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GETTING STARTED
PRO/II Getting Started Workbook The software described in this document is furnished under a
License agreement and may be used only in accordance with the
terms of that agreement. Information in this document is subject
to change without notice. SIMSCI-ESSCOR assumes no liability
for any damage to any hardware or software component or any
loss of data that may occur as a result of the use of the informa-
tion contained in this document.
Copyright Notice Copyright © 2004 SIMSCI-ESSCOR All Rights Reserved. No
part of this publication may be copied and/or distributed without
the express written permission of SIMSCI-ESSCOR, Rancho
Parkway South, Lake Forest, CA 92630.
Trademarks PRO/II SIMSCI, and SIMSCI-ESSCOR are registered marks of
SIMSCI-ESSCOR.
Windows, Windows 95, Windows NT, Windows 2000, Windowns
XP, and MS-DOS are registered marks and/or trademarks of
Microsoft Corporation.
All other products are trademarks or registered trademarks of
their respective companies.
Introduction. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1
Launching PRO/II . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
Distillation Basics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81
Index . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119
History of SIMSCI designed its first flowsheet process simulator, SSI/100, after the
PRO/II distillation program SP05. Marketed in 1974, SSI/100 had break-through
capabilities for its time.
PRO/II - The That is when SIMSCI created PRO/II - the calculation engine of the
Calculation future. It is easy to install on almost any computer. With a flexible archi-
Engine tecture, PRO/II will adapt to future needs, since there is no limit to the
number of components, streams, units and recycle loops it can handle.
PRO/II - The The graphical user interface opens PRO/II's architecture to a true Win-
Graphical dows environment. This “PROVISION” interface displays your process
User Interface flowsheet diagram with unprecedented clarity and flexibility.
2 Introduction
Where to Find Additional Help
Documents User manuals are shipped with your copy of PRO/II. A complete set of
documents is provided on the CD in the form of .PDF files that are most
conveniently viewed using Adobe Acrobat Reader, supplied on the
installation CD. If you required additional manuals, contact your sales
representative.
Online Help PRO/II comes with online Help, a comprehensive online reference tool
that accesses information quickly. In Help, commands, features, and data
fields are explained in easy steps. Answers are available instantly,
online, while you work. You can access the electronic contents for Help
by selecting Help/Contents from the menu bar. Context-sensitive help is
accessed using the <F1> key or the What's This? button by placing the
cursor in the area in question.
Technical PRO/II is backed by the full resources of Simulation Sciences Inc. (SIM-
Support SCI), a leader in the process simulation business since 1966. SIMSCI
provides the most thorough service capabilities and advanced process
modeling technologies available to the process industries. SIMSCI's
comprehensive support around the world, allied with its training semi-
nars for every user level, is aimed solely at making your use of PRO/II
the most efficient and effective that it can be.
SIMSCI offers technical support for PRO/II for all questions sent by fax,
E-mail or regular mail. In North America, call our hotline support at 1-
800-SIMSCI1. When contacting Technical Support, please include the
following in your correspondence:
■ Name and company, phone and fax numbers
■ Product version number
■ Problem description, including any error messages that you received
and the steps necessary to duplicate the problem
■ If you are e-mailing your problem, please include an electronic copy
of the .INP or .PRZ file.
■ When calling in a request, please have this workbook available and
be near your computer to be able to walk through any difficulties.
Conventions Before you begin this workbook, you should be aware of several conven-
tions. These include:
■ Text written in the SMALLCAPS style is used to denote unit operation
names. These items appear on the PFD palette. For example, FLASH,
OPTIMIZER, COMPRESSOR and STREAM PROPERTY TABLE.
■ Italicized text denotes menu items, dialog box names and fields, and
lists. For example, File, Save As..., the Source Data dialog box, and
Composition Defined.
■ Buttons within dialog boxes are represented as gray-filled boxes
with white overlaid text, such as OK , Status , and Add -> .
■ Text in < > brackets indicates keyboard strokes.
■ The , icon indicates a cautionary note or a useful tip.
SIMSCI has made great efforts to ensure that PRO/II is compliant with
Microsoft Windows. As a result, much of what follows will be familiar
to experienced Windows users.
■ Click, Highlight or Select: Place the pointer on the item and press the
left mouse button.
■ Double-click: Same as click except you press the left mouse button
twice with only a very short pause between clicks.
■ Open: To open a dialog box or object, place the pointer on the object
and click or double-click the mouse.
■ Drag: Move the mouse while holding the left button down
Specific PRO/II features include:
■ "..." Ellipses indicate items that, when selected, bring up a window
or dialog box, for example, Modify... and Enter Data... .
If you click on the word, value, for example, a dialog box will open
that allows you to enter a number.
■ Underlined words that appear in one of PRO/II's Help screens are
"jump text". If you click on the underlined text, you will jump to that
section of the Help documentation.
■ Dotted, underlined wordsthat appear in PRO/II's Help screens pop-up
a short definition window when pressed. They differ from jump text
in that they do not change the current Help window, they simply add
an additional window to the screen.
, Note: Save your work often! PRO/II does have an autosave feature
but you should still save regularly to the simulation database.
Figure 1:
Welcome to
PROVISION
Dialog Box
6 Launching PRO/II
Exploring the PRO/II Desktop
The visual engineering of PRO/II makes building a simulation easy.
Functional colors, menu-graphics and picture icons guide you every step
of the way. On-line references refresh your memory on equations and
guidelines. And if you encounter trouble, Help is available when you
need it.
Main The PRO/II main window, shown in Figure 2, is your primary work-
Window space. This window forms the interface between you and the PRO/II pro-
gram. This is where you will build and run all your simulations, as well
as open files, save the current data, or exit the program.
You will use all the familiar Windows features such as multiple views,
toolbar buttons, menus, dialog boxes, drop-down lists and hotkeys.
Figure 2:
PRO/II Main Window
Title Bar The window title contains the name of the current simulation and view.
Menu Bar All functionality can be accessed through the menus.
Toolbar Shortcut buttons for many commonly used PRO/II operations are
provided. These include data entry window buttons, pan and go-to buttons,
run function buttons and PFD tool and drawing buttons.
Primary Workspace This is where you draw your flowsheet. You can have multiple views of the
flowsheet open at the same time.
Scroll Bars The vertical and horizontal scroll bars enable you to move vertically and
horizontally through a window.
Status Bar The bar at the bottom of the window gives quick help on the highlighted
button or window.
PFD Palette Also known as the Unit Operations Palette, you use this to add unit
operations and streams to your flowsheet. You can show or hide this
palette and change its position on the screen.
Run Palette Use this palette to run your simulation interactively. You can show or hide
this palette and change its position on the screen. Usually, the shortcut
buttons on the toolbar are used instead.
Control-menu Box The standard Windows control-menu in the top left corner can be used to
move, resize or close the application window.
Menu Bar Directly below the title bar of the main PRO/II window you will find the
main menu bar. It gives you easy access to the command menus.
Many of same commands are available through the buttons on the tool-
bar.
If you have a low resolution screen, such as 640x480 VGA, you can
change this standard toolbar to the compact toolbar (which contains
fewer buttons) by selecting the Toolbar option on the View menu.
Color Cues PRO/II uses color cues to inform you of the status of your simulation.
Colors are used to indicate:
■ Completeness of data supplied for units, streams and overall simula-
tion parameters
■ Real-time execution status of each of the unit operations.
The significance of the colors you will encounter while working with
PRO/II are summarized below.
Palettes PRO/II provides two palettes: a PFD palette and a Run palette. Both are
displayed in Figure 2.
PFD Palette
You add unit operations and streams to the flowsheet with the icons on
the PFD palette. You can show or hide the PFD palette using the PFD
Palette button on the standard toolbar.
Run Palette
For most simulation calculations, the Run and Stop buttons on the tool-
bar, which start and stop the calculations, are all you will need. The Run
palette allows you to take more control of the calculations by calculating
units one at a time or introducing breakpoints.
Viewing the PRO/II allows you to pan over the flowsheet, search for a specific unit or
Flowsheet stream, and view multiple views of the same flowsheet.
