessed in the Calculator procedure as elements of array C. Although
you can enter constants directly in the procedure, this array provides a
means for collecting constants that need to be updated occasionally into
a common location.
Click Results to enter names for the Calculator results. These values
are accessed in the Calculator procedure as elements of array R. These
names will be used in the output report.
Click Stream Sequence to define an ordered table of flow sheet
streams. There are two functions for this table. First, it provides a
necessary link between the procedure and the flow sheet streams for
information flow. Second, a calculation loop may be performed in the
procedure for a range of streams, using the positions of the streams in
the table to control the loop order.
Click Arrays to declare the length of the storage arrays used by the
Calculator. These arrays include the P, C, R arrays defined above, and
the IS array that is used to hold stream variables. This array is described
in the Calculator Procedure discussion. Two additional arrays appear
here. In earlier versions of the Calculator, all local variables had to reside
in one of these arrays, V for real variables and IX for integers. Now that
any valid FORTRAN variable name can be used, these arrays are no
longer needed. Nonetheless, they are still available so that older
Calculators will work without rewriting.
Once Setup is complete, click Hide Declarations to close the View Area.
Calculator Procedure
Note: The PROCEDURE section is required and must end with a RETURN
statement.
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The FORTRAN procedure is entered directly into the Procedure field on the
Calculator main data entry window. The procedure may be checked as is it
composed by clicking Check Procedure.
The supported features of the language are discussed in the following sections.
Predefined Variables
Definitions of predefined variables, including default dimensions for arrays,
appear in the following table. Use a DIMENSION statement in the Calculator
setup section to reset the number of elements in each array.
Arrays C, P, V, and R store values in floating-point form. Array IX stores integer
values. Forms of use include:
An
where A is any of C, P, V, R,orB and n is an integer indicating a single element of
the array.
A(index)
where A is any of C, P, V, R,orB and (index) is an expression, such as (IX2 * 5).
The parentheses are required. A(n) denotes the same element as An.
Instead of, or in addition to the supplied V and IX arrays, standard FORTRAN
variables may be used. They may be up to 8 characters long and may not
duplicate the names of any supplied variables; otherwise they follow the
conventional FORTRAN rules. The introduction of this feature in PRO/II 5.0
means that the V and IX arrays need not be used. If this is the case, the arrays
can be dimensioned to one word each to save memory.
Chapter 9
Default Dimension
(for arrays)
Description and
Comments
Cn or C(index)
1<=n<=50
Pn or P(index)
1<=n<=50
Vn or V(index)
1<=n<=200
Rn or R(index)
1<=n<=200
IXn or IX (index)
0<=n<=9
ISn
0<=n<=9
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on the SEQUENCE
statement.
ISOLVE
MAXC
Total number of
components in the problem.
MAXS
Maximum number of
streams in the problem.
Chapter 9
Fortran Statements
Procedure
This statement marks the start of the FORTRAN-based procedure section of the
Calculator. It is required.
Declaration Statements
REAL
INTEGER
DIMENSION
These statements are used to define local scalars and arrays for use in the code.
Each subscript may be an integer constant, or two integer constants separated
by a colon to specify both the lower and upper array bounds. When defined by
the DIMENSION statement, variables assume the normal FORTRAN convention
that assigns names starting with I through N as integers, and all others as real.
Name lengths may be 8 characters long. Variables defined here may be changed
in the code. Variables not defined here are assumed to be real or integer
according to the first character.
Variable names must not conflict with any reserved words or predefined variables
(see table entitled Predefined Variables).
Examples:
DIMENSION A(20,20), B(20), X(20)
REAL MASS
INTEGER COUNT, TAB(100)
REAL REVENU(1990:1995), PROFIT(1990:1995),
LOSS(1990:1995)
Note: A variable may only appear once in these statements. The following is
valid in standard FORTRAN, but not in a Calculator Procedure:
REAL MOLWT
DIMENSION MOLWT(50)
Both standard FORTRAN and the Calculator accept this equivalent form:
REAL MOLWT(50)
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Assignment Statements
nn variable =expression
Note: The Calculator-supplied arrays Cand P may not appear on the left side of
an assignment statement.
Chapter 9
ABS
DIM
EXP
INT
LOG
LOG10
MIN
MAX
MOD
NINT
SQRT
SIN
COS
TAN
ASIN
ACOS
ATAN
SINH
COSH
TANH
Description
Absolute Value
Positive Difference
Exponential e
Truncation
Natural Logarithm
Common Logarithm
Minimum Value
Maximum Value
Remainder
Nearest integer
Square Root
Sine (radians)
Cosine (radians)
Tangent (radians)
Arc Sine (radians)
Arc Cosine (rad)
Arc Tangent (rad)
Hyperbolic Sine
Hyperbolic Cosine
Hyperbolic Tangent
Arguments
Type of Result
Number
Type
1
2
1
1
1
1
>=2
>=2
2
1
1
1
1
1
1
1
1
1
1
1
real
real
real
real
real
real
real
real
real
real
real
real
real
real
real
real
real
real
real
real
real
real
real
integer
real
real
real
real
real
integer
real
real
real
real
radian
radian
real
real
real
real
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Description of Property
Molecular weight
Normal boiling temperature
Specific gravity (60F/60F)
Critical temperature
Critical pressure
Critical volume, cc/gm-mole
Acentric factor
Stream Properties
SMR(sid)
SWR(sid)
SLVR(sid)
SGVR(sid)
STEMP(sid)
SPRES(sid)
Chapter 9
Description
SMR
SWR
SLVR
SGVR
STEMP
SPRES
value This argument supplies or identifies the value of the property to store. It
can be a real constant or variable.
sid The sid entry identifies the stream in which to store the property. It may be
any stream identifier listed on the SEQUENCE statement of the setup section, or
an element of array IS in the form Isn. For example:
CALL SRXSTR(STEMP, R(14), SR4)
stores the value of element 14 from array R as the temperature of stream SR4.
nn CALL SRVSTR(type, array, sid, i, j) A call to SRVSTR stores a range of
values representing component stream properties from a Calculator array into a
stream. The resulting stream is flashed at the new conditions to determine its
thermodynamic state.
type This entry identifies the component property to store in the stream.
Available options are listed in in the following table.
Stream Component Properties Stored by SRVSTR
type=
Description
SCMR
SCWR
SCLVR
SCGVR
array The initial element of a real Calculator array containing values to store as
properties of components in a stream.
sid The sid entry identifies the stream in which to store the property. It may be
any stream identifier listed on the SEQUENCE statement of the setup section, or
an element of array IS in the form ISn.
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IF Statements
nn IF (expression) conditional clause.This statement allows logical branching
during calculations and conforms to standard FORTRAN rules for IF
statements. If the parenthetic expression is true, it executes the conditional
clause. The conditional clause may not be one of the following:
REAL
INTEGER
DIMENSION
IF
ELSEIF
ELSE
ENDIF
DO
RETURN
Description
.EQ.
.NE.
.LT.
.GT.
.GE.
.LE.
.AND.
.OR.
.EQV.
equal to
not equal to
less than
greater than
greater than or equal to
less than or equal to
both true
either true
equivalent
Chapter 9
not equivalent
true/false toggle
.NEQV.
.NOT.
nn IF (expression) THEN
ELSEIF (expression) THEN
ELSE
ENDIF
DO Loops
nn DO mm iname= i, j, k - This statement defines the beginning of a DO
loop having a range extending through statement label mm. i and j are initial
and final indices, respectively. The increment step kis optional and defaults to
1.
nn DO mm ISn= sid1, sid2 - This statement defines the beginning of a stream
DO loop having a range extending through statement label mm.
ISn is a stream variable, and sid1 and sid2 must be stream ids appearing on the
SEQUENCE statement. No incremental step index (comparable to k) is allowed.
OPEN Statement
nn OPEN(FILE=fileide, ACCESS=OVERWRITE orAPPEND)
The OPEN statement opens a file for CALCULATOR output. For PC, VAX, and
UNIX platforms, the default output name is fileid.CAL, where fileid is the current
input file name. A unique filename of up to 12 characters, can be specified, if
necessary. It must, however, have a .CAL extension. Underscore characters
are not allowed (e.g., FILE_01). Any OPEN statement automatically closes the
previously opened file.
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OUTPUT Statement
nn OUTPUT {R(i :j ),P(i :j ),C(i :j ),V(i :j ),IX(i :j ),IS (i :j )}
This is a special OUTPUT statement provided with PRO/II. It outputs calculatorsupplied arrays or portions of these arrays to the currently open file. Entries i
and j refer to the first and last elements of the array to be output. If they are
absent, the entire array will be output.
DISPLAY Statement
nn DISPLAY {R( i :j ),P( i :j ),C( i :j ),V( i :j ),IX(i :j ),IS(i :j )}
The DISPLAY statement prints out calculator-supplied array values to the
standard report file during calculations. Entries i and j are defined in the same
way as the OUTPUT statement.
TRACE Statement
nn TRACE option
TRACE statements control printing an historical trace as calculations proceed to
facilitate debugging the code in the procedure. Options are:
ON Prints line number, statement number, and (action taken/new variable value)
as each statement executes.
BRANCH Prints TRACE information only for branching statements such as IF,
GOTO or DO.
OFF Turns off all TRACE options.
Examples:
TRACE BRANCH Traces branching only.
TRACE OFF No trace at all.
TRACE ON Traces every statement.
Chapter 9
where the D86 points are in F. The final results in C are stored in R(1) through
R(6).
Before entering the procedure FORTRAN code, it is necessary to specify the
streams (V1 through V6) and establish the two pertinent parameters (the D86
10% and IBP temperatures) for each stream:
Open the Calculator main data entry window by double-clicking the
Calculator icon on the PFD.
Click Edit/View Declarations to display the View Area box. Click
Parameters to display the Parameters data entry table.
Enter a number in the Parameter Number data entry field to enable the
Calculator Parameter linked text. Click on the linked text to open the
Definitions window.
Check the Set Up Definition for Calculator Parameter P(1) box to enable
the Calculator Parameter = Parameter linked text.
Click the Parameter hypertext to open the Parameter window where
you can specify whether the parameter will be a constant,a stream
parameter or a unit parameter. The Constant/Stream/Unit list box
displays a list with the options Constant, Stream and the various types
of unit operations that have been placed on the flowsheet.
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For this sample problem, select the Stream option and choose V1 from
the Stream Name: drop-down list box. Choosing a stream name enables
the Parameter hypertext.
Click the linked text to open the Parameter Selection data entry window.
For this sample, choose Distillation Curve from the options in the
Parameter window. The center window will now display the available
distillation curve options. Select D86 from the distillation curve options
and choose the desired cut point (here, 10%) from the Volume Percent
Distillate drop-down list box.
This completes the parameter specification for the D86(10%) point of the first
stream, V1. Repeat these steps to define the D86(Initial Point) for the first
stream, V1, then define the D86(10%) and D86(Initial Point) for the remaining
five streams.
Enter the following code into the Procedure window (at this point, this
window should still be outlined in red).
DIMENSION D8610(6), D86IP(6)
DO10 I =1,6
$
$ COPY PARAMETERS TO LOCAL ARRAYS,
$ CONVERTING TO DEG F
D8610(I) = P(2*I-1) * 1.8 + 32.
D86IP(I) = P(2*I-1) * 1.8 + 32.
$
$ EVALUATE FORMULA
D86AVG = (D8610(I) + D86IP(I)) / 2.
FP = (D86AVG * .64 - 100.
$
$ CONVERT BACK TO DEG C AND STORE
R(I) = (FP - 32.) / 1.8
10 CONTINUE
RETURN
Chapter 9
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Chapter 9
CAPE-OPEN
General Information
The PRO/II CAPE-OPEN unit operation enables the users to add third party
CAPE-OPEN units. This will help the user to simulate and perform any type of
calculation for a specific unit operation placed in a flow sheet.
CO-LaN (the CAPE-OPEN Laboratories Network) is a neutral industry and an
academic association promoting open standards in process simulation software.
CAPE-OPEN has uniform standards for interfacing process modeling software
components developed specifically for the design and operation of chemical
processes. These standards allow integration of different software components
like unit operations and thermodynamic property packages from different vendors
into a single simulation.
PRO/II supports both versions of 0.9.3 and 1.0 of the CAPE-OPEN interfaces.
The CAPE-OPEN Unit Operation has access to the following:
Property values exchanged between PRO/II and CAPE-OPEN unit operation are
in SI units.
CAPE-OPEN interface descriptions and information are available at
http://www.colan.org/
Note: If transport properties are required in the CAPE-OPEN unit operation, you
must select a suitable method in the Thermodynamic Data if PRO/II
thermodynamics is selected.
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If the CAPE-OPEN unit operation does not have an installation program, follow
the steps mentioned below to manually register the unit operation .
1. Identify the DLL file of the CAPE-OPEN unit operation.
2.Type "regsvr32 myunitop.dll", where "myunitop.dll" is the name of the DLL of
the CAPE-OPEN Unit Operation.
3.Identify the "progid" of the CAPE-OPEN unit operation. The "progid" is a short
text string, such as "SimSci.Mixer" that Windows uses to identify the DLL.
Contact the developer of the unit operation to determine the "progid".
4.From the command prompt, type "CapeRegister.exe progid".
"CapeRegister.exe" is an utility available in the PRO/II "bin" directory.
Chapter 9
Calculation
During calculations, PRO/II calls the Validate() and Calculate() method of the
CAPE-OPEN unit operation. Property and flash calculations are delegated to
property package if property package is selected as unit thermodynamics. If
PRO/II thermodynamics is selected for a CAPE-OPEN unit operation, it may call
TP,TH,PH,TVf and PVf flashes(CalcEquilibrium) for input or output streams. The
following properties can be calculated using PRO/II thermodynamics.
CAPE-OPEN
identifier
Property meaning
Phases Supported
vaporPressure
surfaceTension
compressibilityFactor
heatCapacity
idealGasHeatCapacity
viscosity
thermalConductivity
fugacity
logFugacityCoefficient
kvalues
dewPointPressure
dewPointTemperature
temperature
pressure
volume
density
enthalpy
entropy
gibbsFreeEnergy
flow
Liquid
Liquid
Liquid, Vapor, Overall
Liquid, Vapor, Overall
Vapor
Liquid, Vapor, Overall
Liquid, Vapor, Overall
Liquid, Vapor
Liquid,Vapor
Overall
Overall
Overall
Liquid, Vapor, Overall
Liquid, Vapor, Overall
Liquid, Vapor, Overall
Liquid, Vapor, Overall
Liquid, Vapor, Overall
Liquid, Vapor, Overall
Liquid, Vapor, Overall
Liquid, Vapor, Overall
fraction
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phaseFraction
Liquid, Vapor
totalFlow
molecularWeight
boilingPointTemperature
Report Generation
If the custom reports is supported by CAPE-OPEN unit operation, select and
right click the unit operation. This action will display a menu with Produce
Report as one of the options. Select Produce Report to open a text file.
If the custom reports are not supported, the menu will have View Results as
one of the options. Select View Results to display all input and output parameters
with their values.
Note:The standard report of PRO/II will have all input and output parameters with
their values for CAPE-OPEN units.
Chapter 9
Column, Batch
General Information
The Batch Column unit operation models a wide range of column operating
scenarios. The Batch Column unit may be run in a true batch simulation mode,
with the feedstock charged to the stillpot prior to distillation and products taken
from the accumulator at various times, or in a semi-batch mode where feedstock
may be introduced during distillation and products drawn from the column or
accumulator over some time interval. Batch distillation calculations may also be
integrated into a steady-state process simulation.
The unit configuration automatically considers the presence of implicit holding
tanks for continuous flow streams which provide the time-variant feedstock to the
batch unit. Implicit consideration of holding tanks for all product streams (as
drawn from the accumulator at different times, or as drawn from the column
during distillation) is also made because of the cyclic operation. A representation
of the product continuous flow stream comes from the amount of product divided
by the batch cycle time.
Thermodynamic System
The thermodynamic system for the Batch Column may be specified for the unit
as a whole or for selected trays. Batch Column also allows the use of electrolyte
thermodynamic methods.
Detailed Information
For detailed information about the use of the Batch Column unit operation,
consult the PRO/II Add-On Modules Users Guide.
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Column, Distillation
General Information
The Column unit operation may be used to simulate any distillation or liquid-liquid
extraction process. Liquid-liquid extraction units are described in the LiquidLiquid Extraction Column section of this chapter. A column must contain at least
one equilibrium stage or theoretical tray. For purposes of this discussion, the
term trays is used to denote equilibrium stages. The trays are considered to
be linked with the vapor from each tray entering the next higher tray and the
liquid from each tray feeding the next lower tray. There is no limit on the number
of trays in a column model.
The condenser, when present, is always numbered as tray one and the reboiler,
when present, is assigned the highest tray number in the model. Any tray may
have a feed, product draw, or duty. The top and bottom trays must have either a
feed or a duty.
Distillation columns may simulate vapor/liquid, vapor/liquid/water or
vapor/liquid/liquid equilibrium processes.
Chapter 9
For products, the product type, phase, tray number, and flow rate are supplied in
this window. There is no limit on the number of products a distillation column may
have and products may be withdrawn from any tray of the column. Product types
include: Overhead, Bottoms, Fixed Rate Draw, Total Phase Draw, and
Pseudoproduct. Every column must have an overhead product leaving tray one
and a bottoms product leaving the highest numbered tray. The Sure, Inside-Out
(IO) and Enhanced IO algorithms may have a decanted water product from tray
one (the condenser).
The Sure algorithm may also have water draws from any tray. For
vapor/liquid/liquid equilibrium (VLLE) processes, either of the liquid phases may
be drawn from any tray in the column.
You must supply product rates for all fixed rate draw products in molar, mass, or
liquid volume units. You must also provide an estimated value for either the
overhead or bottoms product. For total draw products, the supplied rate is always
assumed to be an estimate. The estimated value for the overhead or bottoms
rate should be as accurate as possible to enhance convergence. You must use a
Performance Specification to set a desired flow for the overhead or bottoms
product.
Pseudoproducts
Pseudoproducts are used to create streams corresponding to column internal
streams, making them available for flow sheet calculations. Define
pseudoproducts in the Column Pseudoproducts window which you may reach by
clicking Pseudoproducts on the Column Feeds and Products window. The
following types of pseudoproducts are available:
Net tray liquid or vapor flow
Total tray liquid or vapor flow
Pumparound liquid or vapor bypass flow
Thermosiphon reboiler feeds and products
Thermosiphon reboiler streams are limited to the Inside-Out algorithm.
Column Algorithm
Select the solution algorithm from the drop-down list box, on the Column main
data entry window. The available algorithms are: Inside-Out (the default), Sure,
Chemdist, Liquid-Liquid, Enhanced IO, and Electrolytic. Detailed information
about the column algorithms is available in the online help.
Inside-Out: The Inside-Out algorithm is the preferred option for most distillation
problems, especially those involving systems of hydrocarbons, because of its
speed and insensitivity to the estimated solution profiles.
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Sure: The Sure algorithm should be used for columns where free water exists on
multiple trays.
Chemdist: The Chemdist algorithm is well suited to highly nonideal systems and
VLLE processes.
Liquid-Liquid: The Liquid-Liquid algorithm is used to model liquid-liquid
extraction units described in the Liquid-Liquid Extraction Column section of this
chapter.
Enhanced IO: The Enhanced IO column algorithm extends the capabilities of the
default Inside-Out algorithm. Enhanced IO allows zero flowrates, water decant off
any tray, total draws from trays and pumparounds.
Electrolytic: The Electrolytic method is used to model non-ideal aqueous
electrolytic distillation columns involving ionic species. Refer to the PRO/II AddOn Modules Users Guide for detailed information on this column algorithm.
Reactions
Reactions in the column can be modeled by the Chemdist or Liquid-Liquid
extraction algorithms found in the Algorithm drop-down list of the Column
window. Enter pertinent data in the Column Reaction Selection window
accessible via the Reactions button on the Column window. In the Column Reaction Selection window, you can select and modify column reactions, specify
stage-wise reacting volumes, designate non-condensible components, select
non-volatile catalysts and specify data for user-added subroutines or kinetic
proce-dures. The reactions specified here are limited in scope to the simulation
of reactive distillation and (reactive) liquid-liquid extraction.
Chapter 9
The selected reaction sets can also be assigned to individual trays (or ranges of
trays) by selecting reaction sets from a drop-down list under Column Reaction
Set and then entering a tray range, i.e., starting tray to ending tray.
Note: Although you can modify a local copy of a reaction set in the column, the
original reaction set specified in the Reaction Data section remains unchanged.