Panning
You can pan the contents of the flowsheet using the Pan View window,
which is opened by clicking the Pan View button or by selecting View/
Pan View from the menu bar. This window gives a panoramic view of the
entire flowsheet. A bounding box identifies the area of the flowsheet vis-
ible in the active view. You can move the bounding box to view a differ-
ent region of the flowsheet, or you can change its size to adjust how
much of the flowsheet is visible in the active view.
The Window menu also contains options for cascading and tiling your
flowsheet views. Simply choose Cascade, Tile Horizontally, or Tile Ver-
tically from the Window menu. To change the active view, click on the
title bar of the desired view, or highlight the name of the view from the
Window menu.
A Systematic Because some options depend on others, you should establish a routine,
Approach logical approach for entering the data. For instance, you cannot enter the
stream composition or composition-based process specifications before
declaring the components in the process. You may want to change the
input set of units of measure before entering user-defined components
and streams. All calculations hinge on your choice of thermodynamic
methods.
2 4 6
Check the Select Provide
Units of the Process
1 Measure 3 Thermo 5 Conditions 7
Output is written to the output (*.OUT) file. You can view your results in
a variety of ways ranging from plots and tables to pop-up windows with
values for each stream and unit.
■ Time dependencies
■ Combined units
Thus
PI TI PI TI
LC
LC LC
simplifies to
All the control valves, pressure and temperature indicators have been
eliminated. You can also eliminate utility systems such as cooling water
(as here), steam and refrigerants from the simulation if you are only
interested in the duties they provide.
Thus
becomes
Flowsheet Figure 4 shows the default stream designations for the simple heat
Defaults exchanger, the flash drum, and the column unit in PRO/II.
Figure 4:
PRO/II Unit Defaults
You can set the units of measure on a global, simulation, and/or field
level.
Simulation The easiest and most efficient way to enter data involves setting the input
Defaults units of measure for the active single simulation, and then proceed to
change the units of measure for a specific field of a unit dialog box, if
necessary.
To change the default units of measure set for a simulation, click the
Units of Measure button on the toolbar to open the Default Units of Mea-
sure dialog box.
Figure 5:
Default UOM for
Problem Data Input
Dialog Box
➤ To change the default set, click Initialize from UOM Library , select a
set, and click OK .
➤ Make any changes to individual units, as desired.
UOM Library
You can define and save your own customized sets by selecting Units of
Measure Lists from the Options menu.
Global By default, the standard English set is the global default used to start
Defaults each simulation. You can change this global default with your own mod-
ified set so that every subsequent simulation starts with that set.
Figure 6:
Default Sets of Units
of Measure
Output Units of Normally, the output report is in the same units as the input set. How-
Measure ever, you can define a different set of units for the output.
➤ Select Same as Input for the First Output and your required output
set for the Second Output.
Changing When entering data in a data entry window, you can still enter individual
the UOM for data items in any appropriate unit.
a Single ➤ Place the cursor in the field for the item whose units you want to
Field change.
➤ Click UOM at the top of the dialog box to open the Convert Units of
Measure dialog box.
Figure 7:
Convert Units of
Measure Dialog Box
Notice, however, that the next time you open the data entry window the
value will have been converted to the defined global unit of measure.
Standard The units of measure in the standard sets are shown below.
Sets
Table 9: Standard Units of Measure
English Metric SI
Temperature °F °C K
2
Pressure psia kg/cm kPa
Weight lb kg kg
Time hr hr hr
Length ft m m
Fine Length in mm mm
Velocity ft/sec m/sec m/sec
Energy Btu kcal kJ
Work hp kW kW
Duty 106 Btu/hr 106 kcal/hr 106 kJ/hr
Heat Transfer Coefficient Btu/hr-ft2-°F kcal/hr-m2-°C kW/m2-K
Thermal Conductivity Btu/hr-ft-°F kcal/hr-m-°C W/m-K
Viscosity cp cp Pa-sec
Kinematic Viscosity centistoke centistoke centistoke
Surface Tension dyne/cm dyne/cm N/m
3 3
Liquid Volume ft m m3
3 3
Vapor Volume ft m m3
Petroleum Density API gravity kg/m3 kg/m3
Types of In PRO/II, you can enter the chemical species, or components, that exist
Components in the flowsheet in six ways:
■ As library components
■ As petroleum components (or an assay curve)
■ As user-defined components
■ As solid components
■ As polymer components
■ As ionic components
Library The PRO/II component libraries provide easy automatic access to prop-
Components erty data for nearly 2000 pure components. When running a simulation,
you can retrieve the thermophysical properties for a library component
from the PRO/II database simply by using an access name or alias. Many
components have more than one alias. For example, you can retrieve
information on methane, using any of the following:
■ C1
■ CH4
■ METH
■ METHANE.
Figure 8:
Component Selection
Dialog Box
If you don't know the exact name or alias of a desired component, you
can click Select from Lists... and search through the available lists.
Figure 9:
Component Selection
- List/Search Dialog
Box
Components are listed alphabetically, and then by case. For example, the
component ammonia (NH3) would be listed as H3N. Calcium would be
listed as Ca, not CA.
PRO/II generates all other properties using methods in the API technical
databook. You can select these methods or have PRO/II use default
methods for all component properties required for the simulation. If you
want to change the methods used, click the Assay Characterization but-
ton on the toolbar or select Input/Assay Characterization from the menu
bar, then click Characterization Options... .
Figure 10:
Component
Properties Dialog Box
Property Prediction
Whether you are supplying a user-defined component or supplementing
property data for an existing component, the quality of the results is sig-
nificantly enhanced if you use reliable experimental data. If such data are
insufficient or unavailable, you can access the property prediction capa-
bilities of PRO/II. These estimation methods are valid for organic com-
ponents that have molecular weights below 400 and fewer than 20
unique structural groups. Click Fill from Structure... in the Component
Properties dialog box to select the component(s) you want filled then
click UNIFAC Structures... to define the UNIFAC groups.
Polymers Polymers are very high molecular weight, long-chain components made
up of various combinations of monomer units with a recurring chemical
structure. Using the optional Polymer add-on module, you can define the
structure of polymer segments and specify how polymer components are
constructed from these segments. The van Krevelen group contribution
method is used to predict the thermophysical properties of polymers on
the basis of the individual structural groups.
■ Fixed properties
■ Temperature-dependent properties
■ User Defined and Refinery Inspection properties
■ Solid properties
■ Polymer properties
■ Structure data
The pure component properties that you need to run a simulation may
depend upon the selected thermodynamic method. The required proper-
ties are listed for each method in the Thermodynamic Methods section of
the PRO/II Reference Manual.
Again, in most cases, you do not need to worry about such requirements
because the components retrieved from PRO/II's databanks will have
sufficient data for any thermodynamic method.
Fixed To display the fixed properties of the selected components in your simu-
Properties lation, click Fixed... in the Component Properties dialog box. Here,
you can enter user-defined component properties or replace data for
library components. Table 12 displays the sub-dialog box in which each
property is located.
Enthalpy of Vaporization
Liquid Density
Liquid Viscosity
Solid Density
Surface Tension
Vapor Pressure
Vapor Viscosity
You can also view correlation coefficients and generate graphical plots
of temperature dependent property data. These plots are displayed in the
Plot Viewer. Each plot generated is shown in a new window, allowing
multiple plots to be displayed simultaneously. PRO/II plots can be
exported to other external applications (for example, Microsoft Excel).
➤ To view a plot, click View Curve... and select the type of plot you
want. For example, Figure 12 shows a plot of the vapor pressure of
butane.
Figure 12:
Vapor Pressure of
Butane Plot
User-Defined You can enter global data for user-defined properties by clicking
Properties User-defined Special Properties... in the Component Properties dialog
box. These global data will be used for all thermodynamic systems but
can be overridden in each thermodynamic system.
Solid All solid properties, fixed and temperature-dependent, are entered in the
Properties same dialog boxes as for user-defined components.
Structure Data Click UNIFAC Structures... in the Component Properties dialog box to
define UNIFAC structures for selected components.
Accessing Within PRO/II you are limited to examining either the fixed component
Property properties given in the printout, or those which can be viewed through
Data with the Component Properties dialog boxes. However, DATAPREP provides
you quick and total access to the PRO/II component database without
DATAPREP having to set up and run a simulation. Using the menu-driven interface of
DATAPREP, you can view fixed and descriptive properties as well as
temperature-dependent properties in tabular and graphical forms for all
the components in the PRO/II databanks. DATAPREP also contains the
following pure component fixed properties:
■ Lower flammability limit
■ Upper flammability limit
■ Auto-ignition temperature
■ Flash point.
DATAPREP also gives you the option of viewing properties for families
of components. You can view this data as either tables or graphs. Figure
13 shows a plot of vapor pressure versus temperature for a family of
alcohols. The axes have been set to plot vapor pressure (on a logarithmic
scale) versus inverse temperature. The top curve corresponds to metha-
nol, followed by ethanol, and then the remaining alcohols by increasing
carbon number.
Figure 13:
Vapor Pressure for (10E+ 3)
10000
Family
of Alcohols 1000
100
VAPOR PRESSURE (N/m^2)
10
1 0
1
0.1 2
0.01 7 3
8 4
0.001 9 5
0.0001
6
15 20 25 30 35 40
1/T (1/K) (10E- 4)
(Btu/lb-mol)
Saturated
160 Vapor Curve
EnthalpyBTU/lbmol
Heat of Vaporization
at NBP
80
ENTHALPY
Heat of Fusion Critical Point
Solid Curve at NMP
0 Saturated Liquid Curve
-80
-500 -250 0 250 500 750
Temperature F(ºF)
Component In the Component Data section of the output file (.OUT), each compo-
Data nent defined in the simulation is listed, along with its component and
Printout phase type, and nine associated fixed properties. These include: molecu-
lar weight, API, NBP, critical temperature, critical pressure, critical vol-
ume, acentric factor, heat of formation, and Gibbs free energy of
formation.
Figure 15:
Thermodynamic
Data Dialog Box
Figure 16:
Modification
Dialog Box
Ideal Methods
Ideal methods calculate the mixture properties as weighted sums of the
pure component properties. Each component's contribution is propor-
tional to its quantity in the mixture. While ideal methods often provide
good approximations for enthalpies and densities, more sophisticated
methods are almost always required for K-values.
Generalized Correlations
Generalized correlations are empirical or semi-empirical methods,
mostly based on the principle of corresponding states. They generally do
not contain any adjustable binary parameters and are primarily useful for
nonpolar hydrocarbon mixtures. Examples of generalized correlations
include the Braun K-10 (BK-10) and Grayson-Streed (GS) methods.
The basic SRK and PR equations are useful for systems of nonpolar
hydrocarbons; more sophisticated modifications are available to better
represent systems containing polar components and to calculate rigorous
vapor-liquid-liquid equilibrium.
Dissolved gases can be modeled with Henry's Law, and a heat of mixing
option can be used to correct for nonideality in the liquid enthalpy. If the
necessary parameters are available, LACT methods can successfully
describe a wide variety of nonideal mixtures (particularly mixtures of
components having similar volatility) including mixtures exhibiting two
liquid phases.
Special Packages
PRO/II contains several special packages designed for thermodynamic
calculations on specific systems. These include:
■ The Glycol package uses the SRKM method to calculate phase equi-
libria for glycol dehydration applications.
■ The Sour package and the GPA Sour Water package were developed
for sour water applications.
■ The Amine package can be used to model the removal of H2S and
CO2 from natural gas streams using aqueous amine systems.
■ The Alcohol package uses the NRTL liquid activity method to calcu-
late phase equilibria for systems containing polar compounds, such
as alcohols and water.
Electrolytes
A special add-on of PRO/II is available for systems in which aqueous
electrolyte chemistry is important. Consult your SIMSCI representative
for further details.
Polymers
The polymers add-on provides special thermodynamic packages which
are calculated by a variety of empirical methods including three activity
coefficient K-value models using ideal enthalpy and density and two
equations of state which predict all the required thermodynamic proper-
ties.
Using the free water option will result in a semi-rigorous three phase cal-
culation. The vapor phase is saturated with water at a fixed pressure, and
water is dissolved in the hydrocarbon liquid up to its solubility limit.
Any remaining water is decanted as a pure water phase. PRO/II com-
putes the solubility of water in the hydrocarbon-rich liquid phase using
one of its three water solubility correlations:
■ SIMSCI (based on SIMSCI proprietary methods)
■ KEROSENE (based on the data for the solubility of water in kero-
sene from API Technical Data Book Figure 9A1.4)
■ EOS (based on computing the water K-value with the equation of
state as the VLE K-value method).
A pure water liquid phase is formed when the partial pressure of water
reaches its saturation pressure at the flash temperature. Details of the cal-
culation are given in the PRO/II Reference Manual.
Solid-Liquid Solid-liquid equilibria can be used with all thermodynamic systems. The
Equilibrium van't Hoff solubility method calculates solid-liquid equilibrium K-values
for nearly ideal non-electrolyte systems. The solute and solvent should
be of a similar chemical nature. Select this method from the K-value
(SLE) list on the Modification dialog box.
Application Table 14 shows some applications for the most common forms of ther-
Examples modynamic methods.
Multiple For some complex processes, you may need to use different thermody-
Methods namic systems for different sections of the flowsheet. PRO/II allows you
to define multiple thermodynamic systems for use in a single simulation.
Using Multiple Using multiple thermodynamic systems within a single simulation pre-
Methods sents no complications when the materials flowing through the process
are not mixed. For example, you might use different methods for the hot
and cold sides of a HEAT EXCHANGER. On the other hand, if you are feed-
ing a product stream from a unit operation that uses one thermodynamic
system into a unit that uses a different system, you must be careful not to
introduce discontinuities in the flowsheet.
Insert “reset”
flash unit
V H*V
Set=SRK
F
Set=PR H* F Set=PR
F HF
L H*L
H F ≠ H*F
Q = (V H*V + L H*L) - F H*F
Types of Even simple flowsheets can contain several different types of streams.
Streams
Product
Internal
Feed
Recycle
External Product
Feed
You do not have to worry about resetting external feed streams. PRO/II
automatically flashes these streams prior to flowsheet execution. Each
stream is flashed using the thermodynamic system associated with the
unit it feeds. Other user-supplied streams, such as initial estimates for
recycle streams, are also flashed to be consistent with the units they feed.
Product Streams
Product streams exit the unit. No data entry is necessary, for any attribute
you provide will be overwritten by the calculated values.
Recycle Convergence
PRO/II accomplishes recycle convergence by solving the flowsheet
sequentially using iterative techniques. PRO/II's default iterative method
is direct substitution. In this technique, the units are calculated sequen-
tially many times. For example, if a recycle loop contains units A, B, and
C, then the calculational sequence would be: A,B,C, A,B,C, A,B,C, ...
Each pass through the loop constitutes an iteration. In the first iteration,
the recycle stream has a flowrate of zero, unless you explicitly provide
an estimate. At all other iterations, the recycle stream has the values that
were calculated at the end of the previous iteration. The recycle loop has
converged when the recycle stream changes are sufficiently small
between two iterations. The magnitude of sufficiently small is deter-
mined by the various recycle convergence tolerance parameters that
PRO/II uses (you are free to provide these values).
You must be aware that iterative methods are usually not guaranteed to
converge. Direct substitution, however, is fast and reliable for many
problems, although it sometimes needs your help. If you can provide a
good initial guess for a recycle stream, the loop is likely converge faster
and more reliably.
Sequencing
Another way you can control recycle loop convergence is by specifying
the calculation sequence. PRO/II provides three sequencing options:
■ The default method, Minimum Tear Streams, orders the calculations
to minimize the number of tear streams. You can think of a tear
Stream Before you enter data for a stream, you should have placed the unit oper-
Properties ations on your flowsheet and connected them together with feed, prod-
uct, and recycle streams. You should also have declared the components
that will be present in your simulation and specified the thermodynamic
methods you want to be used.