Reacting Volumes
The user can specify volume available for reaction (effective volume) per stage
for both liquid and vapor phase reactions in the Column Tray Effective Reaction
Volumes window accessible from the Reaction Selection window. A tabulation of
tray numbers and the respective volumes is provided for data entry. This
specification is used in calculating the rate of kinetic reaction.
Nonvolatile Catalyst
Components that catalyse a reaction without volatilizing can be selected and the
quantity of their charge specified as an amount or a fraction in the Column - NonVolatile Catalyst for Boiling Pot window accessible from the Column - Reaction
Selection window.
Noncondensibles
Noncondensing components can be specified in the Column - Non-Condensing
Components window accessible from the Column Reaction Selection window.
Subroutine/Procedure Data
Data used for user-added subroutines and kinetic procedures can be specified in
the form of Integer, Real and Supplemental Data entries in the Column - User
Subroutine and Procedure Data window accessible from the Column - Reaction
Selection window via the Subroutine/Procedure Data button. See the Reaction
Data and Procedure Data sections, in this chapter, for detailed information on the
data requirements for these utility modules.
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Calculated Phases
Select the appropriate phase system in the drop-down list box on the Column
main data entry window. All distillation algorithms support the default phase
system of vapor/liquid. The Sure and Chemdist algorithms also support the
vapor/liquid/liquid system. In addition, the Sure and Enhanced IO algorithms
support the phase system vapor/liquid/water that allows a free water phase on
any tray of a column.
Number of Trays
Enter the number of trays in the model, in the data entry field provided on the
Column main data entry window. Every Column must have at least two trays.
There is no limit on the number of trays in a Column.
Number of Iterations
Supply the number of iterations in the data entry field provided on the Column
main data entry window. The number of iterations corresponds to the number of
outer loop trials for the Inside-Out algorithm and the number of trial solutions for
the other algorithms. A nonconvergence is flagged when this number of iterations
is performed and the column equations are not satisfied within the tolerances.
The default values are 15 for the Inside-Out algorithm, 10 for the Sure algorithm
and 20 for the Chemdist algorithm.
Pressure Profile
The pressure for every tray in a column model must be defined. All calculations
are performed at the defined tray pressures. Define the tray pressures in the
Column Pressure Profile window which you may reach by clicking Pressure
Profile on the Column main data entry window. Tray pressures may be
supplied on an overall or tray-by-tray mode by choosing a radio button in this
window.
Chapter 9
For the overall mode, supply the top tray pressure (tray two for columns with
condensers) and either the pressure drop per tray or the total pressure drop
aross the column. A default value of zero is supplied for the pressure drop per
tray and the column pressure drop. All tray pressures are derived by linear
application of the supplied pressure drop.
Individual tray pressures are supplied for the tray by tray mode. Note that the top
and bottom trays must be included when supplying a table of individual tray
pressures. Missing pressures are determined by linear interpolation of supplied
values. This method is useful for defining the pressure profile for columns with
irregular pressure profiles such as refinery vacuum units.
Condensers
The condenser is always a heat sink on tray one. It is defined in the Column
Condenser window, which you may access by clicking Condenser on the
Column main data entry window. The top products from columns with
condensers correspond to the products from the reflux accumulator drum. The
pressure for all types of condensers is supplied in this window.
The condenser type is selected with the appropriate radio button from the
following options:
Partial: This condenser is an equilibrium stage and may or may not have a net
liquid product as well as vapor product. The net liquid product, if present, is
defined as a Fixed rate liquid draw from tray one. The condenser temperature is
the dew point of the equilibrium vapor. An optional estimate for the condenser
temperature may be supplied in the Column Condenser window. The condenser
pressure and duty may also be supplied.
Bubble Temperature: The tray two vapor is cooled to a bubble point liquid
phase. While one portion is returned as reflux to tray two, the other portion is
withdrawn as the Overhead product from the column. An optional estimate for
the condenser temperature may be supplied in the Column Condenser window.
The condenser pressure and duty may also be supplied.
Subcooled, Fixed Temperature: The tray two vapor is cooled below its
bubble point as defined by a subcooled temperature provided in this window.
PRO/II ascertains that the product is subcooled, and if, not, signals a
nonconvergence condition with an appropriate diagnostic message. The
subcooled liquid product is designated the Overhead product from the column.
The condenser pressure and duty may also be supplied.
Subcooled, Fixed Temperature Drop: This condenser is the same as the
subcooled type described above except that the degrees of subcooling below the
product bubble point is defined, always resulting in a subcooled Overhead
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product. The duty and pressure for the condenser may also be supplied in this
window, if desired. If the duty is designated as a parameter to vary, any supplied
duty for any of these condenser options is used as an estimate.
Subcooled Reflux Only: This option will be enabled only if you have selected
Partial or Bubble Temperature under Condenser Type. Select the appropriate
Temperature specification namely, Fixed Temperature or Temperature Drop that
needs to be followed in the Subcooled reflux for the chosen condenser type.
Column Reboilers
Column reboilers are described in the Column Reboiler window which is entered
via the Reboiler button on the Column main data entry window. The reboiler type
is selected with a radio button on this form.
The default type is the Kettle (Conventional) reboiler, which corresponds to a
duty on the bottom tray of the column with the equilibrium liquid withdrawn as the
Bottoms product.
For both Inside-Out and Enhanced IO algorithm, following reboiler types are
available to the user.
For other algorithms, only default type is made available to the user.
The thermosiphon without baffles type corresponds to the case when the Column
bottom product and reboiler feed are withdrawn from a common sump.
Note: Thermosiphon reboilers with baffles in which the reboiler return flows into
the reboiler sump and overflows to the product sump are equivalent to the no
baffles type for simulation purposes and should be modeled as such.
One specification may be selected for thermosiphon reboilers by choosing the
appropriate radio button and entering a value in the field provided. Choices
include:
An estimate for the return fluid liquid fraction or circulation rate, as is applicable,
may be given to enhance convergence. The duty for the reboiler may also be
Chapter 9
Flash Zones
The Flash Zone calculation models a fired heater added to a tray in an Inside-Out
column. Flash zones are associated with column heaters when a feed stream
entering the column is heated in a separate furnace. The furnace is considered
as an additional theoretical stage. Liquid from the tray above the flash zone or
vapor from the tray below the flash zone could enter the flash zone or they can
bypass it. Data entry fields for flash zones can be accessed through the likenamed button on the Heater data entry window. Specification options include
fired heater efficiency, vapor and liquid by-pass fractions and transfer line
temperature drop.
Note: If you are working with RATEFRAC
Overall, or,
By Individual Trays
RATEFRAC
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For the Overall option, the heat leak duty for all of the trays except the reboiler
and condenser is given on a per tray basis or total column basis. A heat leak may
also be provided for the condenser and the reboiler, if desired.
For the By Individual Trays option, heat leak duties for ranges of trays are
supplied as tabular input. At least two values must be supplied. Heat leaks for
trays not given, but which lie between trays with defined heat leaks, are
determined by linear interpolation.
Note: If you are working with RATEFRAC routines, this option is disabled.
Chapter 9
Initial Estimates
All column algorithms use an iterative solution technique, starting from an initial
estimate of the tray temperature, flow and composition profiles. The initial
estimate may be produced internally using an initial estimate generator and/or
provided by the user as initial profile data. User-supplied profiles may also be
used to selectively replace values produced by an estimate generator.
Click Initial Estimates on the Column main data entry window to enter the
Column Initial Estimates window. To use an initial estimate generator, select the
generator method from the drop-down list box. Methods provided are:
Simple: Profiles are determined by a simple material balance. Temperatures are
determined from estimated product compositions. This model is quick and
adequate for simple column configurations.
Conventional: A general method designed to produce an adequate estimate for
most distillation problems. Shortcut calculations are used to estimate the product
flows and compositions. The compositions are used to estimate temperatures.
Internal flows are estimated by using the product flows and a reflux estimate.
This method works best for conventional fractionators with condensers and
reboilers in which classic Fenske techniques provide reasonable results. Special
techniques are also included for absorbers and strippers.
Refinery: This method is designed for complex refinery columns which have
bottom steam instead of reboilers such as crude and vacuum columns, F.C.C.
main fractionators, etc. These columns may also have side columns,
pumparound cooling circuits, and decanted water at the overhead accumulator. A
multi-product shortcut technique developed by SIMSCI is used for these
columns. The user-supplied estimates for the product rates are used in the
shortcut model. Adjustments in the profiles are made for side coolers.
Chemical: This generator should be restricted to highly nonideal chemical
distillation problems. The method is time-consuming and uses successive series
of adiabatic flashes up and down the column to establish the tray compositions.
When using an estimate generator, you may optionally provide temperature
estimates for the following trays: condenser, top tray, bottom tray of column, and
reboiler. You may also provide an estimate for the reflux rate or reflux ratio.
When no reflux estimate is provided by the user, PRO/II supplies a reflux ratio of
3.0 (which solves many columns). Any supplied data replaces values predicted
by the estimate generator.
When an initial estimate generator is not used, the minimum data which must be
supplied as input profiles are tray temperatures and flows, either vapor, liquid, or
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a combination thereof. Note that the minimum data which may be supplied are
the temperatures and flows for the top and bottom trays for the column. While
these are the minimum data required, they are rarely adequate to produce an
acceptable initial estimate. It may also be desirable to provide solution profiles
from a converged solution to speed future calculations with a column model.
Initial profiles are entered in tables accessed by clicking the following buttons on
the Column Initial Estimates window:
RATEFRAC
Chapter 9
Performance Specifications
Performance specifications or SPECs may be imposed on a column operation
such that product stream flows or properties, column internal flows, column tray
temperatures, etc., are at desired values in the solution. For each SPEC, a
degree of freedom or VARY must be calculated. For a column, a VARY may be a
feed stream rate, heat duty, or the draw rate for a fixed rate draw. Furthermore,
for convergence to be achieved, there must be a direct effect on all of the SPECs
by the collective set of VARYs.
To supply SPECs and define VARYs for a column, click
PerformanceSpecifications on the main Column data entry window to access the
Column Specifications and Variables window. SPECs and VARYs are entered or
edited by clicking on the hypertext strings. PRO/II requires that there be an equal
number of SPECs and VARYs. Thus, whenever you add or delete a SPEC, you
are required to add or delete a VARY.
SPECs and VARYs use the general form in PRO/II and are discussed more fully
in the SPEC/VARY/DEFINE section of this chapter. A list of the stream and
column parameters which may be used for SPECs and VARYs is also given in
that section.
Convergence Data
Convergence data include Convergence Parameters, Convergence Tolerances,
Homotopy Options for Convergence Specifications and Convergence History
(printout options) for Column iterations. These data are entered in the Column
Convergence Data window accessible via the Convergence Data button on the
Column main data entry window.
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algorithm or 100 for the Chemdist algorithm. This factor does not apply to the
Sure algorithm.
Component Averaging Factor: This weighting factor for update of compositions
is used for the Sure algorithm. A factor of 1.0 gives equal weight to the current
and last set of compositions; a factor of 2.0 gives double weight to the last set of
compositions, and so forth. A default value of 0.0 is supplied by PRO/II.
Key Component: In rare circumstances, specifying a key component can
enhance the convergence for the Sure algorithm. The key component is normally
determined by PRO/II but may be specified by the user.
Stop if no improvement after 5 iterations: The number of consecutive Sure
algorithm iterations allowed without improvement in the solution. You can change
the number of iterations by clicking on the hypertext string. Changing this
parameter rarely, if ever, results in convergence.
Note: The use of tuning factors usually results in an increase in the time required
to solve a distillation problem.
Convergence Tolerances
Tolerances for the column equations may also be changed although this should
rarely, if ever, be done and never as a means to reach a converged solution.
Tolerances are:
Bubble Point: The maximum bubble point error for each tray.The default is 10 -3
Enthalpy Balance: The maximum heat balance error for each tray. The default
is 10-3 .
Equilibrium K-value: The maximum allowable relative change in a component
K-value generated in the outer loop of the Inside-Out algorithm versus the last
value used in the inner loop.The default is 10-3 . Not used for the RATEFRAC
routines.
Component Balance: The maximum relative component balance error for each
tray. Not used for the Inside-Out algorithm. The default is 10-3 .
RATEFRAC
Chapter 9
Convergence History
Printout of the column iterations is useful in the diagnosis of a convergence
failure. History printout for the iterations may be requested by selecting the
printout level desired for the following options.
RATEFRAC
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Tray Hydraulics
Tray hydraulic calculations may be used to size new columns and to rate existing
tray or packed columns. To perform sizing or rating calculations, click Tray and
Packing Data on the Column main data entry window. For sizing and rating
purposes, the column is divided into sections of trays or packing on the Column
Tray Hydraulics window. Enter tray/packing sizing and rating information in the
Column Tray/Packing Rating or Column Tray/Packing Sizing windows accessible
via the Enter Data button. The Glitsch valve tray method is used to perform the
tray calculations. The valve tray results are derated by five and twenty percent
respectively, to represent the performance of sieve and bubble cap trays.
For packed columns, random or structured packings are available, as are various
types of metallic and ceramic rings and saddles.
For sizing calculations, column diameter for each tray is sized independently to
meet the specified or default flooding criteria. The largest diameter in each
section is then selected and the entire section is rerated using the largest
required standard diameter.
For rating calculations, the percent of flood is calculated for each tray. The
feature of multiple sections of trays is useful in representing existing columns,
which often have a variety of tray and downcomer arrangements.
Column RATEFRAC routines tray options may be used to select the following
Vapor and liquid mixing characteristics
Correlation used to calculate Mass, Heat Transfer and Interfacial Area.
Base Segment: Enter the Tray number on which the characteristics need to be
set. Base Segment will be made available to the user only if you have selected
the following in the Column Tray Hydraulics dialog box:
Internal Tray
Calculation Type - Sizing
Liquid/Vapor Mixing: Select the appropriate Liquid/Vapor Mixing characteristics
from the drop list:
Complete
Linear
Logarithmic
The options are explained below:
RATEFRAC
Chapter 9
Complete
Linear
This option indicates that there is a linear concentration profile across the
tray.
Logarithmic
the tray.
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Rocha 1996 (Internals - Structured Packing and for both Sizing and
Rating calculation type)
Onda (Internals - Random Packing and for both Sizing and Rating
calculation type)
Interfacial Area
Select any of the listed correlation to calculate Interfacial Area:
Scheffe & Weiland (Internals - Trays and Sizing calculation type)
Chan & Fair (Internals - Trays and Rating calculation type)
Rocha 1996 (Internals - Structured Packing and for both Sizing and
Rating calculation type)
Onda (Internals - Random Packing and for both Sizing and Rating
calculation type)
Bravo (Internals - Random Packing and for both Sizing and Rating
calculation type)
If the user-defined correlation is available for any of the parameters mentioned
above, check Subroutine and select the user-defined correlation from the dropdown list.
Tray Efficiencies
All trays in a column model are treated as equilibrium stages or theoretical trays
unless one of the tray efficiency models is used. This implies that the user must
apply some type of tray efficiency to the actual number of trays in the column, to
determine the number of theoretical trays to use in the model. Engineers typically
use overall tray efficiency factors based on experience to convert actual trays to
theoretical trays. This is almost always the best manner in which to model tray
efficiency, since generalized correlations for overall tray efficiency are
nonexistent in the literature.
For the Inside-Out algorithm, PRO/II provides several tray efficiency models:
Murphree
Equilibrium
Vaporization.
For the Chemdist algorithm, only the Vaporization model may be used.
However, none of these models predicts the overall tray efficiency. All of the
models use an equation or factor to adjust the equilibrium vapor composition
leaving a tray. The models are useful for tuning a tray or a few trays in a Column
model, but their general application to all trays in a column is not recommended.
Chapter 9
To use tray efficiencies, click Tray Efficiencies on the Column main data entry
window to enter the Column Tray Efficiency window.Select the efficiency model
with a radio button and click Efficiency Data to begin the tabular entry of tray
efficiencies. Tray efficiencies may be given for all components on a tray or
selected components on a tray. An overall scaling factor may also be provided to
be applied to all tray efficiencies. This factor may be adjusted by a Controller unit
to meet a desired SPEC.
Side Columns
A column using the Inside-Out or Sure algorithm may have attached Side
Columns, where a Side Column is a stripper or rectifier. The Side Column draws
feed from the main Column and returns a product to the main Column. A finished
product is withdrawn from the Side Column.
Side Columns are attached as part of the flow sheet construction in the PFD
main window. They may be completed and edited by double-clicking on the side
column icon on the PFD. The side column data entry windows are identical to the
Column main data entry windows with the exception that irrelevant features are
eliminated.
The Inside-Out algorithm merges a side column with the main column, for
calculations. This simultaneous approach means that the SPECs and VARYs for
the main column and side columns need not be balanced provided that the
SPECs and VARYs for the total column configuration are balanced.
The Sure algorithm solves side columns as separate columns in recycle. This
approach is more time consuming, and demands that the SPECs and VARYs for
the main column and every side column are balanced.
The Chemdist algorithm does not permit side columns.
Print Options
Click Print Options on the Column main data entry window to enter the Column
Print Options data entry window. Select the desired report options with the check
boxes provided. To request plotted results, click Plot Column Results and
select the desired plots with the check boxes on the Column Plot Options data
entry window.
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Thermodynamic Systems
A thermodynamic system is required for the equilibrium calculations on each tray.
The thermodynamic system may be changed from the global default in the
Column Thermodynamic Systems data entry window, which is reached by
clicking Thermodynamic Systems on the Column main data entry window. A
single thermodynamic system may be defined for the complete column or
different systems may be used in individual sections of the column.
If a vapor/liquid equilibrium thermodynamic system is used for part of a column
with the Chemdist or RateFrac algorithm, additional checks may be performed to
determine which trays have two liquid phases by clicking the Test for VLLE or
VLE Trays check box. The thermodynamic system is then changed to a
vapor/liquid/liquid system for those trays.
If you are working with RATEFRAC routines, Test for VLLE or VLE Trays can
be performed by entering appropriate data in Column- VLLE Test Data window.
Chapter 9
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highest numbered tray. The product phase may be Light Liquid (Liquid 1) or
Heavy Liquid (Liquid 2).
Product rates must be supplied for all draw products. Rates may be supplied in
molar, mass, or liquid volume units. An estimated value must also be provided for
either the overhead or bottoms product. The estimated value for the overhead or
bottoms rate should be as accurate as possible to enhance convergence. It is
necessary to use a Performance Specification to set a desired flow for the
overhead or bottoms product.
Pseudoproducts
Pseudoproducts are used to create streams corresponding to column internal
streams, making them available for flowsheet calculations. Pseudoproducts are
defined in the Column Pseudoproducts window accessible via the
Pseudoproducts button on the Column Feeds and Products window. The
following types of pseudoproducts are available:
Net tray light or heavy liquid flow
Total tray light or heavy liquid flow
Column Algorithm
The solution algorithm is selected in the drop-down list box on the Column main
data entry window. The Inside-Out (default), Sure, and Chemdist algorithms are
for distillation columns. To specify a liquid-liquid extraction column, select the
Liquid-Liquid option.
Calculated Phases
When the Liquid-Liquid algorithm is selected, the phase system will automatically
be set to liquid/liquid.
Number of Trays
The number of trays in the model is entered in the data entry field provided on
the Column main data entry window. Every Column must have at least two trays.
There is no limit on the number of trays in a Column.
Chapter 9
Number of Iterations
The maximum number of trial solutions is supplied in the data entry field provided
on the Column main data entry window. The default value is 30 for the LiquidLiquid algorithm.
Pressure Profile
The pressure for every tray in a column model must be defined. All calculations
are performed at the defined tray pressures. The tray pressures are defined in
the Column Pressure Profile window, which is reached by clicking Pressure
Profile on the Column main data entry window. Tray pressures may be
supplied on an overall or tray by tray mode by choosing a radio button in this
window.
For the overall mode, the top tray pressure must be supplied and either the
pressure drop per tray or the total pressure drop aross the column. A default
value of zero is supplied for the pressure drop per tray and the column pressure
drop. All tray pressures are derived by linear application of the supplied pressure
drop.
Individual tray pressures are supplied for the tray by tray mode. Note that the top
and bottom trays must be included when supplying a table of individual tray
pressures. Missing pressures are determined by linear interpolation of supplied
values.
Initial Estimates
The Liquid-Liquid algorithm uses an iterative solution technique, starting from an
initial estimate of the tray temperature, flow and composition profiles. By default,
the initial estimate is produced internally using the initial estimate generator.
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User-supplied profiles may be used to replace some or all of the values produced
by the estimate generator.
Click Initial Estimates on the Column main data entry window to enter the
Column Initial Estimates window.
When using the initial estimate generator, profiles are determined by a simple
material balance. Temperatures are determined from estimated product
compositions. You may optionally provide temperature estimates for the top and
bottom trays which replace values predicted by the estimate generator, as well
as an estimate of the ratio of the liquid flows on tray 1.
When the initial estimate generator is not used, the data which must be supplied
as input profiles are tray temperatures and flows, either light or heavy liquid, or a
combination thereof. Note that the minimum data which may be supplied are the
temperatures and flows for the top and bottom trays for the column. While these
are the minimum data required, they are rarely adequate to produce an
acceptable initial estimate. It may also be desirable to provide solution profiles
from a converged solution to speed future calculations with a column model.
Initial profiles are entered in tables accessed by clicking the following buttons on
the Column Initial Estimates window: Net Vapor Rate ,
Vapor Composition , Tray Temperature , Liquid Composition
and Net Liquid Rate . Composition estimates are rarely needed for
most problems.
Performance Specifications
Performance specifications or SPECs may be imposed on a liquid-liquid
extraction column operation such that product stream flows or properties, column
internal flows, column tray temperatures, etc., are at desired values in the
solution. For each SPEC, a degree of freedom or VARY must be calculated. For
a liquid-liquid extraction column, a VARY may be a feed stream rate, heat duty,
or draw rate. Furthermore, for convergence to be achieved, there must be a
direct effect on all of the SPECs by the collective set of VARYs.
To supply SPECs and define VARYs, access the Column Specifications and
Variables window via the Performance Specifications button on the main
Column data entry window. SPECs and VARYs are entered or edited via the
hypertext strings. PRO/II requires that there be an equal number of SPECs and
VARYs. Thus, when a SPEC is added or deleted, you are required to add or
delete a VARY.
SPECs and VARYs use the general form in PRO/II and are discussed more fully
in the SPEC/VARY/DEFINE section of this chapter. A list of the stream and
Chapter 9
liquid-liquid extraction column parameters which may be used for SPECs and
VARYs is also given in this section.
Convergence Data
Convergence data include algorithm tuning parameters, tolerances, and history
printout options for Column iterations. Open the Column Convergence Data
window via the Convergence Data button on the Column main data entry
window to enter these data. The tuning parameters are as follows:
Damping Factor: A damping factor of less than unity may be used to improve
convergence when the convergence is oscillating. A default value of 1.0 is
supplied by PRO/II.
Error Increase Factor: This factor limits the increase in the sum of the errors
from iteration to iteration. PRO/II supplies a default value of 100.
Note: The use of tuning factors usually increases the solution time. Tolerances
for the liquid-liquid extraction column equations may also be changed although
this should rarely, if ever, be done and never as a means to reach a converged
solution.
Tolerances are:
Liquid-liquid: The maximum liquid-liquid equilibrium tolerance (equal to the
bubble point tolerance for VLE) for each tray. The default is 10-3 .
Enthalpy Balance: The maximum heat balance error for each tray. The default
is 10-3 .
Component Balance: The maximum relative component balance error for each
tray. The default is 10 -3 .
Printout of the liquid-liquid extraction column iterations is useful in
diagnosis of a convergence failure. History printout for the iterations may be
requested by clicking Convergence Data and selecting the printout level
desired.
Print Options
Click Print Options on the Column main data entry window to enter the Column
Print Options data entry window. Select the desired report options with the check
boxes provided. To request plotted results, click Plot Column Results and
select the desired plots with the check boxes on the Column Plot Options data
entry window.
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Thermodynamic Options
A thermodynamic system which supports liquid-liquid equilibrium is required for
the equilibrium calculations on each tray. The thermodynamic system may be
changed from the global default in the Column Thermodynamic Systems data
entry window which is reached by clicking Thermodynamic Systems on the
Column main data entry window. A single thermodynamic system may be
defined for the complete column or different systems may be used in individual
sections of the column.
Chapter 9
Column, Side
General Information
The Side Column unit operation models side strippers and side rectifiers
associated with a main Column. The Side Column model is currently restricted to
the Inside-Out, Enhanced I/O and Sure algorithms. See Column Algorithm in the
Distillation Column discussion (page 9-35) for further information on these
methods. Side Columns always use the same distillation algorithm as the main
Column. Multiple Side Columns attached to one main Column are possible and,
in fact, are common practice in the petroleum refining industry.
Solution Methods
Solution methods for Side Columns vary with the algorithm. The Inside-Out (and
Enhanced I/O) algorithm merges the Side Column with the main column and
solves the complex column arrangement simultaneously.
There are three benefits to this approach:
For example, the last benefit permits the use of both a D86 (5%) and a D86
(95%) specification for a side stripper product. To solve this same set of
specifications with the Sure method requires the use of a Multi-variable Controller
unit wrapped around the main column/side column units.
The Sure method solves each side column separately from the main column and
uses recycle streams to relate the side column and main column. While special
recycle logic is used to converge the column/ side column recycle problem, this
method has three disadvantages when compared to the Inside-Out column
simultaneous treatment:
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Chapter 9
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Compressor
General Information
The Compressor simulates a single stage isentropic compression. Outlet
conditions and work requirements may be determined using either an adiabatic
or polytropic efficiency. Optional tabular input may be used to determine
performance from supplied curves for outlet pressure or pressure ratio, head,
work, and/or efficiency. An optional aftercooler calculation may be included. Both
VLE and VLLE calculations are supported. Multistage compressors may be
modeled by linking single stage compressor units.
Chapter 9
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]2.0
]3.0
Chapter 9
Aftercooler Option
An aftercooler may be added via the Aftercooler icon on the Compressor main
data entry window and supplying the cooler outlet temperature and pressure drop
in the Compressor Aftercooler window.
Calculation Method
The method used to calculate the Compressor head may be selected by clicking
Calculation Method on the Compressor main data entry window to access the
Compressor Calculational Mode window. The method may be chosen with the
radio buttons provided, with choices as follows:
GPSA Engineering Data Book: The GPSA Data Book equation is used to
compute head.
ASME Power Test Code 10: The ASME Power Test Code 10 equation is used
to compute head. This method, the default, is the most rigorous.
The compression ratio above which the head equation is used to compute the
isentropic/ polytropic coefficient may also be supplied in this window. This entry
only applies to the GPSA method, with a default value of 1.15 supplied. Below
this compression ratio, the GPSA temperature equation is used to compute the
isentropic/polytropic coefficients.
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Thermodynamic System
The thermodynamic system of methods to be used for compressor calculations
may be selected by choosing a method from the Thermodynamic Systems dropdown list box on the Compressor main data entry window.
Chapter 9
Controller
General Information
The Controller simulates the action of a feedback process controlled by adjusting
an upstream flow sheet parameter to achieve a specified result for a process
stream or unit operation. A controller must have one SPECification and one
VARY, where the SPEC may be a stream flow rate or property, a unit operating
condition, or a Calculator result. The control variable (VARY) must be a stream or
unit operation flow sheet parameter that is otherwise at a fixed value in the flow
sheet.
Specification
The SPECification is supplied via the appropriate underlined hypertext in the
Specification field of the Feedback Controller main data entry window (accessed
by double-clicking on the Controller flow sheet icon). By clicking the hypertext
string Parameter, the Parameter window appears in which you can select the unit
parameter or stream parameter to use as the SPEC. The SPEC may be a single
parameter or a mathematical expression that relates two flow sheet parameters.
You may next enter the value and the tolerance for the SPEC by clicking the
appropriate linked text. See the SPEC/VARY/DEFINE section of this chapter for
further details on the generalized SPEC form used in PRO/II.
Variable
The control variable (VARY) is selected by clicking the linked text string
Parameter in the Variable field of the Feedback Controller window. The
Parameter window is used to designate the stream or unit parameter to use for
the VARY in a manner analogous to that used in selecting the SPEC above. The
SPEC/VARY/DEFINE section of this chapter gives more information on the
VARY concept. You will also find tables of the flow sheet variables that may be
used for SPECs and VARYs in controller units.
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in the Limits and Step Sizes window. Optionally, you may supply a value for the
control variable for the second iteration by selecting the appropriate radio button
to replace the default change of 2.0 percent of the initial control variable value.
You may specify a different percent or value for the second iteration.
Parameters
Several parameters regarding the operation of the Controller may be supplied on
this section of the Feedback Controller window. You may change the maximum
number of iterations from the default value of 10. Use the radio buttons may to
select the action taken when the control variable exceeds the prescribed limits:
Nonconvergence of Controllers
The controller uses a Newton-Rhapson technique to search for the value of the
control variable that meets the specified flow sheet parameter result. Therefore, it
is important that there be a continuous and monotonic relationship between the
control variable and the specification. Control functions with discontinuities or
localized maxima and minima may fail to converge or converge to an undesired
result.
For some cases, the limits and step sizes entries may keep the control function
within a range of feasible solutions.
Chapter 9
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Crystallizer
General Information
The Crystallizer unit operation simulates crystallization processes for the
manufacture of organics, inorganics, fertilizers, biochemicals and polymers. The
crystallizer transforms a supersaturated solution into a mixed solid/liquid crystal
slurry.
The crystallizer is modeled as a Mixed Suspension Mixed Product Removal
(MSMPR) crystallizer or Continuous Stirred Tank Crystallizer (CSTC). These
models assume ideal mixing in the unit and that the product conditions are the
same as the bulk conditions. The model also assumes that breakage or
agglomeration of solid particles is negligible. A feed heat exchanger may be
included in the model with recirculation if required.
The crystallization process depends on phase equilibria as well as kinetic or
nonequilibrium considerations. Solid-liquid equilibrium is defined in terms of
solubility, which is calculated from either the Van't Hoff equation or user-supplied
solubility data.
You must select Design or Rating calculations in the Crystallizer Calculation
Mode window. In design mode, a specification is required and the volume is
calculated. In the rating mode, the vessel volume is defined.
The formation rate relationships are expressed as power law expressions in the
Crystallizer Growth and Nucleation Rates window. These relationships are
similar to equations for power law kinetics used for chemical reactions. Full
details of the calculation method can be found in the PRO/II Reference Manual.
Chapter 9
Unit Specification
A Crystallizer unit operation is specified by filling in the appropriate data variables
for Solute and Solvent, Crystal Shape Factor, Calculation Mode, Design
Specification (in Design Mode) and Growth and Nucleation Rates in the
appropriate data entry windows that may be accessed through the Crystallizer
main data entry window that is accessed by double-clicking the Crystallizer unit
icon.
Calculation Mode
Click Calculation Mode to specify the Design or Rating calculation mode.
In Design mode, a specification is required and the vessel volume is calculated.
Specification options are:
Crystal Production Rate: Enter the production rate of the crystals in weight
units.
Fraction of Solute Crystallized: Enter the fraction of the total solute in the
combined feeds that is to be crystallized.
Magma Density in the Bottom Product: Enter the density of the bottom
product as weight of crystals per unit volume of slurry.
Supersaturation Ratio: Enter the supersaturation ratio which is defined as:
(Xexit-Xsat)/Xsat
where:
Xexit is the liquid phase mole fraction of the solute in the bottom product, and
Xsat is the saturation mole fraction of the solute in the bottom product.
In Rating mode, the vessel volume is defined.
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Operating Conditions
Click Operating Conditions to specify Crystallizer Operating Conditions. By
default, the crystallizer operates at the combined feed temperature and pressure
with no recirculation.
Pressure Specification: The pressure may be specified as a drop below the
combined feed pressure or you may specify the pressure value directly.
Second Specification: If an option other than At Merged Feed Temperature is
selected, the unit is assumed to include a feed heat exchanger. You may specify
either the crystallizer operating Temperature or the Duty of the exchanger.
Recirculation Flow rate: Some of the bottom product may be remixed with the
feed and passed through the feed exchanger. To specify this option, you must
either specify the recirculation Volumetric Rate or the Temperature Change
across the exchanger. A negative change denotes a temperature drop.
Alternatively, instead of entering a numeric value for the parameters in this
window, they may be referenced using the DEFINE system relative to any
available unit operation or stream parameter calculated elsewhere in the
simulation. See the table of Crystallizer Parameters available for CrossReferencing in the online help for more details.
Chapter 9
Print Options
Click Print Options to access the Crystallizer Print Options window.
Check the Include Crystal Size Distribution box to request additional output
including tables of fractions and population densities for the feed and product
streams as functions of the crystal size distribution.
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Cyclone
General Information
The Cyclone unit operation models the separation of particulate solids from a
solid and gas stream. The particulate collection efficiency is determined by the
solids loading, component characteristics, particle size distribution, stream flow
rate, and cyclone geometry. The Cyclone unit operation will calculate the
collection efficiency for every particle size range of each solid component as well
as the pressure drop through the unit. The Cyclone is assumed to operate
isothermally and mechanisms such as agglomeration and crumbling are
discounted.
Unit Specification
A cyclone unit operation is specified by filling in the appropriate real and integer
data variables for operating mode, geometry, pressure drop calculations,
efficiency calculations, and multiple cyclone configuration in the Gas/Solid
Cyclone main data entry window that is accessed by double-clicking the Cyclone
unit icon on the PFD.
Rating Mode
If you select Rating Mode, you must supply the diameter of the cyclone. The
other dimensions of the cyclone will be generated from the diameter. If you select
User Defined Geometry, you must also enter all of the geometric ratios as
described below. In Rating Mode, PRO/II will calculate: pressure drop, total
efficiency, component efficiencies, grade efficiencies and weight percent solids in
the overhead stream.
Chapter 9
Design Mode
If you select Design Mode, you need not provide the cyclone diameter. Again, if
you select User Defined Geometry, you must enter all of the geometric ratios as
described below. In addition, you must specify a target for total solids collection
(see entry for RPARM(13) below). You may also wish to override the default
maximum pressure drop of 10 inches of water by entering a value in whatever
input pressure units you prefer (see entry for RPARM(16) below). In addition to
the normal Rating Mode output, Design Mode will calculate the number and size
of identical cyclones that are necessary to meet the specification. There may be
many cyclone systems that meet the specification. In all cases, Design Mode will
return the system requiring the fewest cyclones.
Multiple Cyclones
The Cyclone can model a system of identical cyclones that are arranged either in
parallel or in series. In the case of parallel cyclones, the feed streams are split
evenly among the cyclones. The overhead products from all cyclones merge into
one overhead and the bottoms products from all cyclones merge into one bottom
stream. In the case of series cyclones, the overhead from the first cyclone is the
feed to the second and so on. The overhead product is the overhead product
from the final cyclone while the bottom product is the combined bottom product
from all the cyclones in the system. Both product streams are at the outlet
pressure of the final cyclone in the system. It is not possible to specify recycle
streams inside the unit or to reference intermediate stage data from the
flowsheet. For example, if you wish to set a specification on the second cyclone
in a three-cyclone series or set a recycle from the second cyclone to the first
cyclone, you should model the system as three separate units. Note that while
increasing the number of identical cyclones will increase efficiency and pressure
drop in a series system, it will decrease the efficiency and pressure drop in a
parallel system.
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Chapter 9
For a value of 2, the Inlet Width Ratio and the Superficial Gas Velocity must be
specified. Dipleg Size is calculated if the value of 2 is entered.
Efficiency Adjustment Due to Loading Flag (IPARM(8)) This input is optional.
Options for both Rating and Design mode are:
1. Adjust (default)
2. Do not Adjust
Automatically Switch Pressure Drop Model (IPARM(9)) This input is optional.
Options for both Rating and Design mode are:
1. Do not Switch (default)
2. Switch
This entry allows changes to be made automatically in the pressure drop model
between the Koch & Licht and API methods based on solids loading.
Configuration of Multiple Cyclones Flag (IPARM(10)) This input is optional.
Options for both Rating and Design mode are:
1. Parallel (default)
2. Series
Number of Identical Cyclones (Series or Parallel) (IPARM(11)) This input is
optional and is for Rating Mode only. The default value is 1cyclone.
Number of Particle Size to be Specified (IPARM(12)) This input is optional and
is for Rating Mode only. This and the following entry can be used together to
specify the component and PSD size range whose weight fraction in the
overhead will be output to RPARM(64). This latter value can be accessed by a
Controller, MVC or Optimizer.
For example, if a solid with PSD data: 10, 20, 30, 40 (in default input units) is
required to have a weight fraction of 0.20 in size range 20 to 30, the value for this
entry would be 2 (the second size range) and the value for a DEFINE statement
would be 0.20. The default value is 1 (the first size range).
Number of the Component to be Specified (IPARM(13)) This input is optional
and is for Rating Mode only. This optional input is the number of the component
with particle size distribution data to be used in the design. The default is the first
solid component with a PSD that the design mode may evaluate.
Maximum Number of Cyclones (IPARM(14)) This input is optional and is for
Design Mode only. The value indicates the number of cyclones in parallel or
series as appropriate based on the value specified above for the Configuration of
Multiple Cyclones Flag. The default is 20 for parallel and 3 for series.
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Chapter 9
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overhead RPARM(64) This value is the particle size distribution weight fraction in
the overhead of the size and component specified. See entries for IPARM(12)
and IPARM(13) above. This is the ratio of weight in the specified size range
divided by the weight of the component in the overhead. This value is output in
the cyclone output report only if applicable.
Chapter 9
Depressuring Unit
General Information
The Depressuring Unit simulates the time-pressure-temperature relationships
that occur when a vessel is depressured through a relief or control valve. Several
different valve models, vessel configurations and models for heat flow into the
unit are available. An optional external makeup stream may also be specified.
The initial phase of the vessel contents may be either a vapor or a vapor-liquid
mixture.
Calculation options include procedures from API Standard 2000, API
Recommended Practice 520, and other industry standards.
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Valve Data
Data can be entered on the Depressuring Valve Data window to define the flow
characteristics of the relief valve or control valve. This window is brought up by
clicking Valve Data on the Depressuring Unit main data entry window. A Valve
Model must be selected from the four choices by choosing the appropriate radio
button. The available valve models are Supersonic Flow, Subsonic Flow,
Constant Flow, and User Model. The default is Supersonic Flow. The equation
Chapter 9
for the selected model is displayed as an aid to entering the parameters in the
valve equation. The units displayed for the equation are consistent with the
default UOM for the problem and may not be changed.
A Valve Constant (C) must be entered for all models except for the User Model.
For the Supersonic Flow model, the valve constant is the only entry allowed. For
the Subsonic Flow model, an optional back pressure may be entered along with
the required the valve constant. For the Constant Flow model, the only allowable
entry is the valve constant. For the User model, the control valve coefficient must
be entered. The default back pressure value is 0.0, while the default value for the
critical flow factor is 1.0 Different values for the back pressure and critical flow
factor may be entered.
Vessel Data
The Depressuring Vessel Data window is used to define the configuration of the
depressuring unit. This window is accessible via the Vessel Data button on the
Depressuring Unit main data entry window. One of the following,
Sphere
Horizontal Cylinder
Vertical Cylinder
Unspecified Shape
must be selected by choosing the appropriate radio button.
If Sphere is the selected vessel geometry, a value for the diameter must be
entered. If Horizontal Cylinder is the selected vessel geometry, the diameter and
tangent-to-tangent length must be entered. For the Vertical Cylinder vessel
geometry, the diameter and tangent-to-tangent height must be entered. For
vessels of any of these defined geometries, entering a value for liquid height is
optional. For vessels of the Unspecified Shape geometry, the vessel volume
must be entered. Liquid Holdup is optional only if the geometry is Unspecified
Shape. By default, the holdup liquid is saturated liquid of the combined feed
composition at the initial conditions. The remaining vessel volume contains vapor
in equilibrium with this liquid. The holdup may be on a mole, weight, or actual
volume fraction basis with the default being the mole fraction basis.
The Vessel Weight and the Vessel Specific Heat may be input for any vessel
geometry. If one of these two variables is entered, then both must be entered.
These items are required only if Blowdown appears on the Heat Input window,
otherwise they are optional. (See discussion on vessel Heat Input options below.)
The volume correction factor is an optional entry for the Sphere, Horizontal
Cylinder, and Vertical Cylinder vessel geometries only. This entry is used to
correct the vessel volume for pipes, fittings, and end plates and defaults to 1.00 if
not supplied.
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Heat Input
Click Heat Input on the Depressuring Unit main data entry window to open the
Heat Input window. A heat input model may be selected from the drop-down list
box, which includes the following options:
User-defined
API 2000
API 2000 Method with Scaling
API RP 520 with Scaling
API RP 520
Isothermal
Rigorous Blowdown
Semirigorous Blowdown
Fire Relief.