Figure 17:
Stream Data Dialog
Box
Phase
Phase data are supplied as the Second Specification after you have sup-
plied temperature or pressure. When defining the phase, you can specify
the stream as one of:
■ a saturated liquid at its bubble point
■ a saturated vapor at its dew point
■ a mixed phase stream at a liquid fraction between 0.0 and 1.0, on a
molar, weight or volume basis. Enter the value in the field provided.
For example:
If you do not define the phase, PRO/II will determine it with a phase
equilibrium calculation at the specified temperature and pressure.
➤ Select the stream type in the Stream Type group box. You define the
flowrate after choosing the stream type.
Figure 18:
Flowrate and
Composition Dialog
Box
To change the basis, click in the relevant field and click UOM at the top
of the dialog box.
Standard Conditions
If you enter data on standard liquid or standard vapor volumetric bases,
PRO/II will use the density of the phase you specify, regardless of the
actual physical state of the stream at the specified thermal condition.
For liquid volume, PRO/II determines the molar flowrate using the liquid
densities of the components at standard conditions (60°F and 1 atm). In
cases where a component is a vapor at standard conditions, the estimated
density value comes from the GPSA handbook. If the GPSA value is
unavailable, PRO/II extrapolates from the density of the saturated liquid
at atmospheric pressure.
For vapor volume, PRO/II uses the defined standard vapor conditions to
determine the molar flowrate. The actual values of the standard tempera-
ture and pressure (and therefore the computed flowrate) depend on the
default units of measure that you are using. For the metric and SI sys-
tems, STP defaults to 0°C and 1 atm of pressure. For English units, the
STP default is 60°F and 1 atm of pressure. You can change the standard
vapor conditions for your simulation using Standard Vapor Conditions...
in the Default Units of Measure for Problem Data Input dialog box.
Petroleum Assay streams differ from compositional streams by the way in which
Assay Stream their compositions are entered and referenced. When you input an assay
stream, instead of explicitly stating how much of each species is present,
you provide simple experimental data. PRO/II uses that data to charac-
terize the stream's composition in terms of petroleum components.
Thermometer
T C on d
ense
r
Burner V
% Distilled
Flowrate
➤ Enter a value in the field.
Figure 19:
Flowrate
and Assay Dialog
Box
Distillation Data
➤ Click Define/Edit Assay... to open the Assay Definition dialog box.
➤ Select a distillation type from the list:
● True Boiling Point (TBP)
● ASTM D86
● ASTM D1160
● ASTM D2887
Note that the D86 and D1160 data are almost always reported on a liquid
volume basis while the D2887 data are always reported on a weight
basis. Your flowsheet can include different types of assay streams (e.g.,
one stream on a D86 basis and another on a TBP basis).
If your distillations data has been collected at a pressure other than atmo-
spheric (760 mm Hg), you must supply that pressure.
Figure 20:
Assay Definition
Dialog Box
Optional Data
The following data are optional:
■ Light Ends Analysis
■ Molecular Weight Data
■ Refinery Inspection Properties and User-defined Properties
Figure 21:
Assay Processing Distillation Data
Flowchart
Characterize Other
s Thermophysical Properties for
Pseudocomponents
Set of
Petroleum Components
This section explains the processing required to convert the assay data to
its corresponding set of petroleum components.
Figure 23:
Computing the
Component NBP's
First, Integrate
to Get NBP’s . . . .
Light Ends
and Gravities
Temperature
2nd Cut
3rd Cut
1st Cut
Percent Distilled
Volume % Distilled
Figure 24:
Assay
Characterization
Options
Figure 25:
Assay Cutpoints and
Characterization
Dialog Box
Then, in the Flowrate and Assay dialog box, entered from the Stream
Data dialog box, you can select the cutpoint set to use with this stream.
Click on the default set of TBP cutpoints in the linked text and select the
Secondary Cutpoint Set of your choice.
Reference A reference stream is a feed stream whose attributes are defined in terms
Stream of another stream (the referenced stream). The two streams have the
same composition and can have the same rate (molar), temperature, and/
or pressure.
➤ Select Referenced to Stream in the Stream Type group box and click
the Flowrate and Stream... to open the dialog box.
Figure 26:
Reference Stream
Dialog Box
Figure 27:
Thermal Recycle
Occurring in Natural
Gas Processing
For a more efficient approach, you can rearrange the flowsheet by refer-
encing stream 4X to stream 2. This will result in the resequencing of the
PRO/II execution, and a new problem setup emerges as depicted in Fig-
ure 28. Because stream 4X is now an external feed, its thermal condition
must be provided. In this case, you can deduce temperature and pressure
from other flowsheet parameters. The temperature of stream 4X is the
same as the outlet temperature of HX-2, and the pressure is the pressure
of stream 2 less the cumulative pressure drop across the two heat
exchangers.
PRO/II can now solve the broken-recycle flowsheet, shown in Figure 28,
in a single pass.
Clearly you can only apply the reference stream concept when the com-
position of the source stream being referenced is available in the flow-
sheet. In the example given above, the composition of stream 2 is known
prior to the calculation of FLASH DRUM D-1 with a reference stream.
, Note: You can use a reference stream to break any thermal recycle
where a trim heater or cooler is used to set a desired thermal
condition in a flowsheet.
You can use a reference stream to set up the column feed at the desired
temperature. This serves to decouple the column from the preheater and
allows PRO/II to solve the column and preheater sequentially. The
required flowrate of stream 5 is calculated after the column is solved. All
recycle calculations have been eliminated.
, Note: Each time a source stream is updated, the target stream is also
updated. For this reason, you should generally not use refer-
ence streams to provide recycle estimates. If the source and tar-
get streams are part of the same or nested recycle loops,
PRO/II will reset the target stream on each pass through the
loop. Nonconvergence of the flowsheet is likely to occur. How-
ever, if the source stream is fixed (i.e., an external feed) using a
reference stream as a recycle estimate will not cause conver-
gence problems.
At times you may want to use one set of stream properties in several
places. Though PRO/II does not allow you to use the same stream name
to feed multiple units, it does offer these time-saving techniques:
■ Input the feed stream once and then reference the other feed streams
to the original.
■ Input the feed stream once and then use the stream copy feature to
define all others feed streams.
Solids Stream All streams can contain solids but there are some streams which contain
only solids. These are handled differently in PRO/II. Solids-only streams
contain only components which have been defined as solid components
on the Component Phase Selection dialog box, accessed from the Com-
ponent Selection dialog box.
➤ In the Stream Data dialog box, select Solids Only Stream in the
Stream Type group box. Click Stream Solids Data... . The Stream
Data - Solid Components dialog box appears (Figure 30).
➤ Click the appropriate Enter Data... to enter molar- or weight-based
solids flowrate and composition. Solid components which do not
have molecular weight defined can be entered only on a weight
basis.
Polymer With the exception of reference streams, you can describe attributes of
Stream polymer components in any stream. You must first define at least one
polymer component in the Definition of Polymer Components dialog
box, accessed by clicking Polymer... in the Component Selection dialog
box. You must also supply distribution data for that component by click-
ing Distribution Functions... in the Component Properties dialog box.
Then, in the Stream Data dialog box, click Stream Polymer Data... and
enter Molecular weight/Moment distributions, particle size distribution
and general attributes as appropriate.
Stream PRO/II provides several utilities for obtaining stream properties and for
Utilities creating and copying streams. In this section you will learn why these
features are useful and how to use them. These include:
■ Flash and BVLE hotkeys
■ Copying streams within the same flowsheet and between different
flowsheets
Hotkeys The PRO/II toolbar contains two buttons that allow you to calculate
stream and thermodynamic properties at any time. These options are also
accessible through the Tools menu.
The flash hotkey flashes the selected feed stream (or recycle estimate) at
its specified conditions. Simply select the stream and click the flash hot-
key button. A window displaying the temperature, pressure, composi-
tion, and molar flowrate of each phase will appear. The flash hotkey also
reports the stream's molecular weight and heat capacity. The flash hot-
key is useful in the following circumstances:
■ To find the component molar flowrates of a stream that was entered
on a volumetric or weight rate basis.