User-Defined is the default as this supplies no heat input to the vessel. The
difference between the Rigorous and Semirigorous Blowdown models is the
physical property calculations. The selected heat transfer equation is displayed,
along with the equations units of measure. Depending on the Heat Flow Model
selected, from one to five of the coefficients may be supplied. For the UserDefined or Semirigorous or Rigorous Blowdown models, values for these
coefficients default to 0.0.
For the Fire Relief Model only, the first two coefficients C1 and C2 are required.
The Initial Wetted Area field is made unavailable when a value has been entered
for Liquid Height on the Vessel Data window. Otherwise, a value for Initial Wetted
Area must be entered for the API 2000, Scaled API 2000, RP 520, Scaled RP
520, and Fire Relief Models. The Area Scaling Factor is an optional entry for
these same heat input models only when the Initial Wetted Area is input. It has a
default value of 1.0.
The Heat Input Scaling Factor may be input for any heating model except the
Semirigorous and Rigorous Blowdown and Isothermal models. It has a default
value of 1.0.
For the heat transfer coefficient used in the Semirigorous or Rigorous Blowdown
calculations, either a Calculated Using Scaling Factor coefficent, an Overall
coefficient, or individual phase vapor or liquid heat transfer coefficient may be
used by selecting the appropriate radio button. The default is to use the
Calculated Using Scaling Factor coefficent, with a default value for the scaling
factor of 1.0.
Chapter 9
Makeup Stream
One feed stream to the depressuring unit can be designated as a constant-rate
makeup stream. Click Makeup on the Depressuring Unit main data entry
window to open the Makeup Stream window, where a makeup stream can be
designated. Checking the box enables a drop-down list box which contains the
names of all feed streams to the depressuring unit shown on the PFD. One
stream may be selected as a makeup stream. The flow of this stream will always
begin at time = 0, regardless of when the depressuring begins. By default, no
makeup stream is included.
Thermodynamic System
For problems where more than one thermodynamic method has been specified,
a drop-down list box allows the selection of a thermodynamic method set to be
used for the Depressuring Unit.
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Dissolver
General Information
The Dissolver unit operation models the dissolution of solids into liquid solutions.
This mass transfer operation is widely used in the chemical industry in both
organic as well as inorganic processes.
Calculation Method
The dissolver transforms crystals in solution from the solid to the liquid phase.
PRO/II models the most common type of dissolver which is the stirred tank
dissolver. A feed heat exchanger may be included in the model if required.
A Solid-liquid equilibrium method must be defined in terms of solubility, which is
calculated from either the Van't Hoff equation or user-supplied solubility data.
You must select Design or Rating calculations in the Dissolver Calculation Mode
window. In Design mode, a specification is required and the volume is calculated
for a given feed particle size distribution and operating conditions. In Rating
mode, the vessel volume is defined and the exit particle size distribution is
determined.
The mass transfer coefficient may be specified in the Dissolver Dissolution Rate
window. Alternatively, you may specify that the coefficient should be calculated
from diffusivity data entered in the Thermodynamic Data.
Full details of the calculation method can be found in the PRO/II Reference
Manual.
Chapter 9
Expander
General Information
The Expander operation may be used to model any isentropic expansion such as
an expander unit in a natural gas processing plant or a steam turbine, etc. An
adiabatic expansion efficiency may be applied to the calculations. Rigorous
calculations may be performed for both VLE and VLLE systems.
224
Outlet pressure
Pressure ratio (absolute outlet pressure/absolute inlet pressure)
Pressure drop
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Adiabatic Efficiency
The isentropic work is adjusted by application of the adiabatic efficiency supplied
in the Expander window. When not supplied, a default value of 100 percent is
used (perfect isentropic expansion).
Thermodynamic System
The thermodynamic system of methods to be used for expander calculations
may be selected by choosing a method from the Thermodynamic System dropdown list box on the Expander main data entry window.
Chapter 9
Flash
General Information
The Flash unit may be used to model any equilibrium calculation where two of
the conditions are defined, e.g., temperature and pressure, pressure and
enthalpy, etc. The phase equilibrium is determined and the product may be
separated into product streams corresponding to the phases. The duty required,
if any, to bring the feed to the final conditions is also reported. Both VLE and
VLLE calculations are supported by this unit.
First Specification
The temperature, pressure, or pressure drop from feed conditions is supplied by
choosing the appropriate drop-down list box on the Flash main data entry window
and supplying the value in the data entry field provided. Only one entry is
allowed.
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Second Specification
This specification is used in conjunction with the First Specification given above
to define the equilibrium calculation desired. The Second Specification may be
either a Unit Specification or a Product Specification as denoted by the radio
buttons on the Flash main data entry window. These two types of specification
are discussed separately below.
Unit Specification
The desired second specification is chosen with the drop-down list box and the
data entry supplied in the field provided. Options are:
Pressure Drop or Pressure: These entries are only applicable when the
temperature is chosen as the primary specification and correspond to an
isothermal (constant temperature and pressure) flash. The Duty required to bring
the feed to the specified conditions is calculated by PRO/II.
Duty: This entry corresponds to an adiabatic (duty defined) flash. When the
temperature is supplied as the primary specification, the pressure is computed.
When the pressure or pressure drop is supplied as the primary specification, the
temperature is computed. The duty may be positive (heating), negative (cooling),
or zero (constant enthalpy calculation).
Dew Point: The dew point pressure is computed when the temperature is
supplied as the primary specification. The dew point temperature is determined
when the pressure or pressure drop is provided as the primary specification. The
Duty required to bring the feed to the specified conditions is calculated by PRO/II.
Hydrocarbon Dew Point: The dew point pressure for the hydrocarbon
portion of the stream is computed when the temperature is supplied as the
primary specification. The dew point temperature is determined when the
pressure or pressure drop is provided as the primary specification. This option is
only applicable for thermodynamic systems which support a free water phase.
The Duty required to bring the feed to the specified conditions is calculated by
PRO/II.
Water Dew Point: The dew point pressure for the water portion of the stream is
computed when the temperature is supplied as the primary specification. The
dew point temperature is determined when the pressure or pressure drop is
provided as the primary specification. This option is only applicable for
thermodynamic systems which support a free water phase. The Duty required to
bring the feed to the specified conditions is calculated by PRO/II.
Bubble Point: The bubble point pressure is computed when the temperature is
supplied as the primary specification. The bubble point temperature is
Chapter 9
Product Specification
When this radio button is selected, the pressure is computed when the
temperature is provided as the first specification such that a calculated stream
parameter meets a specified value. When the pressure or pressure drop is
supplied as the first specification, the temperature is computed. The Duty
required to bring the feed to the final conditions is also calculated by PRO/II.
The stream parameter specification is entered by clicking on the hypertext strings
and uses the general PRO/II specification format. This format is further described
in the SPEC/VARY/DEFINE section of this chapter. The stream parameter
specification must correspond to one of the flash unit products and may be either
an absolute or relative value. An absolute or relative tolerance value may also be
supplied. Note that a default relative tolerance of 0.02 is used if none is given.
Entrainment
Entrainment from one phase to another phase is requested in the Flash Drum
Entrainment window which is accessed by clicking Entrainment on the Flash
main data entry window. The From and To phases are defined and the quantity
entrained is supplied as a fraction or percent of the donor phase or as an
absolute rate of material. The entrained material is assumed to have the same
composition as the donor phase. Since entrainment calculations are performed
after the flash calculations, the resultant products may be different from the
original flash specifications. Multiple entrainments are permitted.
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Thermodynamic System
The thermodynamic system of methods to be used for flash calculations may be
selected by choosing a method from the Thermodynamic System drop-down list
box on the Flash main data entry window.
Chapter 9
General Information
The Flash with Solids unit models a flash drum unit operation with a solid product
stream. If a solids product stream is to be present, you must use the Flash with
Solids unit rather than the conventional Flash unit operation.
The bottoms stream from the flash drum section feeding the solids separator is
internal to the Flash with Solids unit and is not subject to specification by the
user.
The main data entry window for the Flash with Solids unit is identical to that of
the ordinary Flash unit except that no specification of product phases by the user
is required. The phases for the product streams are automatically specified by
PRO/II and may be reviewed in the Flash Product Phases window accessible via
the Product Phases button on the Flash main data entry window.
For further instructions on unit and product specifications, see the
detailed discussions in the Flash section above (page 9-65, seq.).
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General Information
The Flowsheet Optimizer maximizes or minimizes an objective function by
varying one or more flow sheet variables while meeting a number of
specifications. Optionally, you can place constraints on minimum and maximum
values on the flow sheet variables. The objective function may be an operational
criterion, such as maximum recovery or minimum loss, or an economic criterion,
such as maximum profit or minimum cost. In order to optimize an economic
function, you must first include a Calculator in the flow sheet in order to define
the profit or cost. Then use the Optimizer to minimize or maximize the Calculator
result.
Objective Function
Either you must choose either Maximize or Minimize as the objective function by
selecting the appropriate radio button in the main Optimizer window. Enter the
objective function by clicking the linked text string Parameter in the Objective
Function field to make the Parameter window available selecting the unit or
stream parameter to use as the Objective Function. This Parameter window is
similar to the SPEC Parameter window, except that there is no entry allowed for
the parameter value and tolerance. The Objective Function may be a single flow
sheet parameter or a mathematical expression that relates two flow sheet
parameters.
Variables
The optimizer variables (VARYs) are selected by clicking the linked text string
Parameter in the Variables grid of the Optimizer main data entry window. In the
Parameter window, designate the stream or unit parameter that will be varied,
selecting from the same choices given above for the Objective Function. For unit
or stream variables, you must also input minimum and maximum values. The
SPEC/VARY/DEFINE section of this chapter gives more information on the
VARY concept. The tables in that section list the flow sheet variables that may be
used for SPECs and VARYs for flow sheet optimizer units.
Chapter 9
Specifications
SPECifications may be entered for flow sheet parameters other than the control
variables. Click Specifications on the Optimizer main data entry window to
bring up the standard Specifications window. Check the Use Specifications box
to enable the grid which contains the standard specification linked text. Enter the
parameters for each SPECification by clicking the appropriate text strings in each
specification. Click the linked text string Parameter, to open the Parameter
window where you can select the unit or stream parameter to use as the SPEC.
The SPEC may be a single flow sheet parameter or a mathematical expression
that relates two flow sheet parameters. Next, enter the value and the default
tolerance for the SPEC by clicking on the appropriate text strings. See the
SPEC/VARY/DEFINE section of this chapter for details on the generalized SPEC
form.
Constraints
CONStraints may also be entered for flow sheet parameters other than the
control variables. Constraints limit a variable to a specified range. Click
Constraints on the main Optimizer window to open the Constraints window
from the SPEC/VARY system. Check the Use Constraints box to enable the
constraint grid. Enter the parameters for each CONStraint by clicking the
appropriate text strings. Click the hypertext string Parameter to open the
Parameter window where you can select the unit or stream parameter to use as
the CONStraint. The use of this window is analogous to the Parameter window
used in selecting the SPEC above. The Minimum Value, Maximum Value, and
the default tolerance values for the CONStraint are entered by clicking on the
appropriate text strings.
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Chapter 9
Rigorous
This option specifies that PRO/II will use rigorous thermodynamic
calculation models. This is the default selection.
Local TP Model
This option specifies that PRO/II will generate local K-value models for T and P
derivatives.
Advanced Options
Click Advanced Options.. to specify additional options for the Optimizer.
The Optimizer Advanced Options are intended for experienced users of PRO/II. If
you are unsure how these features may apply to your simulation, consult SIMSCI
Technical Support or refer to the PRO/II Reference Manual.
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Derivative Analysis
By default, this option is Off. Select On in the drop-down list to produce an
analysis printout of the derivative step sizes for each optimizer cycle; in addition,
a modified perturbation step size will be suggested, if appropriate.
Chapter 9
variables, specifications, and constraints, along with the shadow prices for all
active bounds and constraints.
Complete technical details may be found under the topic Flowsheet Solution
Algorithms in the PRO/II Reference Manual.
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General Information
The LNG Heat Exchanger simulates the exchange of heat between any number
of hot and cold streams. The exchanger is divided into cells representing the
individual cross-flow elements. Cells are designated as Hot, where the streams
are cooled or as Cold where they are heated. The unit must contain at least one
hot cell and one cold cell.
The number of cells is initially defined on the LNG Heat Exchanger Configuration
window that appears when the unit is first placed on the PFD. Cells may be
added or deleted in the main LNG Heat Exchanger window.
Performance Specifications
Any cell may have either a duty or an outlet temperature specification. However,
at least one cell must remain unspecified. The product streams from all
unspecified cells leave the exchanger at the same temperature.
Chapter 9
Cell Data
The pressure drop for each cell defaults to zero. Pressure drop values are
entered in the LNG Heat Exchanger Cell Data window. The thermodynamic
system used for the calculations for an individual cell may also be changed in this
window.
Zones Analysis
Zones Analysis may be requested in the LNG Heat Exchanger Zones Analysis
window accessible via the Zones Analysis button on the main data entry
window. This feature allows internal temperature crossovers and pinch points to
be identified by dividing the exchanger into a number of zones. Warnings are
issued if crossovers or pinch points are found.
The Zones Analysis calculations are normally performed when the exchanger is
calculated. However, if the exchanger is in a recycle, computation time may be
saved by performing the analysis at output time.
Zone Analysis will always be performed at calculation time if required by
Controller specifications on the LNG heat exchanger.
Print Options
The Print Options window is opened via the Print Options button on the main
data entry window. A number of different Y versus X plots may be generated for
temperature, duty and UA. The options are:
Thermodynamic System
The thermodynamic system of methods to be used for LNGHX calculations may
be selected by choosing a method from the Thermodynamic System drop-down
list box on the LNG Heat Exchanger main data entry window.
Note: The thermodynamic system used for the calculations for an individual cell
(specified in the LNG Heat Exchanger Cell data window) overrides this
thermodynamic system for specific cells.
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General Information
The Rigorous Heat Exchanger simulates the operation of an existing heat
exchanger. The geometry of the unit has to be defined and the unit is rated to
determine the duty, exit temperatures, and pressure drops.
The exchanger duty, or one of the exit temperatures, may be defined. In this
case, the fouling resistance is calculated.
Calculation Type
The calculation type is selected from a drop down list in the Rigorous Heat
Exchanger window. The available options are:
Rating: Determine the heat transferred with the defined area and fouling factors.
The default.
Fixed Duty: Determine the fouling factors and exit temperatures from the defined
duty.
Tube Outlet Temperature: Determine the duty, fouling factors, and shell
Chapter 9
Overall Configuration
The overall configuration is defined in the Rigorous Heat Exchanger window by
entering one or more of the configuration parameters:
Number of Tubes/Shell
Area/Shell
Shell Inside Diameter
A value for at least one of these parameters must be supplied. If any of these
parameters is missing, it will be calculated from the others.
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Configuration Data
The configuration details are defined in the Rigorous Heat Exchanger
Configuration Data window accessible via Configuration on the main data entry
window. All data in this window have default values:
Number of Shells in Series: This is the number of identical shells connected in
series in the unit. Both shell and tube sides are considered to be piped in series.
The default is 1 shell.
Number of Shells in Parallel: This is the number of identical shells connected in
parallel in the unit. Both shell and tube sides are considered to be piped in
parallel. The default is 1 shell.
Number of Tube Passes/Shell: This can be any integer value between 1 and
16. The default is 2. Odd numbered values are allowed, but are not
recommended.
Orientation: The exchanger orientation is selected from the drop-down list as
either Horizontal or Vertical. The default is Horizontal.
Configuration: The direction of fluid flow is selected from the drop-down list as
either Countercurrent or Cocurrent. The default is Countercurrent.
TEMA Type: The three characters for the TEMA type (front, shell and rear of the
exchanger) are selected separately from drop-down lists. The default is AES.
Tube Data
Details of the exchanger tubes are entered in the Rigorous Heat Exchanger Tube
Data window which is accessed via Tubes on the main data entry window. All
tube data have default values.
Length: The nominal tube length includes the thickness of both tube-sheets. For
U-tubes, it includes the thickness of the tubesheet and the last baffle. The length
defaults to 20 ft (6.1 m).
Outside Diameter: The tube outside diameter defaults to 0.75 inches (19.05
mm).
Thickness: The tube thickness may be defined as:
Inside Diameter
Wall Thickness
BWG
Chapter 9
Bare tubes default to an inside diameter of 0.58402 inches (14.834 mm). Finned
tubes default to an inside diameter of 0.49598 inches (12.573 mm).
Pitch: The center-to-center distance between tubes defaults to 1.0 inch (25.4
mm).
Pattern: The tube pattern is selected from the drop down list. The options are
Triangular30 Degrees, Square90 Degrees (default), Rotated Triangular60
Degrees, and Rotated Square 45 Degrees.
Sheet Thickness: The tubesheet thickness is calculated if it is not supplied.
Fin Data
The default is not to have finned tubes. If fins are specified, the surface area may
be entered directly or calculated from the fin data.
Extended Surface Area: This is the total surface area of the tubes including the
finned and bare surface areas. A value entered here, overrides the calculated
area.
Fins/Inch: This is the number of fins per inch of tube length. (Default is 19.
Thickness: The fin thickness defaults to a value in inches equal to 0.5/(Fins per
Inch).
Height Above Root: The fin height above the root defaults to a value equal to
(Tube Outside Diameter - Root Diameter)/2.
Root Diameter: The root diameter is the tube diameter at the base of the fins
and it defaults to 0.625 inches.
Baffle Data
Details of the exchanger baffles are entered in the Rigorous Heat Exchanger
Baffle Data window accessible via Baffles on the main data entry window. All
baffle data have default values.
Baffle Type: The type is selected from the drop down list. The options are No
Baffles, Single (default), Single Baffles - No Tubes in Window and Double.
Baffle Geometry Data: The baffle cut is the height of the window divided by the
shell inside diameter and it defaults to 0.2. Alternatively, the Net Free Area Ratio
may be entered instead. This is the area of the window divided by the crosssectional area of the shell.
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Chapter 9
Material Data
Tube and shell material property data are entered in the Rigorous Heat
Exchanger Material Data window accessible via Materials on the main data
entry window.
The default material is carbon steel. A different material may be selected from a
drop-down list which shows the materials in the library.
Individual properties of the selected material may be overridden. Alternatively,
the user may select User-added Material from the list and then supply the name
and properties of the material. The list of materials in the library is tabulated
below.
Density
3
Btu/hr.ft.F
kCal/hr.m.C
W/m.K
7862
30.0
44.6
51.9
493.2
7900
29.0
43.2
50.2
CHRM MLY
490.1
7851
27.0
40.2
46.7
LOW
CHRM
487.0
7801
25.0
37.2
43.3
MED
CHRM
480.7
7700
21.0
31.2
36.3
STR CHRM
487.0
7801
14.0
20.8
24.2
304 S.S.
501.1
8027
9.3
13.8
16.1
Description
Label
lb/ft
Carbon
Steel
Carbonmoly Steel
0.1C, 0.5Mo
Chromemoly Steel
1.0Cr,
0.5Mo
Low
Chrome
Steel
2.25Cr,
1.0Mo
Medium
Chrome
Steel 5.0Cr,
1.0Mo
Straight
Chrome
Steel 12Cr
304
Stainless
Steel 18Cr,
8Ni
CARB STL
490.8
CARB MLY
244
Conductivity
3
kkg/m
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310
Stainless
Steel 25Cr,
20Ni
310 S.S.
501.1
8027
7.8
11.6
13.5
316
Stainless
Steel 17Cr,
12Ni
316 S.S.
501.1
8027
9.4
14.0
16.3
321
Stainless
Steel 18Cr,
10Ni
321 S.S.
494.2
7916
9.2
13.7
15.9
Aluminum
1060 H14
A1060H14
170.0
2723
128.3
190.9
222.1
Aluminum
1100
Annealed
A1100 AN
169.3
2712
128.3
190.9
222.1
Aluminum
3003 H14
Annealed
A3003H14
171.1
2741
111.0
165.2
192.1
Aluminum
3003 H25
Annealed
A3003H25
171.1
2741
111.0
165.2
193.1
Aluminum
6061 T4
Tempered
Aluminum
6061 T6
Tempered
A6061 T4
169.3
2712
95.0
141.4
164.4
A6061 T6
169.3
2712
95.0
141.4
164.4
Copper
COPPER
556.4
8913
225.0
334.2
389.4
Arsenical
Copper AS
COPPER
560.0
8970
187.0
278.3
323.6
Copper
Nickel 90/10
CUNI9010
559.0
8954
26.0
38.7
45.0
Copper
Nickel 80/20
CUNI8020
558.5
8946
22.0
32.7
38.1
Copper
Nickel 70.30
CUNI7030
585.0
9371
17.0
25.3
29.4
Copper
Nickel 60/40
CUNI6040
554.7
8885
12.9
19.2
22.3
Red Brass
85Cu, 15Zn
RED BRAS
546.0
8746
92.0
136.9
159.2
Chapter 9
Admiralty
Brass 71Cr,
28Zn, 1Sn
ADMRALTY
531.0
8506
64.0
95.2
110.8
Commercial
Brass 55Cu,
34Zn
COM BRAS
529.0
8474
67.0
99.7
116.0
Muntz Metal
60Cu, 40Zn
MUNTZ
524.0
8394
71.0
105.7
122.9
Aluminum
Bronze
93Cu, 5Al
AL BRONZ
510.0
8169
48.0
71.4
83.1
Aluminum
Brass 78Cu,
2Al
AL BRASS
520.0
8330
58.0
86.3
100.4
Nickel
Annealed
NICKEL
556.4
8913
45.2
67.3
78.2
Low Carbon
Nickel
Annealed
L CRB NI
554.7
8885
35.0
52.1
60.6
Monel
Nickel 70Ni,
30Cu
MONEL NI
551.2
8829
14.5
21.6
25.1
Inconel 600
76Ni, 16Cr,
8Fe
INCNL600
525.3
8414
8.7
12.9
15.0
Titanium
Grade 2
TITANIUM
281.6
4511
9.5
14.1
16.4
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DP Scale Factor: This is a multiplier which is applied to the pressure drop for the
specified side of the exchanger. It defaults to 1.0.
DP / Shell: If a value is entered, the pressure drop per shell overrides the
calculated pressure drop for the specified side.
DP / Unit: If a value is entered, the pressure drop for the exchanger unit
overrides the calculated pressure drop for the specified side.
Shellside Pressure Drop Method: The method may be selected from Bell
(default) for the Bell-Delaware method or Stream for the stream analysis
technique.
Print Options
Additional output reports are selected in the Rigorous Heat Exchanger Print
Options window accessible via Print Options on the main data entry window.
Extended: By default, a standard TEMA data sheet is produced for the
exchanger. Checking the Extended check box produces an additional data sheet
with information about stream properties, heat exchanger configuration and
hydrodynamics.
Zones: Checking the Zones check box produces an additional table showing the
phase and zone boundaries used to calculate the duty-averaged log-meantemperature difference.
Zones Plot: Checking the Zones Plot check box produces a plot showing the
phase and zone boundaries used to calculate the duty-averaged log-meantemperature difference.
Nozzle Data
The default nozzle type and sizes can be overridden in the Rigorous Heat
Exchanger Nozzle Data window accessible via Nozzles on the main data entry
window.
The default is to use conventional nozzles with calculated inside diameters.
Nozzle data only affects the calculated pressure drop in the exchanger.
Use Tube Side Nozzle or Use Shell Side Nozzle: If either check box is
unchecked, the nozzle pressure drop will not be calculated for that side of the
exchanger.
Inside Diameter: The calculated diameters may be overridden. The Inlet and/or
Outlet diameter may be entered.
Chapter 9
Use Annular Shell Side Nozzles: If this box is checked, the pressure drop will
be calculated for annular rather than conventional nozzles. In this case, click
Enter Data to open the Annular Nozzle Data window to enter the nozzle
details. The required data are:
Thermodynamic System
The thermodynamic system of methods to be used for each side of the rigorous
heat exchanger may be selected by choosing a method from the Thermodynamic
System drop-down list box on the Rigorous Heat Exchanger main data entry
window.
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General Information
The Simple Heat Exchanger may be used to heat or cool a single process
stream, exchange heat between two process streams, or exchange heat
between a process stream and a utility stream. Rigorous calculations may be
performed for VLLE systems. It is also possible to attach an exchanger to any
tray of a distillation column and exchange heat between a process stream and a
column internal stream, either liquid or vapor.
Chapter 9
Utility Streams
For simple heat exchangers with one process side, a hot or cold utility stream
may be defined. The required utility rate for the specified heat transfer is always
computed. Utility streams may be specified by clicking Utility Stream on the
Heat Exchanger main data entry window to access the appropriate hot or cold
utility window.
Cold utility streams are supplied in the Heat Exchanger Cold Side Utility window.
Options are:
Water: Temperature in and out must be supplied. Sensible heat transfer only.
Air: Temperature in and out must be supplied. Sensible heat transfer only.
Refrigerant: A designated component is vaporized at its saturation pressure or
temperature. Latent heat transfer only.
Hot utility streams are supplied in the Heat Exchanger Hot Side Utility window.
Options are:
Steam: Steam is condensed at its saturation temperature or pressure. Latent
heat transfer only.
Heating Medium: A designated component is condensed at its saturation
temperature or pressure. Latent heat transfer only.
Configuration Data
Configuration data are supplied in the Heat Exchanger Configuration Data
window accessed by clicking Configuration on the main data entry window.
These data only apply to exchangers with two sides and are optional for all
exchangers for which a Performance Specification is provided (see below).
Flow Direction: Countercurrent or cocurrent. Default is countercurrent.
Tube and Shell Passes: When supplied, an N -2Nconfiguration is always
assumed, where the number of shell passes is twice the number of tube passes.
The FT LMTD correction factor is computed, based on a correlation for N -2N
exchangers. Default is two tube and one shell pass, i.e., true countercurrent flow.
FT Factor: The LMTD correction factor for the exchanger. Note that this entry is
mutually exclusive with the Tube and Shell Passes.
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Performance Specifications
Exchanger performance is specified in the Heat Exchanger Specifications
window accessed via Specifications on the main data entry window.
Exchanger performance may be specified in a varity of ways:
Outlet Temperature: Temperature out for hot or cold process fluid. Temperature
Approach (Two-sided exchangers only)
Chapter 9
Zones Analysis
Zones analysis is requested by clicking Zones Analysis on the main data entry
window. The duty-weighted LMTD may be computed for exchangers in which
phase changes occur by dividing the exchanger into at least five zones of equal
duty. More zones may be requested as desired. Zones analysis is automatically
performed for exchangers with MITA specifications. For other types of
specifications, the zones analysis may be performed during exchanger
calculations or at the completion of all calculations, as requested. Warning
messages are given for temperature crossovers.
Thermodynamic System
The thermodynamic system of methods to be used for each side of the simple
heat exchanger may be selected by choosing a method from the Thermodynamic
System drop-down list box on the Heat Exchanger main data entry window.
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Heating/Cooling Curves
General Information
The Heating/Cooling Curve utility module develops heating or cooling curves for
any stream in the flow sheet. The tables are a composite of equilibrium flashes,
and present the data typically required for the design of heat transfer equipment.
Curves may be generated by using equal temperature increments or equal duty
increments. Additional points are included when phase boundaries are crossed.
For the Flash, Heat Exchanger, and Column unit operations, a convenient means
is provided to retrieve the streams involved in heat transfer and generate curves
based on the actual duties for the units. For other flow sheet streams, you may
define the desired temperature or duty ranges for the curves.
In addition to the standard thermal properties, additional properties may be
requested for the reports. These properties include physical, critical,
thermodynamic, transport, and petroleum properties.
Chapter 9
A check box may be used to select printout of liquid activity coefficients, vapor
fugacity coefficients, and Poynting correction factors for thermodynamic systems
based on liquid activity coefficients. The equilibrium K-values for the components
may also be selected for printout with a check box.
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Standard Reports
Standard reports include the data in the table below:
Total Feed
Temperature
Pressure
Molar Flow
X
X
Enthalpy
Weight Flow
Molar Entropy
Vapor
Liquid
Chapter 9
Vapor
X
X
X
X
X
X
Liquid
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Plots
Refer to Chapter 11, Printing and Plotting, for more information about generating
graphical plots of Heating/Cooling Curve results.
Thermodynamic System
You may select the thermodynamic system of methods to be used for
heating/cooling curves calculations by choosing a method from the
Thermodynamic System drop-down list box on the Heating/Cooling Curves main
data entry window.
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Mixer
General Information
The Mixer unit combines two or more streams into a single product stream. The
outlet pressure may be specified if desired. The outlet temperature and phase
condition are always determined with an adiabatic flash from the feed conditions.
This unit supports both VLE and VLLE calculations.
Thermodynamic System
The thermodynamic system of methods to be used for mixer calculations may be
selected by choosing a method from the Thermodynamic System drop-down list
box on the Mixer main data entry window.
Chapter 9
Multivariable Controller
General Information
The Multivariable Controller (MVC) is an expanded form of the Controller and
simulates two or more feedback process controllers. The MVC is capable of
adjusting an unlimited number of upstream variables to reach the same number
of specified objectives. Each of the SPECifications may be a stream flowrate or
property, a unit operating condition, or a Calculator result. The control variables
may be stream and unit operation conditions, thermodynamic parameters, and
Calculator results that are otherwise at fixed values in the flowsheet.
For the Multivariable Controller, the number of variables must equal the number
of specifications. The linked text above the Specifications grid in the Multivariable
Controller main data entry window indicates whether the current number of
specifications equals the number of variables. If they are unequal, the hypertext
string does not equal will appear in red.
Specifications
Establish the SPECifications by clicking the appropriate linked text in the
Specification grid of the Multivariable Controller window. MVC SPECifications are
established in the same manner as for the simple Controller SPECifications. See
the SPEC/VARY/DEFINE section of this chapter for further details on the
generalized SPEC form.
Variables
Establish the control variables (VARYs) by clicking the linked text string
Parameter in the Variable grid of the Multivariable Controller window. MVC
VARYs are established in exactly the same manner as simple Controller VARYs.
See the SPEC/VARY/DEFINE section of this chapter for more information on the
VARY concept. Tables are also given in that section listing the flow sheet
variables that may be used for SPECs and VARYs for multivariable controller
units.
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Chapter 9
control variables are thermodynamic parameters. You may specify the return unit
by choosing a unit from the drop-down list box on the Options window.
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Phase Envelope
General Information
The Phase Envelope utility module generates phase envelopes for
multicomponent streams using the Soave-Redlich-Kwong or Peng-Robinson
equations of state. The module is not available for other thermodynamic systems.
Phase envelope generation is performed after the completion of flow sheet
calculations and has no effect on flowsheet convergence. For systems with
noncondensible gases such as hydrogen, helium, and nitrogen it may not be
possible to converge bubble point calculations and results should be reviewed
carefully.
Selection of Streams
You may select feed and product streams from any of the unit Operationsin the
flow sheet for phase envelope generation. Up to five flow sheet streams may be
selected using drop-down list boxes in the Phase Envelope main data entry
window. You may optionally supply a liquid mole fraction for any of the selected
flowsheet streams to generate a curve at a constant liquid mole fraction. This
option is useful for generating liquid fraction curves to be superimposed on the
phase envelope. Normally, you would first select a flow sheet stream with no
liquid fraction entry to generate the phase envelope, followed by one or more
selections with specified liquid fraction entries to generate a family of curves. It is
not permissible to duplicate the same stream with the same liquid mole fraction in
a single phase envelope.
Plot Options
Select a plot option for the phase envelope in the Phase Envelope Plot Options
window which you can access by clicking Plot Options on the Phase Envelope
main data entry window.
For each selected stream, a default descriptive label is provided in this window.
The default label will contain the stream name and an L/F value if specified. You
Chapter 9
may modify each label. Duplicate labels are not allowed. An example default
stream label with a specified L/F is: S100 - L/F= 0.9".
A drop-down list box contains plot options as follows:
None - The default
Individual - Individual generates a plot with only the stream selected.
Comparison All streams with the Comparison option are plotted on the same
graph. The Comparison option is useful for plotting a stream phase envelope with
superimposed curves of constant liquid mole fraction. When you select the
Comparison option for a stream, you will be prompted to provide a comparison
plot symbol to label the data points for the generated curve. The symbol may be
an integer number in the range one through nine. If you do not provide a symbol
is not provided for the comparison plot, the next available integer between one
and nine is used
Individual and Comparison - The Individual and Comparison option performs
both the Individual and Comparison options for a stream.
Thermodynamic System
Select the thermodynamic system of methods to be used for Phase Envelope
calculations by choosing a method from the Thermodynamic System drop-down
list box on the Phase Envelope main data entry window.
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General Information
The PIPEPHASE Unit Operation (PPUOP) encapsulates a PIPEPHASE
simulation enabling it to be solved in sequential modular form within a
conventional PRO/II simulation. The PPUOP allows the user to link PRO/II
simulation streams to PIPEPHASE simulations streams so that stream properties
from a PRO/II simulation is passed to the PIPEPHASE simulation, and back to
PRO/II upon solution of the PIPEPHASE simulation. As with any unit operation in
PRO/II, the PPUOP can be accessed multiple times in calculation loops, and a
PRO/II simulation can have multiple instances of PPUOPs in the flow sheet.
The PPUOP is represented as an icon and is similar to other PRO/II unit
operations. It can be initialized with a PIPEHASE simulation.
Note: PRO/II currently supports PIPEPHASE v8.2 and later versions.
Component mapping
Component mapping is allowed only if the number of components in both PRO/II
and PIPEPHASE are equal. The components can be mapped by either Name or
Index. These two options can be selected from the Component mapping drop
down list in the PRO/II PIPEPHASE window, which can be accessed by double
clicking the PPUOP.
Chapter 9
If the components are mapped by Name, the PRO/II component data is mapped
with the PIPEPHASE component of the same name.
If the components are mapped by Index, then the first component in the PRO/II
component data list is mapped with the first component of the PIPEPHASE
component data list, irrespective of the component names.
Initialization
The PPUOP can be initialized with a PIPEPHASE simulation (.inp for
PIPEPHASE 8.2 and either a .inp or a .ppzip for PIPEPHASE 9.0) by clicking
Initialize from PIPEPHASE simulation in the PRO/II PIPEPHASE window. If the
user reinitializes a PIPEPHASE simulation with another simulation, then all the
information of the previous simulation will be removed.
Note: If PIPEPHASE version 8.2 files are used for initialization, it is necessary
that the GUI database files, (.pp0 and .pp1) be present. Otherwise, the user
needs to generate the PIPEPHASE GUI database files by importing the
corresponding keyword file.
PIPEPHASE GUI
The PIPEPHASE GUI can be launched from within the PRO/II flow sheet. The
user can commit the changes made to the simulation in the GUI, and export the
changes to the keyword input file. The user can launch the PIPEPHASE GUI by
clicking the PIPEPHASE GUI..button in the PRO/II PIPEPHASE window.
Note: If PIPEPHASE v8.2 GUI is launched, it is necessary that the PIPEPHASE
GUI files (.pp0 and .pp1) of that simulation are present. If not present, a warning
message is displayed. The user is then required to export the keyword file.
However, for version 9.0, changes made in the PIPEPHASE GUI will be
automatically exported to the keyword file while saving the simulation.
Export
The user can export a copy of the PIPEPHASE simulation to an external location
by clicking Export to external PIPEPHASE simulation.
PIPEPHASE Reports
The PIPEPHASE Report displays only the results of the PIPEPHASE simulation
and not the PRO/II PIPEPHASE integration flow sheet.
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File Handling
When you drag and drop a new PPUOP on the PFD, and initialize it with a
PIPEPHASE simulation, a copy of the PIPEPHASE file along with its database
files is stored in the PRO/II Temp directory. This Temp folder is called the
Managed folder and it will be the working directory for that specific PPUOP. All
PIPEPHASE related files reside in this folder during the PRO/II simulation run.
The files in the Managed folder are under the control of PRO/II and any changes
made to these files by providing inputs through the PIPEPHASE GUI launched
by clicking PIPEPHASE GUI are saved to the files in the Managed folder and
not to the PIPEPHASE database files in the original location.
When a PRO/II session is saved, a new zip file PRZfileanme_UnitID.zip with all
the PIPEHASE files (.inp, .pp0, .pp1, .out and other intermediate files for version
8.2 and. ppzip for version 9.0) is created by copying all the PIPEPHASE files
Chapter 9
from the Managed folder. This zip file will be archived into the PRO/II .prz along
with the conventional PRO/II (.pr1, .pr2, .sfd..) files.
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Pipe
General Information
The Pipe unit is used to model single or multiphase pressure drops in pipes
and/or fittings which connect unit operations. This unit may be used in two
modes: Rating Mode where the pressure drop is computed based on a specified
line diameter, and Design Mode where the line diameter is calculated to meet a
specified pressure drop and/ or velocity criteria. Numerous algorithms are
provided for the pressure drop calculations to model a variety of piping
applications. A rigorous heat balance may also be performed for the calculations,
in which heat is transferred through the pipe to or from an ambient medium, or a
duty is uniformly applied to the length of the pipe. The phase equilibrium is
determined for the product and it may be separated into streams according to the
phases. Both VLE and VLLE calculations are supported by this unit.
Calculation Type
The Calculation Type may be selected with the radio buttons provided on the
Pipe main data entry window. Options are as follows:
Chapter 9
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adjustment factor that is applied to the calculated pressure drop to better match
actual conditions.
The Moody friction factor for the pressure drop calculations may be supplied
directly in this window, if desired. If no value is entered, the Moody friction factor
is calculated using the modified Colebrook-White equations.
The check box may be used to include or exclude the pressure drop contribution
from acceleration. Under certain high velocity or high pressure drop conditions,
this term becomes unrealistically high for the Beggs-Brill-Moody equation.
Therefore, under these conditions, dropping this term results in a more
reasonable answer.
Note: The Beggs-Brill-Moody equation does not cover critical flow.
Line/Fitting Data
Line and fitting data are supplied in the Pipe Line/Fitting Data window which is
reached by clicking Line/Fitting Data on the Pipe main data entry window. For
fixed line diameter calculations, radio buttons on this window are used to select
the input mode for the pipe diameter. When the Inside Diameter radio button is
selected, the pipe inside diameter is supplied directly. When the Nominal Pipe
Size radio button is selected, a drop-down list box is used to select the desired
pipe nominal diameter from a table of common pipe sizes. For this option, the
pipe schedule may also be chosen with a drop-down list box. When no schedule
is chosen, schedule 40 pipe is assumed in most cases.
The line length is supplied directly in this window. The maximum allowable line
length is 900,000 feet (274,000 meters).
An elevation change over the line length may be entered in the Pipe Line/Fitting
Data window. A plus value indicates an increase in elevation; a minus sign
indicates a decrease in elevation. The absolute value of the elevation change
must not exceed the line length.
One fitting K-factor may be attached to a pipe unit and supplied in this window.
The K-factor is defined as the total resistance coefficient, and is limited to a
maximum value of 100.0. Note that the supplied K-factor may be used to
represent multiple fittings, valves, and exit losses. When a pipe unit is being used
to represent a fitting or fittings only, a negligible line length should be provided.
Radio buttons are used to select the pipe roughness in this window. The
Absolute roughness may be entered in length units or the Relative roughness
may be supplied. The roughness applies to both the line and the fitting. A default
absolute roughness of 0.0018 inches or equivalent (new steel pipe) is used when
no roughness is supplied.
Chapter 9
The number of calculation segments is selected by clicking the text string at the
bottom of this window. A maximum of 50 segments may be used. The pressure
drop calculations are based on the average fluid properties in a segment;
therefore, it is important to use multiple segments for systems in which the fluid
properties vary significantly over the line length (such as multiphase systems).
The number of calculation segments has a significant effect on the calculated
pressure drop for such systems. It is also recommended that long lines be
divided into segments of 10,000 feet (3040 meters) or less. Note that a default of
one segment is used for a pipe unit unless otherwise specified.
Note: When line sizing calculations are performed, the line/fitting diameter and
fitting K-factor cannot be supplied, and these data entry fields are not available.
Values for the maximum pressure drop or the minimum outlet pressure are
supplied directly in the data entry fields provided.
A Maximum Average Fluid Velocity constraint may also be defined. This
constraint can not be violated, and the primary sizing criterion will be relaxed as
needed to not exceed the supplied maximum velocity.
The Line Inside Diameter Selection Method is chosen with radio buttons as
follows:
A default inside pipe diameter table with ten diameters is provided. The default
values may be replaced as desired. Use Clear All to clear the pipe diameter
table. The Restore Defaults button restores the ten default diameters.
A table of nominal pipe sizes and corresponding schedule numbers may be
supplied in the Nominal Pipe Sizes window which is reached by clicking Enter
Data on the Pipe Line Sizing window. Up to ten pairs of data may be provided.
Nominal pipe sizes are selected from a table of supplied values via drop-down
list boxes. The corresponding schedule numbers are also selected via drop-down
list boxes. Pipe schedule numbers default to schedule 40 in most cases. The
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Clear All button may be used to clear all selected nominal pipe sizes and
corresponding schedules.