The BVLE hotkey graphically presents phase equilibrium data for pairs
of components. Figure 31 shows a sample. It also plots activity coeffi-
cients, fugacity coefficients, K-values, and compositions versus tempera-
ture, pressure, and composition. To view the graphs, click on the BVLE
hotkey and enter the desired component pair and the temperature or pres-
sure. As with any other graphic in PRO/II, you can copy the resulting
plots to the clipboard and paste them into reports, spreadsheets, etc.
Figure 31:
DãHãIð@\_dðV_bð5D81>?<ðQ^TðG1D5Bðè@ð-ð# â ð@C91ç
Sample BVLE Plot
$"
$!
2eRR\Uð@_Y^d
$ 4Ugð@_Y^d
DU]`UbQdebUäð6
#)
#(
#'
#&
#%
â" â$ â& â( !
=_\Uð6bQSdY_^ð5D81>?<ð
Copying PRO/II allows you to copy streams within the same flowsheet and/or
Streams between different flowsheets.
Assume that flowsheet APP1.PRZ contains a stream, S1, that you want to
copy into another simulation. Run and save APP1 so that the properties
(calculated or entered) of S1 are stored in the APP1 database files.
, Note: The stream data link does not allow you to copy assay data and
petroleum components that were generated from assay data.
PRO/II uses the unit operations concept to construct the flowsheet. You
must define the unit operating conditions, e.g., the outlet temperature of
a heat exchanger or the reflux ratio for a column.
Multiple You can supply any number of feeds to a unit. Exceptions to this rule are
Feeds highlighted when the unit operation is described.
When you do not provide a unit's pressure, PRO/II sets it to the lowest
feed pressure and PRO/II mixes all feeds adiabatically at this pressure.
Thermo If you have defined more than one thermodynamic system for your sim-
Options ulation, you can specify which of the defined thermodynamic systems is
to be used for the calculations of a specific unit operation. Select the
thermodynamic system from the list of available choices within the unit
operation.
If the default system is changed, unit operations that have the default
choice selected for their thermodynamic method calculations will auto-
matically use the new default system
Product Most unit operations allow you to split the product into one or more
Phases streams. You can assign the following phases to product streams:
■ Vapor
■ Liquid
■ Solid
■ Decanted Water
■ Second (heavy) Liquid
■ Vapor + Liquid (Mixture)
Flash Unit Figure 32 shows a general schematic of the PRO/II FLASH unit for a
Operation vapor-liquid system. PRO/II allows up to three products for this unit and
an unlimited number of feeds.
Figure 32: V, yi
Three-Phase
Equilibrium Flash Unit
Operation
F1, z1i
z
z
z
z
z L, x1i
FM, zMi
W, x2i
Note that Fj denotes the feed streams, V denotes the vapor product, L
denotes the liquid product, W denotes either the decanted water or the
second liquid product, and zji, yi, x1i, and x2i denote the component mole
fractions for the respective streams. Q denotes the duty added or
removed from the flash unit operation.
Solution Approach
For simplicity, consider a common special case of the above configura-
tion: a flash with a vapor product and a single liquid product. PRO/II
uses an iterative approach to solve the mass and energy balances and
equilibrium relationships for a given system. For a general two-phase
flash, these equations are:
Total Mass Balance
F=V+L (4)
Summation
∑ yi – ∑ xi = 0 i = 1,...,N (7)
i i
Heat Balance
FHf + Q = VHv + LHl (8)
For a bubble point flash, the liquid phase component mole fractions (xi)
equal the component feed mole fractions (zi). Additionally, the amount
of vapor (V) is equal to zero. Thus, the equilibrium relationship to be
solved is:
Similarly, for a dew point flash, the amount of liquid (L) is equal to zero
and the vapor phase component mole fractions (yi) equal the component
feed mole fractions (zi). Thus, in this case the equilibrium relationship to
be solved is:
The PRO/II Reference Manual provides details about the solution algo-
rithm. PRO/II allows you to provide estimates of temperature or pressure
in order to enhance convergence of the flash algorithm for all types of
flashes except isothermal flashes.
Figure 33: V, yi
Valve Unit Operation
F1, z1i
z
z L, x1i
z
Fn, zni
L2, x2i
The VALVE unit can have up to three products. Designation and handling
of the products for the VALVE unit is as flexible as for the FLASH unit.
MIXER units can only have one product; however, PRO/II always deter-
mines the product phase, regardless of which phase (V, L, W, or M) you
designate.
Figure 34: F 1, z 1i
Mixer z
z F o, zoi
Unit Operation z
F n, z ni
Figure 35: F 1 , z 1i F o1 , z o 1i
Splitter Unit z F o2 , z o2 i
z
Operation z z
z
F n, zni z
F om , z om i
The SPLITTER unit combines any number of feed streams and splits the
combined feed into products of identical composition and thermal condi-
tion. The same phase designation must be used for all products (i.e., liq-
uid, vapor, etc.). If you select an incorrect phase designation, PRO/II will
reset it to the correct phase, as with the other equilibrium calculation
units.
In addition, you must define the stream rates using generalized stream
specifications for all but one of the desired products. The SPLITTER unit
allows only rate dependent stream specifications. For example, the rate
of a component or group of components in a product is a rate dependent
specification. The recovery of a fraction of the total feed to the splitter is
also a rate dependent specification.
For a bubble point FLASH, the product is a saturated liquid, defined as the
liquid product and the pseudo-stream is a saturated vapor, defined by the
vapor product.
For a dew point FLASH, the product is a saturated vapor, defined as the
vapor product and the pseudo-stream is a saturated liquid, defined by the
liquid product.
Another useful calculation that you can perform with the dew point and
bubble point FLASH units is the determination of the "latent heat" of a
mixture. To find this quantity, the mixture must be transformed from a
saturated liquid to a saturated vapor. The heat required for this phase
change is the "latent heat," which is calculated as the difference between
the mixture enthalpies at the bubble point and at the dew point at con-
stant temperature. Keeping the temperature constant will eliminate sen-
sible heat effects in the calculation.
In PRO/II, the standard dew point calculation finds the first dew point for
a mixture. For water-hydrocarbon mixtures with hydrocarbons more vol-
atile than water, this is also the water dew point. For water-hydrocarbon
mixtures with hydrocarbons less volatile than water, this is also the
hydrocarbon dew point. These dew point calculation options are avail-
able in PRO/II for water-hydrocarbon systems that are modeled using the
Entrainment PRO/II can model the entrainment of one product phase in any other
product phase. PRO/II performs the entrainment calculations after the
FLASH unit converges. This makes the final product streams different
than the flash specifications and not in equilibrium with each other.
Defining Reactor unit operations in PRO/II use the reaction data capability. Click
Reaction the Reaction Data button on the toolbar to define the reaction data prop-
Data erties. You assign names to individual reactions and store groups of reac-
tions in reaction sets for easy organization and retrieval. PRO/II comes
with two predefined reaction sets, which contain data for the important
Shift and Methanation reactions.
Figure 36:
Reaction Definitions
Dialog Box
Reaction You can enter reaction stoichiometry by clicking on the Definition linked
Stoichiometry text. A table will appear that allows you to define your reaction by sim-
ply filling in the blanks. PRO/II will even check your stoichiometry for
errors. In Figure 36, the stoichiometry has already been defined for both
reactions.
You should be aware that PRO/II selects the default reaction rate expres-
sions based on the stoichiometric coefficients. For example, if you input
a reaction as:
2A + B = 2C
If, however, you enter the same reaction using the stoichiometrically-
equivalent form:
A + 0.5 B = C
Clearly, a given reaction can have only one rate expression. The expres-
sion is determined by the physics of the problem and should be indepen-
dent of the way the reaction is written. PRO/II uses power law kinetics
with the stoichiometric coefficients as the exponents. It is thus important
that you enter your stoichiometry to reflect the actual reaction mecha-
nism. If, for example, you know that this reaction exhibits tri-molecular
order i
∏ activityi
n
Rate = Aexp[-E/RT]T (13)
i
The Procedure block has two main sections—declaration and code. The
declaration section declares variable names, which are used in the code
section but defined in the unit operation.
Accessing After you enter your reaction data, you can select the appropriate reac-
Reaction Data tion set from within each reactor unit dialog box. The two reactions,
H2BURN and METHBURN, will be listed in the Extent of Reaction dialog
box, where you can define the order in which the reactions occur and to
what extent.
Figure 37:
Conversion Reactor
Dialog Box
Specification
Using Specification you set a target value of a calculated unit operating
condition or stream property. PRO/II meets it by varying other parame-
ters either within the unit operation or elsewhere in the flowsheet. You
can express Specifications either as actual values or as functions of other
parameters. For example, you can specify a product stream flowrate as
1000 and a flash drum temperature as its feed temperature plus 10°F.
Define
Using Define you link the value of a variable to that of an upstream vari-
able that has already been calculated. For example, you can Define a
FLASH DRUM pressure as equal to the pressure of an upstream valve
minus 0.1 bar.
If you want to meet more than one specification by varying the same
number of parameters simultaneously, use a MULTIVARIABLE CONTROL-
LER.
Optimizer2 Unlimited
1 Number of Specifications = Number of Variables
2 Number of Specifications = Number of Variables - Number of Constraints
P = Number of Product Streams
Specification In a FLASH DRUM you can make two specifications. The first specifica-
Example tion can be pressure, pressure drop or temperature. The second specifica-
tion can be either a unit specification or a stream specification.
Relative Specification
Suppose you want to formulate your specification as a function of
another parameter in the flowsheet. Specify that 95% of the butane in the
feed is recovered in the selected product stream.
➤ Click on = in the linked text on the Flash Drum dialog box and click
on / parameter.
The linked text changes to
➤ Return to the Flash Drum dialog box, click on value and enter 0.95.
➤ In the Compressor dialog box, select Work from the drop-down list.
➤ Click in the data entry field, outlined in red.
➤ Click Define .
➤ In the Definition dialog box, check the Set up Definition for Com-
pressor Work box.
➤ Click on Parameter to display the Parameter dialog box.
➤ Select Expander from the Constant/Stream/Unit list and select the
correct expander from the Unit Name list.
Stage Theoretical, or ideal, stages have the wonderful property that their prod-
Efficiency uct streams are in equilibrium with each other. Of course in reality, ideal
stages, like ideal-anything, are seldom encountered.
When a liquid and vapor are brought into contact, mass moves across the
phase boundary until an equilibrium is reached and the net mass transfer
of each component ceases. The time required to reach equilibrium is
dependent on the rate of mass transfer, the contact time, and also how the
phases are brought into contact. Consider the stages shown in Figure 38.
For the reasons indicated in the figure, the small bubble contactor is
closer to an equilibrium stage than the large-bubble contactor.
Figure 38:
Effect of Bubble Size
on Stage Efficiency
xA xA
y i, n – y i, n + 1
E iM, n = -----------------------------
- (14)
y i*, n – y i, n + 1
■ The vaporization model is the simplest of the three models, and con-
sists of a multiplier, c, applied to the equilibrium K values for a com-
ponent.
yi = ci Ki xi (15)
All of these tray efficiency models result in vapor leaving a tray that is
not at its dew point. This violates the basic assumption of equilibrium
used to derive the distillation column model. Therefore these tray effi-
ciency models should be used sparingly. Apply them only to a few trays
as needed to “tune” a model. Advanced users can use PRO/II's CON-
TROLLER to automatically determine the efficiencies that allow the col-
umn to meet survey values.
82 Distillation Basics
, Note: The above efficiency models have serious implications for the
column top tray in particular, since the condenser duty is
defined as the duty to condense the overhead vapor from its
dew point to the desired condensing temperature. Using a tray
efficiency on the condenser can result in a mixed phase leaving
the condenser. For this reason, PRO/II does not allow you to
apply efficiency factors to condensers. For similar reasons, you
cannot apply efficiency factors to reboilers.
A good practice is to divide the column into zones, and adjust the effi-
ciencies within the zones until the desired fractionation is achieved at the
measured temperatures and reflux quantities. The inherent advantage of
this approach over the supplied tray efficiency models is that the vapors
leaving the trays are always at their dew points. Table 20 gives some typ-
ical values for overall tray efficiencies.
Equations Equations
and It is relatively simple to write the equations that describe a distillation
Unknowns column. The same simple principles apply to all columns at steady state:
■ Mass and energy must be conserved.
■ The vapor and liquid leaving a theoretical stage must be in equilib-
rium.
■ The liquid and vapor mole fractions must sum to 1.
Some people like to remember this using the mnemonic, MESH, which
stands for: Mass, Equilibrium, Summation, enthalpy (H). Figure 40
shows the model for an equilibrium stage.
Figure 40: _ _
Vj y j Lj-1 xj-1
General Equilibrium Lj , Vj Liquid, vapor flowrate
Stage VDj
_ Fj Feed flowrate
F j XF
Qj Heater/cooler duty
T j Pj _ _
x j , yj Liquid, vapor mole frac
Qj _
LDj XF Feed mole fractions
_ _ hj , H j Liquid, vapor enthalpies
Vj+1 yj+1 L j xj
Tj , Pj Temperature, pressure
Subscript denotes LDj Liquid Draw rate
tray number
VDj Vapor Draw rate
Overbar denotes_ component
vectors: e.g., x = (x1, x2, ...xNC)
84 Distillation Basics
■ Steady-state mass balances for each component on stage number j
yield NC equations:
L j – 1 x j – 1 – [ ( L j + LD j )x j + ( V j + VD j )y j ] + V j + 1 y j + 1 + F j X F = 0 (18)
∑ xj
i
= 1 (20)
i
∑ yj
i
= 1 (21)
i
■ An enthalpy balance around the stage gives one more equation per
stage:
L j – 1 h j – 1 – [ ( L j + LD j )h j + ( V j + VD j )H j ] + V j + 1 H j + 1 + F j H j + Q j = 0 (22)
The simple form of the enthalpy balance and equilibrium equations hides
the fact that the K-values and the liquid and vapor enthalpies (h and H)
are usually complicated, nonlinear functions of temperature, composi-
tion, and pressure.
Unknowns
If you assume that the column pressure and all feeds are given, then the
total number of unknowns for a simple column with a reboiler and a bub-
ble-point condenser is:
Number of unknowns = NT (2NC + 3) + 2
Specifications You can balance the number of equations and unknowns in two ways:
and Variables ■ Eliminate two unknowns by providing their values
■ Add two equations by providing operating specifications.
In PRO/II, you can use both approaches. For example, when you provide
a value for a column duty, PRO/II assumes that it is the value you desire
in your simulation. PRO/II eliminates that unknown by setting its value
to the number you provided. PRO/II assumes that certain quantities, such
as overhead and bottom product rates, are estimates while others, such as
duties and side draw rates, are the values that you desire. In doing so,
PRO/II always matches the number of equations and unknowns.
In the two product column described above, you might specify values for
the overhead temperature and reflux ratio and declare the condenser and
reboiler duties as variables. Any values that you provided for these
duties will now be treated as initial estimates. These specification-vari-
able pairs will cause PRO/II to adjust the values of the duties, as well as
the column traffic, tray temperatures, and compositions to meet the
required overhead temperature and reflux ratio specifications. You do
not have to declare tray temperatures, etc. as variables because PRO/II
already considers them as such.
86 Distillation Basics
Table 21 lists the default status of all column attributes. PRO/II adjusts
the Calculated quantities from iteration to iteration until all equations are
satisfied; they are unknowns (variables) whose values you seek. If you
provide a value for a calculated quantity, PRO/II treats it as an initial
estimate. Fixed quantities, in contrast, remain at their current values for
all iterations. Think of them as variables whose values you provide. If
you want PRO/II to calculate the value of a quantity, that by default is
fixed, declare it to be a variable and provide a specification. PRO/II now
treats its current value as an initial estimate.
, Note: If you do not enter any specifications for a column, PRO/II will
fix the duties at the values you provided via the Condenser...
and Reboiler... buttons. If you have not provided these val-
ues, PRO/II will fix them at their default values, zero, and your
column will almost certainly fail to converge.