Fixed Duty
Ambient Heat Transfer
Isothermal Operation
For Fixed Duty calculations, the supplied duty is applied evenly over the entire
length of the line. A positive value is used for heating and a negative value
signifies cooling. This option with a duty of zero is used as the heat transfer
default option. This option may be used for both forward and backward
calculations.
An overall U factor and ambient temperature must be provided for the Ambient
Heat Transfer option. The U factor has units of energy/ (area)(time)(degree). A
default value of 6F is used for the ambient temperature. The heat transfer is
computed from the pipe segment inlet and outlet temperatures, U factor, pipe
inside area, and the ambient temperature. This option may not be used with
backward calculations.
The Isothermal Operation option performs all pressure drop calculations at the
inlet temperature to the pipe unit. This option is not allowed for backward
calculations.
Thermodynamic System
The thermodynamic system for the pipe calculations may be selected with the
drop-down list box on the Pipe main data entry window. The problem Default
system is used when no other thermodynamic system is selected.
Chapter 9
Polymer Reactor
General Information
The Polymer Reactor model simulates either a free radical or stepwise
polymerization process in an ideal Continuous Stirred Tank Reactor (CSTR) or
Plug Flow Reactor (PFR). The polymerization reactions are assumed to take
place in the liquid phase and the system is assumed to be homogeneous. The
reactors may be run in the isothermal or nonisothermal modes and the operating
pressure may be set.
The Polymer Reactor calculation model allows for up to 79 different reaction
mechanisms to be used in copolymer free radical kinetics. Not all are intended to
be used simultaneously, in fact, the fewer mechanisms specified for the polymer
system, the more realistic and reliable the model.
It is assumed that the polymerization reactions occur in the liquid phase. If the
reaction leads to a two phase situation, a warning message is given and the user
must then specify new operating conditions to keep the system in the one phase
region.
The CSTR mass and energy balances are solved to identify a single stable
operating point. The polymer which exists at this operating condition is then
characterized in terms of the method of moments to provide number and weight
average molecular weights.
The PFR mass and energy balances are solved to identify a sequence of stable
operating points along the axial dimension. The polymer which exists at each
point along the axial profile is then characterized in terms of the method of
moments to provide number and weight average molecular weights.
The user must supply the feed component temperature, pressure, and
composition along with an estimate of the temperature of the isothermal reactor
or a temperature estimate for the nonisothermal reactor. Kinetic and
thermodynamic data for the reaction between chemical species must also be
provided.
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Detailed Information
For detailed information regarding operating modes, data requirements, and
range of applicability of the Polymer Reactor model, consult the PRO/II Add-On
Modules Users Guide.
Chapter 9
Procedure Data
General Information
Procedures provide a way to calculate the reaction rate based on a users own
calculation method. The reaction rate calculation is required by the plug, CSTR,
reactive distillation and batch reactor units. PRO/IIs default method for reaction
rate calculation is based on power law rate expressions. For any other rate,
expression type (such as Langmuir-Hishelwood) or any reaction rate which
deviates from the base rate (such as a reaction with a mass transfer limitation),
Procedures and the alternative User-Added Kinetic Subroutines (see PRO/II
User-Added Subroutines Users Guide) can be used to calculate the proper rate
for reactor simulations.
Procedures are essentially in line routines written in a language based on
FORTRAN 77. There are two sections to a Procedure: Setup and Code. The
setup section allows for the definition of each Procedures name, description,
variables and parameters. The code section is where all calculations are
performed. This section resembles a subroutine written in a FORTRAN-like
language.
Procedure Setup
Procedures are entered in the Procedure Data data entry window, which is
accessed through the Input/Procedure Data menu option or by clicking the
Procedure Data toolbar button
. Each Procedure in this window has a
mandatory name and an optional description. As soon as the name for a
Procedure has been entered, its Enter Data button becomes available. The
button opens the Kinetic Procedure Definition window where you may click
Edit/View Declaration to access the Declarations of variables and parameters.
Any variable names entered in Defined Procedure Variables will be
available to transfer information from the reactor unit to the Procedures it
calls. They can be DEFINEd in the reactor unit, and accessed in the
same manner as any other variable in the Procedure code.
There is only one Parameter available to be specified, which is the
maximum number of reactions allowed. This only needs be changed if
the Procedure must handle more than the default of 15 reactions.
Once setup is complete, click Hide Declaration to close the Declarations.
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Procedure Code
Note: The Procedure Code section is required and must terminate with a
RETURN statement.
The actual FORTRAN procedure is entered directly in the Code field on the
Kinetic Procedure Definition data entry window. You may check the procedure as
you compose it by clicking Check Code. The following predefined varibles are
provided from the calling reactor unit:
Kinetic data: These are the kinetic parameters are provided via K of
the Reaction Data section, and/or Unit Reaction Definitions of the
Reactor unit.
Reactor data: These data include the reactor sizing parameters and
operating conditions.
Property data: These data include the thermophysical property data of
the pure components (e.g., molecular weight or critical pressure), and
the property data of the individual components and mixture at the
reaction conditions.
User data: These are the integer, real, and supplemental data provided
by the user via Enter Data when the procedure name is specified for
rate calculations for a Reactor unit.
Procedure data: These are the defined procedure variables entered
during the Procedure setup. Their values are DEFINEd in the same
window as the User data.
The supported language features are discussed below.
Predefined Variables
The following variable names are reserved. They are used to pass values
between the procedure and the unit operation that uses the procedure.
Chapter 9
The first tables list variables thst provide input values to the procedure. They may
not appear on the left side of an assignment statement.
Procedure Data Predefined REAL Scalar Variables
Variable Name
PFR
CSTR
Batch
RxDist
X
X
X
RTEMP
Pressure
RPRES
Vapor Phase
RVMW
X
X
X
X
Liquid Phase
RLMW
L1 Phase
RL1MW
L2 Phase
RL2MW
RMW
X
X
X
X
X
X
RSPGR
X
X
RMRATE
Vapor Phase
RVMRAT
Liquid Phase
RLMRAT
L1 Phase
RL1MRA
L2 Phase
RL2MRA
X
X
Weight Rate
RWRATE
RSVRAT
RAVRAT
Vapor Phase
RVVRAT
Liquid Phase
RLVRAT
L1 Phase
RL1VRA
L2 Phase
RL2VRA
Liquid Fraction
276
RLFRAC
X
X
L1 Phase
RL1FRA
L2 Phase
RL2FRA
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Vapor PhaseViscosity
RVVISC
RLVISC
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
RLCOND
RVCP
RLCP
Surface tension
RSURF
Absolute Temperature
RTABS
TDIAM
Tube Length
TLEN X
Cumulative Length
CUMLEN
DELX
X
X
VOLUME
RLVOLU
L1 Phase Volume
RL1VOL
L2 Phase Volume
RL2VOL
Gas Constant
RGAS
X
X
X
X
X
X
X
RVVOLU
X
X
X
X
X
1 Volumetric flow rates for CSTR and PLUGFLOW are calculated using bulk compositions
assuming the specified reactor phase, even if the phase is actually mixed. A warning is
printed if the actual phase is mixed.
Chapter 9
PFR
CSTR
Batch
RxDist
Total # of components
NOC
Total # of reactions
NOR
Reaction phase
IRPHAS
ICPFA
Step #
ISTEP
IOUT
INDX
Maximum # of reactions
MAXNOR
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PFR
CSTR
Batch
RxDist
XTOTAL
XCONC
X
X
X
X
X
X
Dimension : NOC
Vapor Phase
XVCONC
Liquid Phase
XLCONC
L1 Phase
XL1CON
L2 Phase
XL2CON
XVMFRA
XLMFRA
L1 Phase
L2 Phase
XL1MFR
XL2MFR
Dimension:
70
Real
numbers
supplied
on
RDATA statement
Dimension:
200
Real
numbers
supplied
on
SUPPLE statement
Dimension: NOR Activation
Energy* Pre-exponential
factor Temperature
Exponent
RDATA
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
SUPPLE
ACTIVE
PREEXP
TEXPON
X
X
X
X
X
X
X
X
X
X
X
X
Dimension:
(NOC,NOR)
Stoichiometric
factor
Reaction order
STOICH
ORDER
X
X
X
X
X
X
X
X
XVFUG
XLFUG
L1 Phase
L2 Phase
Liquid Phase Activity
X
X
X
X
X
X
XL1FUG
XL2FUG
XLACT
L1 Phase
XL1ACT
L2 Phase
XL2ACT
XVAP
XLIQ
L1 Phase
XLIQ1
L2 Phase
XLIQ2
* There is an important distinction between the values of activation energy for in line
procedures and calculations involving local reaction sets in distillation columns or reactors.
The values of activation energy supplied the reference reaction set (in RXDATA) or in the
local reaction sets are assumed to be in thousands of energy units per mole units, whereas,
in the case of procedures, the user-supplied value is used without the above assumption.
E.g., for the SI system, a value of ACTIV=123 kJ/kmol in the RXDATA or local rxnset is used
as 123,000 kJ/kmol in calculations. A procedure using the same variable, say ACTIV(1),
would calculate based on a value of 123 kJ/kmol.
Chapter 9
PFR
CSTR
Batch
RxDist
Dimension:
10
Integer
supplied
on
IDATA
statement
Dimension:
NOR
Base
Component
Basis for Rate Calculation
for each reaction (liquid
phase)
0 = molar
1 = partial pressure
2 = fugacity
3 = mole-gamma
4 = mole fraction
5 = mass fraction
Basis for Rate Calculation
for each reaction (vapor
phase)
0 = molar
1 = partial pressure
2 = fugacity
3= mole-gamma
4 = mole fraction
5 = mass fraction
IDATA
IDBASE
Dimension: (NOC,NOR)
Phase of components in rxn
1 = Vapor
2 = Liquid
IPHASE
1 Available
ILBASI
IVBASI
X1
The following variables are the PROCEDURE block results available to PRO/II
after control is returned to the PLUGFLOW, CSTR or Reactive Distillation unit
operation. RRATES must be defined for all reactions.
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PROCEDURE Results
Variable Name
Values of solution flag:
0 Default value. PRO/II
assumes the PROCEDURE
step has solved.
1 PROCEDURE solved.
2 PROCEDURE failed, but
continue calculations if in a
recycle or control loop.
3 PROCEDURE failed, stop
all flow sheet calculations.
Reaction rates for each
reaction moles/ (liqvol*time)
1
for OPERATION PHASE=L
, B moles/(vapvol*time) for
1
OPERATION PHASE=V
RRATES(NOR)
DRDT(NOR)
PFR
CSTR
Batch
RxDist
DRDX(NOC,
2
NOR)
1 CSTR and PLUGFLOW should not be used when multiphase reactions are expected.
Except for Reactive Distillation and the CSTR boiling pot model, PRO/II assumes the phase
is 100% liquid or vapor as defined on the OPERATION statement.
2 The use of this is optional.
Chapter 9
Pump
General Information
The Pump may be used to compute the energy required to increase the pressure
of a process stream. This quantity of energy is added to the feed enthalpy to
determine the outlet temperature. Only one liquid phase is considered in the
calculations.
Outlet Conditions
The Pressure Specification for a pump is selected with the appropriate radio
button on the Pump main data entry window as:
Outlet pressure
Pressure rise DP)
Pressure ratio based on the lowest feed stream pressure.
Pump Efficiency
A pumping efficiency in percent may be supplied in the data entry field provided
on the Pump main data entry window. This value is used for the work and outlet
temperature calculations. If not supplied, a default value of 100 percent is used.
Thermodynamic System
The thermodynamic system of methods to be used for pump calculations may be
selected by choosing a method from the Thermodynamic System drop-down list
box on the Pump main data entry window.
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Reaction Data
General Information
Use the Reaction Data Sets data entry window to supply reaction stoichiometry,
heat of reaction, kinetic and equilibrium data, and to specify the base component
for each reaction. One or more reactions may be saved as separate reaction
data sets and used in all reactor types (conversion, equilibrium, Gibbs free
energy minimization, plug flow, CSTR, and boiling pot reactors). Multiple unit
operations can have common access to the same reaction data.
The PRO/II graphical user interface now supports multiple equilibrium
expressions for each Equilibrium Reactor.
Note: You may specify the base component of the reaction and provide heat of
reaction and equilibrium and kinetic data in the Reactor data entry window. For
conversion reactors, these data are considered to be local and are entered at the
unit operation level. See the Reactor section later in this chapter.
Note: Any data entered in the Reaction Data window will be passed to the Unit
Reaction Definitions window (a subwindow of the main Reactor window) and
used as default values.
Chapter 9
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Reaction Order and Activity Basis: The default reaction phase, reaction
activity bases for both vapor and liquid phases, component reaction phase and
Chapter 9
kinetic orders that are used to define the kinetic rate expression can be entered
here. Click Reaction Order and Activity Phase to specify the kinetic reaction
order and activity phase for each component, which appeared in the rate
expression. The vapor activity basis is used with all components specified with
vapor activity phase while the liquid activity basis is used with all components
specified with liquid activity phase.
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Reactor
General Information
The Reactor unit operation simulates the operation of many chemical reactors
including conversion reactors, equilibrium reactors, Gibbs (Free Energy
Minimization) reactors, Plug Flow Reactors (PFRs), Continuous Stirred Tank
Reactors (CSTRs), and Boiling Pot Reactors.
In addition to the above reactor types, PRO/II contains built-in Shift and
Methanation reaction data sets for either conversion or equilibrium reactors.
Reactor Type
For conversion, equilibrium, Gibbs, or plug flow reactors, select the reactor type
by choosing the appropriate reactor icon from the PFD palette. CSTR and boiling
pot reactors share the CST/Boiling Pot Reactors icon. Select the desired reactor
type from a drop-down list box on the main Reactor data entry window.
Reaction Set
For all reactor types other than the Gibbs reactor, you must select a reaction data
set from the Reaction Set Name drop-down list box (options include a built-in
reaction set, e.g., Shift reaction, or a user-defined set) on the Reactor main data
entry window. For the Gibbs reactor type, either no reaction data set may be
selected (option None), or a user-defined set may be specified. See the Reaction
Data section, earlier in this chapter, for more information on specifying reaction
data sets.
Chapter 9
Thermal Specifications
For most reactor types, the fixed operating temperature, the temperature rise
across the reactor, or the fixed reactor duty may be specified by using radio
buttons and entering values in the appropriate data fields. The available options
are:
Temperature Rise: This is the temperature increase across the reactor. This
option is available for conversion and equilibrium reactors only where it is the
default.
Combined Feed Temperature: The average temperature for all feed streams to
the reactor. This is available for plug flow and Gibbs reactors, and CSTRs only
where it is the default.
Fixed Temperature: You may specify the final reactor temperature for all reactor
types.
Fixed Duty: You may specify the reactor duty for all reactor types. A default
value of 0 will be used if a value is not specified. The following additional reactor
information may also be given via the main Reactor window:
External Heat: You may specify information on the external heating or cooling
source by selecting the External Heat option. This is for plug flow reactors only.
Click Enter Data and enter data in the External Heating/Cooling window.
Temperature Profile: You may enter the reactor temperature profile in tabular
form as a function of the actual reactor length, or as a function of percent or
fractional distance along the reactor. This is for plug flow reactors only.
Reactor Data
Click Reactor Data from the main Reactor data entry window to open the
Reactor Data window where you can supply reactor configuration information.
For these reactor types, you may choose an error handling option by clicking the
Stop calculations hypertext. The options are:
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You must provide the reactor volume for CSTRs in the Reactor Data window.
Optionally, you may also provide estimates of the product flow rate.
Enter the following data for PFRs in the Reactor Data window:
Reactor Length: The total length of the reactor. Data for this field is mandatory.
Tube Inside Diameter: The inside diameter of the PFR tubes. Data for this field
is mandatory.
Number of Tubes: The total number of tubes in the PFR. Default is 1.
Number of Points for Profile: The number of equidistant locations along the
reactor length for the temperature profile. Default is 10.
Integration Options: You may select one of four integration options:
Chapter 9
Open Pipe: Select this option, when the packing is not found in PFR.
Packed Pipe: Select this option, when the PFR is packed with catalyst
particles.
If you have selected Open Pipe under Reactor Type, the first three options
mentioned above will be made available to the user.
If you have selected Packed Pipe under Reactor Type, except Pressure Drop
Method all other options will be made available to the user.
Inlet and Outlet Pressure: Selecting this option will enable the Inlet and Outlet
section. User is prompted to enter data listed under the following section.
Inlet
Outlet
Pressure Profile: Selecting this option will enable the Enter Data button. Click
Enter Data to open the Pressure Profile dialog box. Select the appropriate
Location option from the drop-down list and start entering the data for Location
and Pressure.
If you have selected Open Pipe in the Reactor Type section, Pressure Drop
Method will be made available for selection.
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In case you have selected Packed Pipe in the Reactor Type section, Packed Bed
Pressure Drop will be made available for selection.
Pressure Drop Method: Selecting this option will enable the Enter Data button.
Click on it to open the Pressure Drop Method dialog box.
Pressure Drop Correlation: Select the appropriate pressure drop method listed
in the drop list.
Pressure Drop Correlation
Beggs-Brill-Moody
Olimens
Dukler-Eaton-Flanigan
Significance
This is the default PRO/II method, and
is the recommended method for most
systems, especially single phase
systems.
Used for gas condensate systems,
which uses the Eaton correlation to
calculate liquid holdup and Moody
diagrams for friction factor.
This hybrid correlation is for gas
condensate systems that are mainly
gas.
Gray
Hagedorn-Brown
Mukherjee-Brill
Beggs-Brill-Moody-Palmer
Chapter 9
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You may supply the following reactor calculation options for the boiling pot
reactor in the Reactor Data window:
Tolerances: The absolute temperature and relative mole fraction and enthalpy
tolerances for the reactor may be changed from their default values of 0.1, 10 -5,
and 10 -4 respectively.
Note: If the Fixed Duty option is specified on the main Reactor data entry
window, an estimate of the reactor temperature may optionally be provided in the
Reactor Data window. The minimum and maximum temperature defaults of 457.87 F and 4940.33 F may also be overridden.
Maximum Liquid Volume: If a fixed volume is not supplied on the main Reactor
window, you may supply a maximum liquid reactor volume in this window. A
default of 3531.5 ft 3 will be used if a value is not provided.
Initial Volume Estimate: An initial volume estimate may optionally be supplied
in this window.
Component product rate estimates may also be supplied by clicking Product
Estimates on the Reactor Data window.
The number of Broyden trials before the Jacobian matrix is updated may be
specified along with the derivative step size multiplier by clicking on the
appropriate underlined linked text. The defaults are 3 trials and a step size
multiplier of 0.01.
Chapter 9
Gibbs Reactor
For the Gibbs reactor, the user may provide a number of optional calculation
options in the Reactor Data window:
Maximum Iterations: The maximum number of iterations allowed. The default is
50.
Convergence Tolerance: The relative convergence tolerance. The default is 10
-4 for isothermal conditions and 10 -6 for adiabatic conditions.
Fibonacci Tolerance: The convergence tolerance for the Fibonacci search
calculations. The default is 0.01.
In addition, you may specify the physical property evaluation method by clicking
on the underlined hypertext. The options are:
Evaluated at each step: The physical property values are reevaluated at each
step of the search. This is the default.
Used from previous iteration: The physical property values from the previous
iteration are used.
You may select the product rate estimate option by clicking on the underlined
linked text. The available options are:
PRO/II default: The default generates an initial estimate of the product rates
using the PRO/II method.
Average of all feeds: This uses the average of all feed rates to generate an
initial product rate estimate.
Supplied reacting component rates: This option uses the values given for the
reacting component estimated rates. Supply reacting components and estimated
rates in the Reacting Components window, which is reached by clicking Reacting
Components and Estimates on the Reactor Data window.
The options to specify the parameters for the free energy minimization phase
calculations are found in the Phase Split Parameters window. This opens by
clicking Phase Split Parameters on the Reactor Data window.
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Note: The Phase Split Parameters window is available only if the Reactor
Operation Phase is specified as Calculated on the Unit Reaction
Definitions window. See below for Unit Reaction Definitions.
The options available on the Phase Split Parameters window are:
Initial Phase Estimate: This entry is the phase used for the initial reactor
calculations. The user may select the vapor, liquid, vapor-liquid, liquid-liquid,or
vapor-liquid-liquid phase. The default is vapor-liquid.
First Phase Evaluation at Iteration: Specify the first iteration where the phase
will be reevaluated. The phase should not be evaluated too early because the
reaction results may still be far from the final solution. The default is 6.
Phase Evaluation Frequency: Specify the number of iterations between phase
evaluations. The default is 4.
Minimum Phase Tolerance: When the molar ratio of a phase to the total
quantity of material is less than this value, the phase is considered as nonexistent. The default is 10 -6 .
Atomic groups can be provided in the Atomic Groups window. This window can
be reached by clicking the User-specified Atomic Groups button on the
Reactor Data window.
Chapter 9
Units: The temperature, weight, volume and pressure units of measure for the
equilibrium equation can be changed by clicking on the underlined linked text.
Options are restricted to R or K for the temperature units.
Conversion Reactor
You may overwrite the stoichiometric coefficients for the first reaction in the
selected reaction set by clicking the Define the Stoichiometry for the First
Reaction check box. The values of stoichiometric coefficients are to be
determined from the calculation results of the selected Calculator unit.
Frequently, this feature is applied to use a single reaction to represent the overall
reaction behavior in the reactor and, therefore, there is only a single reaction
defined in the entire reaction set. The stoichiometric data displayed in the grid
box are merely used to echo the reaction equation previously defined in the
Reaction Data section.
Continuously Stirred Tank Reactor and Boiling Pot Reactor
You may supply the reactor operation phase, reaction activity basis and kinetic
rate calculation method in the CSTR Unit Reaction Definitions window.
Reactor Operation Phase: The options are vapor or liquid phase for the
CSTR, but restricted to liquid phase for the BPR.
Reaction Activity Basis: For vapor phase, the options are Molar Concentration,
Partial Pressure or Fugacity.Forliquid phase, the options are Molar
Concentration, Fugacity or Activity. Currently, only homogeneous reaction rate
expressions based on either vapor or liquid phase reactions are allowed for the
CSTR. For BPRs, heterogeneous reaction rate expressions are allowed.
Kinetic Rate Calculation Method: The options are Power Law, User Added
Subroutine or Kinetic Procedure. If the default is used, the reation rates are
computed by power law kinetics in the form of the general Arrhenius equation.
For any of these methods, kinetic data can be entered through the Kinetic Data
button.
Power Law: The default method.
User-added Kinetic Subroutine: This option directs the CSTR module to use a
User-added Subroutine (UAS) written in FORTRAN to perform reaction rate
calculations. Specify a Subroutine Name in the Unit Kinetic Data window. The
identifiying arguments for the subroutine name U1, U2 U5 correspond to
user-added subroutines USKIN1 USKIN5 respectively. After selecting the
user-added kinetic subroutine, you can enter local values (i.e., specific just to this
reactor) for variables to be used for the rate calculation. Use the upper left table
to supply local values for an array of real variables, the lower left table for any
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array of integer variables and the upper right for an additional (Supplemental)
array of real variables. These local data, kinetic reaction data specified in the
selected reaction set, and thermophysical property data of the reaction mixture
will be provided to the selected kinetic subroutine for reaction rate calculations.
Refer to the PRO/II User-added Sub-routine Users Manual for instructions on
creating and installing UASs.
Kinetic Procedure: This option directs the CSTR module to use a user-supplied
in line kinetic Procedure to perform reaction rate calculations. After selecting the
name of the Procedure (which must be first defined in the Procedure Data
section), you can enter values for local variables similar to the procedure for the
User Added Kinetic Subroutine mentioned above. Additionally, you may provide
the values for those procedure variables (PDATA) used by the selected
Procedure.
Plug Flow Reactor
Data that may be specified for the Plug Flow Reactor are the same as those
described above for the CSTR.
Pre-exponential Factor: The pre-exponential factor for the kinetic power law rate
Chapter 9
Extent of Reaction
To specify the extent of the reaction for a conversion, equilibrium and Gibbs reactors only.
Click Extent of Reaction on the main Reactor data entry window to open the Extent of
Reaction window.
Conversion Reactor
You may select the base component from which the conversion data were
determined. If the base component is not selected (select none), the
stoichiometric coefficients of the reaction will be taken as the absolute moles
reacted. You may supply constants for the second order temperature-dependent
fractional conversion equation in this window. Default values for the constants
are given in the table. Click on the underlined linked text to change the
temperature units of measure for the conversion reaction. If the temperature units
of measure are not specified locally, the problem temperature units are used.
Equilibrium Reactor
The base component for user-supplied reactions must be specified in the Extent
of Reaction window. You may access this window via the Reaction Set window,
which contains a list of the reactions that have earlier been defined for the flow
sheet. Upon choosing the desired equation, the Extent of Reaction window
appears. (The base components of built-in reactions such as Shift and
Methanation are predetermined and need not be supplied by the user.)
You may specify the approach to conversion either as a temperature or a
fractional approach. As was the case with the Conversion reactor, you may
supply constants for the second order temperature-dependent fractional
conversion equation in this window. Default values for the constants are given in
the table. Click on the underlined linked text to change the temperature units of
measure for the conversion reaction. If the temperature units of measure are not
specified locally, the problem temperature units are used.
Gibbs Reactor
The extent of reaction can be provided on a global basis in the Extent of
Reaction window (as a component percent converted, or as a component
product rate). The extent of reaction can also be specified for each individual
reaction as a temperature approach or a base component product rate.
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Amount of Catalyst
For boiling pot reactors only, you can specify the amount of a nonvolatile catalyst
componenton a weight or molar fraction, or total weight or mole basis in the
Catalytic Components window (which may be reached by clicking Catalysts on
the Reactor Data window). Before the button becomes active, the following
conditions must be met:
Pressure
For conversion, equilibrium, Gibbs reactors and CSTRs, click Pressure on the
main Reactor window to enter the following reactor pressure options in the
Pressure data entry window:
Pressure Drop: The pressure drop across the reactor. This defaults to 0 if not
supplied.
Outlet Pressure: The pressure at the reactor outlet.
For the plug flow reactor, either the inlet and outlet pressure or a pressure profile
along the reactor length (actual length, or percent or fraction of tube length) may
be entered on the Pressure window:
Inlet: Either the pressure drop below feed (the default is 0 psi), or the inlet
pressure may be supplied.
Outlet: Either the pressure drop below inlet (the default is 0 psi), or the outlet
pressure may be supplied.
Chapter 9
Print Options
For all reactor types, excepting the Gibbs reactor, the following print option is
available through the Print Options window:
Print Calculation Path for Enthalpy Balance: This option prints the calculation
path for the heat of reaction calculation.
Thermodynamic System
The thermodynamic system of methods for the reactor calculations may be
selected by choosing a method from the Thermodynamic System drop-down list
box on the main Reactor window.
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Reactor, Batch
General Information
The Batch Reactor unit operation models material production as a result of
simultaneous and/or sequential reactions in the liquid contents of a reactor
vessel. Phase equilibrium analysis during the reaction allows for the tracking or
removal of vapor phase products. The Batch Reactor may be run in a true batch
simulation mode, with the reactants charged to the reactor vessel prior to the
onset of reactions, and product taken from the vessel at the end of reaction
process, or in a semi-batch mode where reactants may be introduced throughout
the reaction process. Batch reactor calculations may also be integrated into a
steady-state process simulation. The unit configuration automatically considers
the presence of holding tanks for steady flow streams to provide the time-variant
reactants to the batch unit. Implicit holding tanks are also considered for the
product streams to provide a coupling of the time-variant process to the
continuous process simulation environment. A representation of the product
steady flow stream comes from an overall process time average of the quantity
accumulated into a given product.
Currently, the Batch Reactor supports only liquid-phase reactions. A reaction
may produce one or more vapor constituents. Whether the vapor constituent(s)
will return to the liquid phase and again be available for reaction(s) will be
determined by equilibrium analysis done at the end of each time step.
Thermodynamic System
The thermodynamic system for the unit is selected by using the Thermodynamic
System drop-down list box in the Batch Reactor dialog box. Batch Reactor also
allows the use of electrolyte thermodynamic methods.
Detailed Information
For detailed information about the use of the Batch Reactor unit operation,
consult the PRO/II Add-On Modules Users Guide.
Chapter 9
Solid Separator
General Information
The Solid Separator unit models the separation of solid phase material from a
mixture of feed streams. The unit operates adiabatically at the lowest of the
individual feed stream pressures.
Calculation Method
The solid separator provides the option of specifying the fraction of the solid
components in the total feed that is removed in the bottoms stream. The default
fraction of the solid components removed in the bottoms stream is 1.00. An
adiabatic flash calculation is used to determine the product phases and the outlet
temperature based upon the thermal condition of the combined feed.
The solid separator unit supports both VLE (two phase) and VLLE (three phase)
calculations to determine the individual phase compositions. See the online
Technical Information discussion entitled VLE Model and VLLE Model for more
details. To access the main data entry window for VLE and VLLE calculations,
select Tools/Binary VLE from the menu bar.
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Splitter
General Information
This unit may be used to split a single feed or mixture of feeds into two or more
products of identical composition and phase condition. The outlet stream
pressure may be specified, if desired, and an adiabatic flash used to determine
the outlet temperature and phase. A choice of options is provided for splits in
which insufficient feed is available to meet the specified product rates.
Chapter 9
Thermodynamic System
The thermodynamic system of methods to be used for splitter calculations may
be selected by choosing a method from the Thermodynamic System drop-down
list box on the Splitter main data entry window.
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Stream Calculator
General Information
The Stream Calculator unit blends any number of feed streams and splits them
into two product streams with defined compositions and thermal condition. It may
also be used to create a pseudoproduct stream based on the blended feeds or
by defining the amount of each component in the stream.
Chapter 9
Mode of Operation
The mode of operation is specified by the number of feeds and products attached
to the unit so it is important to connect the streams correctly before entering the
unit data.
Stream Splitting
In order to define the component splits, specifications must be entered in the
Product Specifications window to define how much of each component goes into
either the overhead or the bottoms product. Specifications may be on single
components or on ranges of contiguous components. Several specifications may
be required and some may specify the amount of components in the overhead
and others the amount in the bottoms product. Each component must appear in
one, and only one, specification. The component rates, recovery or composition
in a product may be specified.
The thermal condition of the products may optionally be defined in the Overhead
Product Conditions window and the Bottoms Product Conditions window.
Pressure defaults to the lowest feed pressure. If no temperature specification is
supplied for either product, the product temperatures are set equal at a value
calculated from the enthalpy balance, using the duty entered on the Stream
Calculator window. If one temperature is supplied, the other temperature is
calculated to meet the enthalpy balance. If both temperatures are given, duty is
calculated.
Temperature specifications may be a temperature value, the temperature rise
above the feed, dew or bubble point or an approach to dew or bubble point.
Stream Creation
In order to define the pseudoproduct, specifications must be entered in the
Pseudoproduct Specifications window to define how much of each component is
in the product. Specifications may be on single components or on ranges of
contiguous components and several specifications may be required. At least one
specification must be defined. Any component which does not appear in a
specification will be set to zero in the pseudoproduct. If the unit has feeds,
component rates, recovery or composition in the product may be specified,
Otherwise, the component rates must be defined.
If there is no feed to the unit, pseudoproduct thermal condition must be defined in
the Pseudoproduct Conditions window. If there is a feed, the temperature and
pressure specifications are optional. The pressure defaults to lowest feed
pressure and the temperature is calculated to satisfy the enthalpy balance. If a
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duty is supplied, it will be used only for the stream splitting enthalpy balance.
Duty is not used for the pseudoproduct enthalpy balance.
Temperature specifications may be a temperature value, the temperature rise
above the feed, dew or bubble point or an approach to dew or bubble point. If
there is no feed, the temperature rise specification cannot be used.
Thermodynamic System
The thermodynamic system of methods to be used for the stream Calculator may
be selected by choosing a method from the Thermodynamic System drop-down
list box on the Stream Calculator main data entry window.
Chapter 9
Spec/Vary/Define
General Information
PRO/II has an extensive system of cross-referencing for flow sheet parameters.
Flow sheet parameters include operating conditions for unit operations,
calculated results from unit operations, and stream flows, compositions, and
properties. For example, the supplied outlet pressure for a Pump, the calculated
temperature for a dew point Flash, and the simulated D86 ninety-five percent
distilled temperature for a Column product stream are all flow sheet parameters.
Most unit operation parameters may be either DEFINEd or SPECified relative to
any other flowsheet parameter in the problem. Some unit operations may VARY
a flowsheet parameter that would ordinarily remain constant at the input value.
The table below summarizes the methods for cross-referencing flowsheet
parameters:
SPEC: A unit operation or stream performance specification (calculated result)
must meet a desired value, either on an absolute basis or relative basis.
VARY: A unit operation or stream flow sheet parameter is varied from the
supplied value.
DEFINE: A unit operation parameter is defined by cross-reference to another
flow sheet parameter.
PRO/II uses a common format for the SPECification, VARY, and DEFINE
features. Each feature is discussed separately below. Tables are also presented
with cross-reference availabilities of the flow sheet parameters for streams and
the unit operations.
SPECifications
By definition, a SPECification must always be a calculated flow sheet result. The
following unit operations use the generalized SPEC format to define the
performance of the unit: Flash, Splitter, Column/Side Column, and Controller.
A SPEC has the following general form:
Parameter = value within the default tolerance
A choice for the Parameter and a numeric entry for the value must be supplied by
clicking on the underlined hypertext strings to gain access to the pertinent data
entry fields. Optionally, the tolerance basis may be changed from the default to
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absolute or relative and the default tolerance value of 0.02 replaced by direct
entry.
Click on the Parameter hypertext to access the Parameter window.
Choose the Stream or Unit from the drop-down list box.
Select the unit or stream name in the drop-down list box.
Finally, click on the Parameter hypertext and select the desired
parameter from the window that is displayed. Note that only those unit or
stream parameters that are valid for use as a SPEC are available.
If the SPEC is not related to another flow sheet parameter:
Click OK to return to the unit specification.
Click on the value hypertext, and enter the desired numeric value for the
SPEC.
To create a mathematical expression for the SPEC:
Select the = sign linked text and select an option from the pop-up
window. Choices are as follows:
No Operator
Primary parameter only (the default)
+ Operator
Primary parameter plus reference parameter
(SUM)
- Operator
Primary parameter minus reference parameter
(DIFFERENCE)
/ Operator
Primary parameter divided by reference parameter (RATIO)
x Operator
Primary parameter times reference parameter (TIMES)
Select the Reference Parameter and click on the Parameter text string,
and select the desired reference parameter from the list which is
displayed.
Note: Only those unit or stream parameters which are valid for a specification
are available.
Chapter 9
Specification
Unit/Stream
[Stream]
Parameter
[Vapor Pressure]
Example 2: Duty of exchanger X103/ Duty of exchanger X104 = 1.0
+ 0.001
Unit or stream parameter = a value within a relative tolerance of 0.02
|
|
|
|
|
[1.0]
[absolute] [0.001]
Specification
Unit/Stream
Unit Name {Parameter Window}
[Heat Exchanger] [X103]
Parameter
[Duty]
Reference: [/ Parameter =]
Reference Parameter
Unit/Stream
Unit Name {Parameter Window}
[Heat Exchanger] [X104]
Parameter
[Duty]
Note: [ ]denotes user input.
VARYs
For each SPEC in a flow sheet, there must be one VARY or degree of freedom.
The VARY for the Flash unit is implicitly defined, i.e., not defined explicitly by the
user. For Flash units with specifications, the degree of freedom is the
temperature when the pressure or pressure drop is given and the pressure when
the temperature is supplied. Other unit Operations which have VARYs are the
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Specification
Unit/Stream
Unit Name {Variable Window}
[Flash]
[D101]
Parameter
[Temperature]
Note: [ ]denotes user input.
Chapter 9
DEFINE
The DEFINE is used to dynamically define the value for a flow sheet parameter
that ordinarily has a fixed versus calculated value in the flow sheet. Thus, the
value for a unit operating condition may be set to a value that is based on a
calculated flow sheet parameter. For example, the DEFINE may be used to set
the temperature for an isothermal Flash to the temperature that is calculated for a
Compressor outlet stream plus 10 degrees. This concept greatly enhances the
flowsheeting capability of PRO/II, and, in fact, nearly every unit operation input
parameter may be DEFINEd in PRO/II.
To define a flow sheet parameter:
Select the parameter in the appropriate window for the unit operation. At
this point, the Define button on the toolbar is activated if the parameter
may be DEFINEd. Click Define to access the Definition window.
From this window, select the check box to enable the DEFINE options.
Click on the Parameter text string and select the desired parameter from
the window which is displayed.
Note: Only those unit or stream parameters which are valid for use as a DEFINE
are available.
If the DEFINE is not related to another flowsheet parameter click OK to
return to the unit window. If the DEFINE is related to another flow sheet
parameter, establish the appropriate mathematical relationship.
Mathematical expressions for a DEFINE are created in a manner
completely analogous to that described above on page 9-136 for a
SPEC.
Select the reference parameter type in the same manner as used to
select the primary parameter.
Click the OK button in the child windows to return to the unit operation
window.
For a constant:
Select Constant from the Constant/Stream/Unit drop-down list box in the
Parameter window.
Enter a numerical constant in the supplied data entry field.
The following example illustrates the use of a DEFINE:
Example 4: DEFINE the temperature for Flash drum D103 to be the
temperature of stream S104 minus 15 degrees.
[Select the temperature field on the Flash Second Specification]
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SPECS
Flash
Splitter
Column
Controller
DEFINE1
All Units
VARY2
Controller
Temperature
Yes
Yes
Yes
Yes
Yes
Pressure
Yes
Yes
Yes
Yes
Yes
Enthalpy
Yes
Yes
Yes
Yes
Mole Weight
Yes
Yes
Yes
Yes
Total Flow
Yes
Yes
Yes
Yes
Yes
Yes
Component
Yes
Yes
Yes
Yes
Yes
Flow
Composition
Yes
Yes
Yes
Yes
Phase Fraction
Yes
Yes
Yes
Density/Volume Yes
Yes
Yes
Yes
Distillation
Yes
Yes
Yes
Yes
Curve
Vapor Pressure Yes
Yes
Yes
Yes
Transport
Yes
Yes
Yes
Yes
Property
Refining
Yes
Yes
Yes
Yes
Property
Special User
Yes
Yes
Yes
Yes
Property
1 In general, any applicable stream property may be used to define a unit operating condition.
Note that not all stream properties are applicable to all unit operating conditions.
2 With the exception of the Column, only the Controller may vary stream parameters. The
Column may vary the total flow of a feed strean.
Chapter 9
Unit
Within Operation
External
Controllers
Parameter
SPEC
VARY
DEFINE
Reference1
SPEC
VARY
Result
Parameter
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Temperature
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
-
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Specification
Yes
Yes
Yes
Yes
Yes
Specification
Yes
Yes
Yes
Yes
Yes
Specification
Yes
Yes
Yes
Yes
Yes
Constraint
Yes
Yes
Yes
Yes
Yes
Calculator
Stream Calculator
Pressure
Delta T
Temp.
Below
Bubble Pt.
Temp.
Above
Dew Pt.
Delta P
Feed Cofactor
Duty
Frac. Overhead
Frac. Bottoms
Frac. Product
Overheat Rate
Bottoms Rate
Product Rate
Comp.
Overhead
Comp. Bottoms
Comp. Product
Controller
MVC
Optimizer
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Column
Yes
Yes
Yes
-
Yes
Yes
Yes
Yes
Yes
-
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Duty
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Temperature
Yes
Reflux
Reflux Ratio
Duty
Feed Rate
Draw Rate
Specification
Percent of Flood
Max % of Flood
Downcomer B/U
Max D.C. B/U
CS Approach
Flood Approach
Tray Diameter
Max Tray Diam.
Condenser Pres
Top Tray Pres
Tray Delta P
Column Delta P
Tray Temp
Feed Tray No
Draw Tray No
Duty Tray No
Tray Effy Factor
P/A Rate
P/A Return T
Product Moles
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Thermosiphon Reboiler
Circulation Rate
Vapor Fraction
Liquid Fraction
Outlet Temp
Delta T
Yes
Yes
Yes
Yes
Yes
LLEX
Specification
Top Tray Pres
Feed Rate
Draw Rate
Yes
Yes
Yes
Yes
Yes
Pump
Chapter 9
Yes
Yes
Yes
Yes
Efficiency
Diameter
Yes
Yes
Yes
Yes
Max velocity
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Outlet Pres
Delta P
Pres. ratio
Work
Head
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Pipe
Average velocity
Delta P
Duty
Rel Roughness
Abs Roughness
Friction Factor
Flow Efficiency
Length
Heat Transfer
Coeff.