Figure 41:
Specification and
Variables
Nonlinear In the previous section, you learned that, given proper specifications,
Equations PRO/II can solve the distillation column equations to determine the val-
and Iterative ues of the dependent variables. In practice, actually solving the column
equations is an inherently difficult task because they are nonlinear. Since
Methods all of PRO/II's distillation column solving algorithms are iterative meth-
ods, a quick review of iterative methods is in order.
The goal is to find a value of x (a root) that satisfies the above equation.
We will call this value x*. All iterative methods start with an initial
guess, x0, of the solution and generate a sequence of guesses: {x1,x2,
...,xn,...} that hopefully approach x*.
Newton's Method
To illustrate a typical iterative technique, consider how the Newton
method solves the nonlinear equation, f(x) = 0. Figure 42 illustrates the
basic steps.
88 Distillation Basics
Figure 42:
Newton's Method
7__TðY^YdYQ\ðWeUcc
\UQTcðd_ðc_\edY_^
–1
VèHç n+1 n ∂f n
x = x – f(x )
∂x n
x
C_\edY_^
h h! h" hæ H
Nonlinear Pitfalls
There are few guarantees when it comes to solving nonlinear equations.
If you asked an equation solver to find the roots of the functions plotted
in Figure 43, it would fail for cases (a) and (c). Case (a) fails because the
function simply has no roots. Case (c) fails because of the continuum of
roots. Case (b) would solve; however the root it finds will depend on
your initial guess and might not be the one you desire.
Figure 43:
Function Types: No >_ðB__dc Dg_ðB__dc 9^VY^YdUðB__dc
Roots (a), Multiple Vèhç
Roots (b), and Infinite
Roots (c)
H H H
The reason you should be concerned with these solvability issues is that
you provide some of the equations (in the form of performance specifi-
cations and choice of thermodynamic methods) that PRO/II must solve.
If your specifications cause the distillation equations to have no solu-
tions, or infinitely many solutions, PRO/II will not be able to solve your
flowsheet. Such specifications usually constitute physically invalid oper-
ating conditions. For example, if you request an overhead product rate of
200 lb/hr from a column whose total feed rate is only 100 lb/hr, the mass
balance equations will have no solutions. Although the defect in this par-
ticular example is obvious, there are many examples where seemingly
valid specifications result in a column that has no solutions.
Even when your equations are well posed and do have a solution, there is
no guarantee that the iterative method will be able to locate the solution.
The success is somewhat dependent on the initial guess that you provide.
Figure 44 illustrates some interesting behavior of Newton's method.
Figure 44:
2QTðWeUcc 2edðRUddUb
Initial Guesses for
S_^fUbWUcâââ WeUccðVQY\cï
Newton's Method
Vèhç
@UbY_TYS
2 3 4 1 hæ H
■ Close to x*, the function looks very similar to the one in Figure 42,
and an initial guess that is sufficiently close to x* will lead to conver-
gence.
■ If, however, your initial guess is close to a local extremum, the value
at the next iteration will be either very large or very small, depending
on which side of the extremum your initial guess lies. An initial
guess at point A, for example, will yield a very large value of x for
the next guess. The algorithm will probably not be able to recover
from this.
90 Distillation Basics
■ If you were lucky enough to guess point B, the next guess would be
very close to the solution as indicated in Figure 44. Points A and B
illustrate a paradox in iterative methods. Although point A is closer
to the correct solution (x*) than point B, an initial guess at point A
will not converge but an initial guess at point B will.
■ Certain guesses close to the local minimum will lead to bounded
oscillations that will never settle down on a steady state. In Figure
44, guess C leads to guess D, and guess D leads to guess C. This
CDCD... sequence will repeat forever
The set of initial guesses that can be iterated to the solution is called the
basin of attraction for that solution. A large basin is desirable; it means
that the algorithm is forgiving of poor initial guesses. One of the great
strengths of PRO/II's I/O distillation and Enhanced I/O algorithms is that
they tend to have a large basin of attraction, and properly posed prob-
lems usually converge. The Chemdist and Sure algorithms, on the other
hand, tend to have smaller basins of attraction, therefore the quality of
the initial guess can make the difference between convergence and diver-
gence for these methods. The basin of attraction is also affected by the
shape of the function you are trying to solve. Figure 45 shows two func-
tions, f(x) and g(x), that have the same root but very different basins of
attraction for Newton's method. As indicated in the graph, f(x) can be
converged from a larger range of initial guesses.
Figure 45:
Basins of Attraction Vèhç
for Newton's Method
Wèhç
2QcY^ðV_bðWèhç H
2QcY^ð_VðQddbQSdY_^ðV_bðVèhç
Key Components
Understanding the concept of light and heavy keys will help you choose
appropriate specifications for your distillation problems. Distributed
components are the components that appear, in significant quantities, in
both the bottom and overhead products. The light key is the lightest of
the distributed components and the heavy key is the heaviest. The light
and heavy keys appear in small nonzero quantities in the bottom and
overhead streams respectively. You can identify the key components by
determining the percent recovery of each component in the overhead and
making a table such as the one in Table 22.
92 Distillation Basics
Table 22: Separation Keys
COMP NBP %OVHD
Most Volatile A 50 100
B 65 100
Light Key C 79 98
D 102 50
Distributed
E 120 12
Components
F 125 15
Heavy Key G 135 2
H 150 0
I 270 0
Least Volatile J 290 0
Components should be listed in volatility order for this analysis. For the
example in Table 22, note that components A and B do not appear in the
bottom product and components H, I, and J do not appear in the over-
head product. In other words, these components are non-distributed. You
should be careful in formulating specifications based on non-distributed
components. Such specifications are usually meaningless because the
tendency of the non-distributed components to exit from the top or bot-
tom of the column is so strong that operating adjustments will not affect
their split. It is almost impossible to operate a crude column to recover
2% of the methane in the bottom product; methane is simply so volatile
at the operating conditions of a crude column, that all of it will exit in the
overhead stream. This is an example of a specification that leads to a dis-
tillation operation with no solutions, like the function in Figure 43(a).
At the opposite extreme, if you specify that 100% of the methane exits in
the overhead stream, your crude column would have an infinite number
of solutions, like the function in Figure 43(c). Although this specifica-
tion is feasible, it is not a meaningful constraint on the column's opera-
tion because 100% of the methane would have exited in the overhead
whether you asked for it or not. Although this specification may be met,
it will not affect the operations of the crude column. It is vital that your
specifications contain quantities that the column variables have some
control over. This is why it is safe to formulate distillation specifications
around key component recovery.
Initial You have already seen that the quality of the initial guess can make the
Estimate difference between convergence and nonconvergence. For a distillation
Generation column, PRO/II requires initial estimates for all tray compositions, tem-
peratures, flowrates, etc., which you are free to input manually, or copy
from a previous run. In most cases, however, you will probably find it
easiest to use PRO/II's Initial Estimate Generator (IEG). The IEG saves
you the effort of inputting hundreds of guesses by automatically generat-
ing a complete set of initial guesses from a few key values that you pro-
vide. For particularly stubborn columns you can help the IEG to develop
a better starting profile by furnishing the reflux ratio and some key tem-
peratures if they are available.
Figure 46 illustrates the role the IEG plays in the simulation. PRO/II
requires you to provide a single value for column pressure; usually you
also provide the condenser, top tray, and reboiler pressures, P 1, P2, and
PN respectively. In addition, you must supply values for all but one of the
product stream flowrates. For a two product column, it suffices to pro-
vide a guess for either the bottoms flowrate, L N, or the overhead flow-
rate. The IEG then examines these values, along with the column
operating specifications to generate initial estimates (denoted by the "0"
superscript) for all of the column variables, including duties. The solver
then takes these initial guesses and iterates to the correct solutions.
94 Distillation Basics
Figure 46: P1 P2
Initial Estimate PN L N x0 y0 T 0 x* y * T *
Generator
IEG P V0 L0 Solver P V* L*
Column Q 0R Q 0C Q *R Q *C
Spec’s
, Note: You must also supply the rates for all side draws. As indicated
in Table 21, these are handled differently from the overhead
and bottom draws. PRO/II treats the furnished side draw rates
as fixed quantities rather than as estimates.