Ambient Temp
Delta P Max
K-Factor
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Simple Exchanger
Duty
Cold Delta P
Cold T Out
Cold Liq Fr
Cold Subcool
Cold Supheat
Hot Delta P
Hot T Out
Hot Liq Fr
Hot Subcool
Hot Supheat
LMTD
Zoned LMTD
Overall U
Area
U * Area
Ft Factor
Approach
MITA (Pinch)
316
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
JUNE 2005
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Min. Approach
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Splitter
Temperature
Pressure
Delta P
Specification
Yes
Yes
Yes
Valve
Temperature
Pressure
Delta P
Compressor
Outlet Temp
Outlet Pres
Delta P
Compr. Ratio
Actual Work
Head
Adiab. Effy
Chapter 9
Poly Effy
Max. Press
Cooler DP
Cooler Temp
Temp Estimate
RPM
Curve RPM
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Expander
Outlet Temp
Outlet Pres
Pressure Drop
Expans. Ratio
Actual Work
Head
Adiab. Effy
Min. Pressure
Flash
Temperature
Pressure
Delta P
Duty
Specification
Entrainment
Pseudo Prod.
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Mixer
Temperature
Pressure
Delta P
Specification
Yes
Yes
Yes
Pump
Temperature
Outlet Pres
Delta P
Press Ratio
Work
Head
Efficiency
Yes
Yes
Yes
Yes
Yes
Equilibrium Reactor
Temperature
318
Yes
Yes
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Yes
Pressure
Delta P
Duty
Conversion
Stoic. Coeff.
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Conversion Reactor
Temperature
Pressure
Delta P
Duty
Conversion
Gibbs
Temperature
Pressure
Delta P
Duty
PFR
Temperature
Pressure
Delta P
Inlet Pres.
Delta P In
Duty
Tube Diameter
Length
No. of Tubes
U
Max Veloc.
Temp In
Temp Out
Pre-exp. Factor
Activation E
Conversion
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
CSTR/Boiling Pot
Temperature
Pressure
Delta P
Duty
Conversion
Pre-exp factor
Activation E
Volume
Chapter 9
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Min. Temp.
Max. Temp.
Max. Veloc.
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Depressuring
Final Pres.
Relief Pres.
Final Time
Relief Time
Relief Duration
Valve Constant
Valve Back P.
Valve Coeff.
Critical Flow
Factor
Init. Wetted A
HT Area
HT Coeff
HTC Fac
Vapor HTC
Liquid HTC
Coeff C1
Coeff C2
Coeff C3
Coeff C4
Coeff C5
Final Temp
Final Duty
Final Vent Rate
Vess. Vol.
Liquid Holdup
Vess. Diam.
Vol. Corr. Fac.
Ht. of Holdup
Vess Weight
Vess. CP
Tan-tan Vess.
Length
Tan-tan Vess.
Height
Time Step
Isen Eff.
Heat Scal. Fac.
Area Scal. Fac.
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
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General Information
The PRO/II User-added Unit Operation capability enables users to add their own
FORTRAN subroutines to simulate any type of unit operation or to perform
calculations on flow sheet parameters. The subroutine must first be linked into
the PRO/II program and it is then accessed via the graphical user interface in the
same way as any other unit operation.
The User-added Unit Operation has access to the PRO/II physical property data
and may call the PRO/II flash and property calculation subroutines. Other
information, such as input and output dimensional units, is also available. See
the PRO/II Data Transfer System and User-Added Subroutine Users Guide for
information on writing and interfacing User-added Unit Operation subroutines.
The developer of the User-added Unit Operation can also customize the Useradded Unit Operation Data window to request only data which may be required
for the calculations.
Note: If transport properties are required in the User-added Unit Operation, you
must select a suitable method in the Thermodynamic Data.
Chapter 9
Stream Reordering
If the User-added Unit Operation has more than one feed or product, they will be
shown in the order in which they were laid down on the PFD. The user may need
to reorder the streams so that they are presented in the correct order to the Useradded Unit Operation. For example, the User-added Unit Operation may always
feed vapor to the first product stream and liquid to the second.
Reordering is done in the User-added Subroutine - Stream Reordering window
accessible by clicking Reorder Streams on the User-added Unit Operation Data
window.
Entering Data
Data are supplied to the User-added Unit Operation in four tables:
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Real Data
Supplemental Data
Integer Data
Heat Balance Data
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Chapter 9
File USERXX.INI
This file contains the variable names and array locations for all of the Real,
Supplemental, Integer, and Heat Balance Data values that the specific useradded calculation subroutine requires or that can be input by the user. For a
user-added subroutine with a customized data entry window, a user will only be
able to enter values for the data items specified in this file. The XX in the name
of the USERXX.INI file corresponds to the respective user-added subroutine
referenced, i.e. the user-added subroutine USER41 with a user-specified name
of PIPE DP Routine above would need a USER41.INI file to describe the
required data for the calculations. An example of a typical USERXX.INI file is
shown below:
Example USER41.INI file:
IPARM 1
RPARM 1
RPARM 2
...
SUPPLE 1
...
iPPrint ControllN
iPDiameter (in)lm
iPLength (ft)lg
Required
Required
Required
No. Of Segments
Required
The first entry on each line indicates to which data array the variable belongs.
The second entry is the array number where the data value entered by the User
will be stored for access by the User-added calculational subroutine.
The third entry is the label to be displayed for the variable in the customized data
entry window. This entry must be enclosed in double quotes ().
The fourth entry on each line indicates whether or not data entry for the item is
Optional or is Required. The default is Optional, and this entry is not required.
The entries in the USER41.INI file shown above will result in the following
required data values and variable names being shown in the custom window
displayed for data entry, for any User-added Unit Operation where the userselected PIPE DP Routine as the user-added subroutine when the unit was laid
down on the PFD as shown below.
Customized UAS Data Entry Window
The order in which the variable labels appear on the customized User-added Unit
Operation Data window is the same as the order in which they appear in the
USERXX.INI file.
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The limits on the number of variables that can be entered for each array are
shown below. These limits are:
Each table shows the name(s) of the variable(s) for which values must be
entered. They will scroll if they contain more than four rows. All data entries
displayed using a customized data entry window are required. No checks on
validity or completeness of the data are carried out until the User-added Unit
Operation is executed.
The user must know which elements of each array are used by the User-added
Unit Operation and enter the array element number along with the value. Values
may be entered for any or all of the elements in the arrays. The elements defined
need not be contiguous and may be entered in any order.
PRO/II knows nothing about the data requirements of a User-added Unit
Operation and so no restrictions are imposed in the data entry.
Note: Unless the user defines a custom Data Entry Window for a specified Useradded Unit Operation, the data entry for that unit will be via the developers data
entry window.
Chapter 9
Electrolyte Module
General Information
The optional Electrolyte Module of PRO/II allows you to handle systems
containing electrolytes. See the PRO/II Add-On Modules Users Guide for more
information. The following unit operations can be used with this electrolyte
version:
Flash
Pump
Valve, Mixer, Splitter
Pipe
Simple heat exchanger, LNG heat exchanger
Conversion reactor, Equilibrium reactor
Stream calculator
Heating/Cooling curve
Calculator
Controller, Optimizer
Column (Electrolytic Algorithm, see below)
Thermodynamic Models
Eight built-in electrolyte models in PRO/II simulate aqueous systems in a wide
range of industrial applications. The models apply to fixed component lists with a
predefined set of thermodynamic methods for K-values, enthalpies and densities.
It is not possible to define individual methods for K-value, enthalpy or density
when using electrolyte thermodynamic models.
Note: Electrolyte models may not be used to calculate the following properties:
(1) Nonaqueous electrolyte systems; (2) Free water decant;
(3) Water dew points; (4) Hydrocarbon dew points, (5) Entropy and heat capacity.
The following electrolyte models are available in this release:
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Amine Systems
Acid Systems
Mixed Salt Systems
Sour Water Systems
Caustic Systems
Benfield Systems
Scrubber Systems
LLE and Hydrate Systems
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32-390 F (0-200 C)
0-200 atm
0-30 mole %
0-30 ionic strength
0-30 atm
0-10 weight %
You may add your own models, specifically suited to your application, by using
the PRO/II and the Electrolyte Utility Package (EUP). If you wish to do this,
contact your nearest SIMSCI support office for more information.
Note: Take care when using nonelectrolyte and electrolyte thermodynamic
methods in the same application. The PRO/II electrolytic models use a different
enthalpy basis from that used for other thermodynamic systems. When both are
used, PRO/II automatically takes care of the difference but it may appear to be
confusing. To avoid this, select the electrolyte enthalpy method for all
nonelectrolyte thermodynamic systems in a mixed application. All systems will
then use the electrolyte model basis.
Chapter 9
Note: Electrolytic thermodynamic models only support VLE and so total phase
draws are not permitted.
Advantages and disadvantages of the Electrolytic Column Algorithm are given
below:
Advantages
(1) Rigorously models ionic equilibrium systems.
(2) Solves highly nonideal distillation columns.
Disadvantages
(1) Side columns are not supported.
(2) Pumparounds and tray hydraulics are not available.
(3) Certain Column Specifications and Variables are not permitted.
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This reactor unit has been added to PRO/II as part of the SIMSCI Add-on Models
(Polymer CSTR) and is available from SIMSCI as the SIMSCI Polymer CSTR
module.
Required Data for the Polymer Reactor Unit
This version of PRO/II does not allow you to enter the necessary Component,
Stream, or Thermodynamic Data via required the data entry windows. However,
you can enter the necessary Polymer CSTR data using the Polymer CSTR data
entry window for the SIMSCI Add-on Model.
To enter data for the Polymer CSTR:
Once you have entered your simulation data, including the data for the Polymer
CSTR, but excluding any polymer-specific thermodynamic, stream, or component
data, you will need to do the following:
Chapter 9
For additional information, refer to the PRO/II Add-On Modules Users Guide.
The product stream pressure may also be supplied, but if it is not given, the
pressure will be set to the lowest feed stream pressure.
The unit thermodynamic method component properties will be recalculated from
the blend of the feed streams properties and will then be stored as part of that
thermodynamic method data storage. Only petroleum and assay generated
component properties will be recalculated; it is assumed that Library component
properties do not change in the flow sheet. The unit first recalculates the normal
boiling point, molecular weight and specific gravity for all the petroleum
components. These recalculated properties are then used to recharacterize all
the other petroleum fraction properties such as the critical temperature.
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Note: In this version, a warning message will alert you if the thermodynamic
method of the unit operation is different from the thermodynamic method of any
of the feed streams. This warning message applies to all unit operations except
for the RESET unit, the BLEND unit and any Profimatics reactor models.
Chapter 9
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Valve
General Information
The Valve is used to model the Joule-Thompson effect that occurs
across a pressure restriction such as a valve, orifice plate, etc. The temperature
for the exit fluid is computed by assuming that the operation is adiabatic.
Rigorous calculations may be performed for both VLE and VLLE systems.
Outlet Conditions
The outlet condition for a valve is selected with the appropriate radio button on
the Valve main data entry window as:
Pressure drop
Outlet pressure
Thermodynamic System
The thermodynamic system of methods to be used for valve calculations may be
selected by choosing a method from the Thermodynamic System drop-down list
box on the Valve main data entry window.
Chapter 9
General Information
The Wiped Film Evaporator unit operation (WFE) provides the capability to model
the separation of solvents and/or monomers from a polymer melt. A Wiped Film
Evaporator should be used when the removal of volatiles from a viscous polymer
melt is diffusion limited. The blades inside the wiped film evaporator continually
mix and spread a thin film of the melt on the wall of the evaporator. As the melt
moves down the evaporator, the volatiles diffuse out of it and into the vapor
space of the evaporator. The volatiles are pulled out of the evaporator under
vacuum.
Detailed Information
For detailed information regarding operating modes, data requirements, and
range of applicability of the Wiped Film Evaporator model, consult the PRO/II
Add-On Modules Users Guide.
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Chapter 9
Chapter 10
Running and Viewing a Flow
sheet
This chapter describes how to run a simulation, interactively change the
calculation sequence, use breakpoints, and view calculation history and results.
Chapter 10
Description
Status
Check Data
Run
Step
Stop
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Set Breakpoints
Goto
Messages
View Results
Show Breakpoints
Chapter 10
A black border indicates that no errors were found when Check Data was last
performed.
In all cases, the status can be viewed by selecting Status.
To see the current global status messages for your simulation:
Choose Status from the Run palette. The Flowsheet Status window
appears. The Check Data results appear in a scrollable window.
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Significance
Yellow
Red
Green
Blue
Dark Blue
Purple
Chapter 10
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Using Goto
Use Goto to start execution from a selected unit. This can be invoked at program
initiation or after execution pauses while stepping or stopping.
To start the execution from a specified unit:
Select a unit on the PFD.
Choose Goto from the Run palette.
The selected unit becomes the current unit. When execution completes on this
unit, its Goto status is removed.
Using Breakpoints
You can set a breakpoint on any unit. Breakpoints can be before the unit
operation, after it, or both. You can set breakpoints using the cursor or by utilizing
the Breakpoints window. In addition, you can set breakpoints before and after a
loop using the Breakpoints window.
To set breakpoints using a cursor:
Choose Set Breakpoints from the Run palette to turn on the Breakpoint
mode. This automatically brings up the Breakpoints window.
Select the unit for which you want to set a breakpoint.
Choose Close to exit the Breakpoints window.
PRO/II turns units selected as breakpoints purple and updates the values in the
Breakpoints window.
To delete a breakpoint in Breakpoint mode:
Select the unit. PRO/II will no longer show this unit as purple.
PRO/II updates the values in the Breakpoints window to show that there is no
longer a breakpoint attached to this unit.
The Breakpoints window lists all unit operations in the calculation sequence and
identifies the breakpoint type for each unit: (before, after, both). Units without a
breakpoint are considered Off. Breakpoints are for use during the current
session. PRO/II does not save breakpoint information.
Chapter 10
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Viewing Results
Use View Results to display results for the selected stream or unit in the default
text editor.
To view results for a stream or unit:
Select the desired stream or unit.
Choose View Results from the Run palette, or
Click View Results
on the toolbar.
Alternatively, you can view process unit and stream results via the Unit List and
Stream List (Go To) windows:
Click unit or stream
.
Highlight the desired unit or stream.
Click View Results
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Stream property tables are set up from the PFD palette by adding a stream
properties icon to the PFD.
Double-click the stream properties icon on the PFD to display the Stream
Property Table window.
Choose the method for available stream selection by selecting the
appropriate radio button:
Include All Streams: This is the default. All the streams in the flow sheet are
displayed in the Available Streams list box.
Include Flow sheet Source/Sink Streams: Only those streams entering the
flow sheet as feeds and leaving the flow sheet as products are displayed in the
Available Streams list box, producing a material balance check for the flow sheet.
The streams in the Displayed Streams list box may be sorted using the Up,
Down, Top and Bottom buttons.
Chapter 10
The appearance of the steam property table itself may be altered by the user in
the Stream Property Table window. Options include multiple rows per table,
displaying the row grid lines, and setting the widths for the borders, lines, and
property cell characters.
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to the value of the parameter in the base case. When you close this window, the
starting value will be displayed.
Start Cycle: The start cycle is the cycle after which the incremental changes are
implemented. Cycles before the start cycle use the value in the base case. If
necessary, enter a new start cycle number. By default, the starting cycle is one
(1).
End Cycle: Cycles after the end cycle use the value in the end cycle. If
necessary, enter a new end cycle number. The end cycle defaults to the value of
the start cycle.
Step Value: Next, define the value of the incremental step change per cycle. The
new step value will be displayed.
Results: The table of results initially has one row. You may insert or remove as
many rows as you wish. You may define a Result as one flow sheet parameter or
as a function of two flow sheet parameters or as a function of one flow sheet
parameter and a constant. See SPEC/ VARY/DEFINE in Chapter 9 for details on
using and changing mathematical operators and composing specifications.
Result Identifier: The result identifier will be used when you define how you
want the output data to be presented after the Case Study has been executed. A
default identifier is supplied. To change the result identifier, click on it and enter a
new identifier.
First Parameter: Click on the first (or only) parameter to open the Parameter
window where you select the parameter that you want as a Result or as the first
element of the function you are defining.
Second (Reference) Parameter: Click on second parameter to open the
Parameter window where you select the parameter (or constant) that you want
as the second element of the function you are defining.
Execution Options: Select from the Execute: list to execute the base case only
or the base case and the case study. If you do not want to execute all the cycles
of the case study, select Base Case and Specified Cycles and specify a
beginning and ending cycle.
Chapter 10
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C:\SIMSCI\PROII_W\USER\CASE1.INP
C:\SIMSCI\PROII_W\USER\CASE2.INP
; The following list file to be loaded
; contains flash problems
#include flash.LST
Note: The #include directives may be nested, e.g., in the example above,
flash.LST itself could contain the directives #include dewpt.LST and #include
bubpt.LST.
Chapter 10
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The specified list will be executed in the order shown in the File Sequence box.
When the execution is complete, a message will be displayed to notify you that
the batch mode execution has been completed.
Chapter 10
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Chapter 11
Printing and Plotting
This chapter describes how to generate, view and print reports, and generate
and print plots. Printer setup is also described.
Chapter 11
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Chapter 11
365
Generating a Report
You can generate a report to a file. Use the Define Format option to define the
format of the report.
To generate a report from an executed simulation:
Click Generate Reports
on the toolbar, or choose Output/Generate
Reports from the menu bar.
As PRO/II generates the report, a window appears, displaying the status of the
report as it runs. Once the report has been generated, the default editor window
appears displaying the contents of the report. PRO/II appends an .OUT
extension to the current simulation name and saves the file in the USER
directory.
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Viewing a Report
To view a previously generated report of the current simulation:
Choose Output/View Report from the menu bar.
To view a previously generated report for any simulation:
Choose File/Open from the menu bar.
Select Report Files in the List Files of Type list box and choose the
desired file.
Printing a Report
To print the report:
Print from your text editor while viewing the report, or
Choose File/Print from the menu bar.
Select Report in the Print drop-down list box in the Print window.
Click OK .
Plotting
PRO/II generates and displays a variety of plots for input data and tabulated
results. The following plots can be generated:
Input Data
Assay stream analysis
Output Results
Distillation column profiles (temperature, flow rates, composition, and
separation factor)
Zones analysis for simple and rigorous heat exchangers
Phase envelopes
Heating/Cooling curves
Plots can be displayed using PRO/IIs Plot Viewer or Microsoft Excel. The section
Setting Up the Plot Driver later in this chapter describes how to select and
configure the plot driver.
Chapter 11
367
Generating a Plot
To generate an assay stream analysis plot, select View Curve... on the Stream
Assay Definition window. Three curves will be generated:
The actual user input distillation data
The regressed TBP curve
The component cuts generated.
To generate one of the output results that PRO/II supports:
Choose Output/Generate Plot from the menu bar. PRO/II displays the
Generate Plot window as shown in Figure 11-10.
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Plotting a Column
To obtain a plot of vapor and liquid compositions:
Choose Vapor and Liquid Compositions, then choose Options to open
the Column Vapor and Liquid Composition Plot window.
Chapter 11
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Chapter 12
Customizing the PFD
Workplace
This chapter surveys the customization of PFD appearance. You can control unit
and stream appearance, modify the stream property tables, and set the font style
used on your PFD.
Chapter 12
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Chapter 12
Selecting a global default property list for all stream labels in the flow
sheet
Choosing from a group of predefined property lists
Creating a custom stream label property list
Positioning stream property labels anywhere on or beside the streams on
the PFD
Choosing the type of border for any label
Choosing a different font for any label
To Select a Global Default Steam Property:
Choose Options/Drawing Defaults/Stream Display from the menu bar
to open the Stream Style window.
From the Stream Label Type drop-down list, choose the Properties
option.
Choose one of the predefined property lists and click OK to commit your
choice.
The property list that you have selected will appear on all streams subsequently
drawn on the PFD.
Creating a Customized Stream Property List
PRO/II allows you to create customized property lists for use in Stream Property
Tables. You can use the same property list in more than one simulation. The
default Stream Property Table is outlined by a single-lined rectangular box. You
may arrange the properties in any desired order, and you may separate entries
by single or double horizontal lines to improve the legibility of the list.
To select a property list:
Choose Options/Stream Property Lists from the menu bar to display the
Define Property List window (Figure 12-8).
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Chapter 12
can save any displayed text to a file or printer. The default editor is the
Programmers File Editor (pfe.exe).
To specify a default editor:
Choose Options/Editor from the menu bar to open the Set Text Editor
window.
Enter the full path name to the editor executable program file.
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Index
Aligning Text, 77
INDEX
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