Conventional The Conventional model works for the broadest category of problems
and should be tried first for most applications. It uses classic Fenske
shortcut distillation techniques to estimate product rates and composi-
tions, which are then used to estimate temperature. Internal tray flows
are set up with material balances over each tray, using any specified
product rates and the column reflux estimate. For multi-draw columns,
the Conventional IEG uses a shortcut method developed by SIMSCI.
User-supplied performance specifications and estimates are incorporated
whenever possible. When performance specifications are unsuitable for
shortcut calculations, e.g., internal column flows or tray temperatures,
the Conventional IEG must find other specifications. The first alternate
specification is always the estimated rate for the column overhead or bot-
toms product. The quality of the column initial estimate is therefore par-
ticularly sensitive to the overhead or bottom flowrate that you provide,
so estimate this value carefully.
Chemical The Chemical model is very time consuming and you should select it
only when the other models fail. It involves the calculation of a series of
adiabatic flashes up and down the column trays several times (if neces-
sary) to generate a good initial composition profile. Although it can be
used with any column solution algorithm, you will usually select the
Chemical IEG model only when you have highly non-ideal problems,
which require you to use the Chemdist column solving algorithm. These
problems are typically azeotropic, extractive, or reactive distillation.
Subsequent Keyword users can instruct PRO/II to initialize the column calculations
Runs through either the IEG or user-supplied profiles. Once a solution to a dis-
tillation problem has been attained, subsequent runs will execute faster if
you bypass the IEG procedure and supply the converged temperature and
vapor flow profiles directly to the column. This is strictly optional and
can be accessed only through keyword input files. See the User Supplied
Profile Estimates section in the PRO/II Keyword Manual.
, Note: A serious problem can arise when you attempt to correct and
rerun a failed column simulation. Often the final set of guesses
that the solver generates before it fails are very bad; see initial
guess A in Figure 44 for example. In this case, subsequent runs
will be initialized with the bad product flowrates and the IEG
will produce initial estimates that are so far from the solution
that they will never converge.
96 Distillation Basics
To remedy this problem, you can force PRO/II to use the initial rate esti-
mates that you provided. Simply uncheck the Use Previous Solution for
Initial Estimate box in the Column - Initial Estimates dialog box.
Algorithm Choosing the column algorithm is a relatively simple, but important task.
Selection Table 23 summarizes some key features of the five column algorithms.
The Enhanced I/O algorithm is superior to the I/O algorithm for columns
with total draws, or water decants off of column trays, since the algo-
rithm is designed to converge even when zero flowrates on trays are
present. The only drawback to using the Enhanced I/O algorithm over
the I/O algorithm is that the IEG does not work for all cases.
Case 3 The Sure algorithm falls somewhere between the I/O and Chemdist algo-
rithms. Although it is slow and rather sensitive to initial estimates, it can
handle columns which are mechanically more complex than Chemdist
and thermodynamically more complex than I/O. It is a good choice for
refinery columns that have a liquid water phase on stages below the con-
denser.
98 Distillation Basics
Setting up a Case Study
The PRO/II Case Study is an executive level feature that allows you to
perform parametric studies on a base case solution by altering data selec-
tively and re-running. A Case Study allows you to make changes to input
data and examine the effect of those changes on the values of calculated
data or functions of calculated data.
A case study allows you to change the value of a specification but not the
type of specification. A case study does not allow you to change the
flowsheet by adding or replacing unit operations or streams.
Terminology To understand the case study function properly, you must be familiar
with the terminology.
You select the input Parameters you want to change. For each cycle, you
enter the changes you want to make to the parameters.
You select the output Results you want saved for later examination. A
result can be the value of one flowsheet parameter or a function of two
flowsheet parameters.
You can change as many parameters and save as many results as you
need.
Entering You can enter case study data before you run the base case. When the
Case Study program runs, the base case will be executed first and the case studies
will be executed afterwards. Alternatively, you can run the base case
Data
first, then enter case study data and execute the case studies. You can
open an already solved flowsheet, add case study data to it and then exe-
cute the case studies.
Defining You must specify which parameters are to be changed. For each parame-
Parameters ter you must supply the:
■ Starting value—you can supply a fixed value or an offset relative to
the base case value.
■ End cycle—the cycle at which the changing is to end. Cycles after the
end cycle use the value in the end cycle. If you define the end cycle
to be the same as the start cycle, the parameter will adopt its starting
value at that cycle and keep the value constant for subsequent cycles.
➤ Click the Case Study button on the toolbar. In the Case Study Param-
eters and Results dialog box, check the Define Case Study box.
Figure 47:
Case Study
Parameters and
Results Dialog Box
➤ In the linked text for the first parameter in the grid, click on
Parameter and select a parameter.
➤ The default for both start and end cycle is 1; change them as
required.
➤ The starting value defaults to the value in the base case. To change it,
click on base case value and enter one of:
● an actual value
● a value equal to the base case value plus or minus an offset
● a value equal to a percentage (or fraction) of the base case value
➤ The incremental change per cycle defaults to zero. Click on it and
define the incremental change as an absolute value or a value relative
to the base case value.
To change another parameter, add a row to the grid and repeat the pro-
cess. All parameters are varied concurrently.
Defining Each case study cycle represents a flowsheet solution. Because of disk
Results space considerations, the full results of each cycle are not stored on the
data base. So, before you execute the run, you must define those Results
that you want to be retained for later examination.
In the linked text for the first Result in the grid, click on Parameter and
select a parameter. Add a row to the Results grid and repeat the proce-
dure for the second result you want to save. If you want to define a result
as a function, click on = and select an operator.
Executing Click the Run button to execute the simulation. By default, the Base
the Case Case and all case study cycles will be executed. You can restrict this
using the Execution Options list option in Case Study Parameters and
Study
Results dialog box.
When the base case and the case studies have solved, all input parame-
ters and output results are available for you to examine in tables and as
plots by selecting Output/Case Study from the menu bar.
■ You can define any number of Tables. In each table you can choose
to present any or all of the parameters and results.
■ You can define any number of Plots. You can choose one parameter
or result or the cycle number to be the x-axis. All other data are plot-
ted on the y-axis.
You can import existing keyword files into the GUI using the Import...
option from the File menu. This produces a .PRZ file within PROVI-
SION if all the features are supported.
To generate a keyword file from your existing simulation file, choose the
Export... option from the File menu and select Simulation Data to Key-
word File. Enter the path and file name and click OK . By default, key-
word files have the extension .INP.
Keyword files are easy to read and understand and data are entered in the
following order:
GENERAL DATA
COMPONENT DATA
THERMODYNAMIC DATA
STREAM DATA
REACTION DATA
PROCEDURE DATA
UNIT OPERATIONS DATA
CASE STUDY DATA
You can run keyword files directly using the Run Batch option from the
File menu, which is discussed in the next chapter.
Interactive To run your PRO/II simulation interactively, you have two options: the
Run Run button on the toolbar and the buttons on the Run palette.
Capabilities The easiest way to run your simulation interactively is to click the Run
button on the toolbar. This button will be bordered in red until you have
entered the required input data. If you don't need to add breakpoints or
otherwise step through your simulation, this is the quickest method.
You can stop an ongoing simulation using the Stop button and restart it
with the Run button, if desired.
The Run For more control over your interactive simulation, use the buttons on the
Palette Run palette. Through the Run palette you can perform any of the follow-
ing tasks:
To view the Run palette, choose View/Palettes from the menu bar and
highlight Run. PRO/II disables the buttons on this palette until you have
supplied all required input data (i.e., there are no red-bordered buttons,
unit identifiers, or stream identifiers). Table 24 describes the Run palette
buttons and their functions.
Status Enables you to view global status messages for the current
simulation.
Check Data Checks the input data for inconsistencies.
Unit Color As your simulation progresses, individual unit operations change color
Cues (unless you disable the Show Run Colors option from the View menu).
Table 25 details the relationship between the unit status and its color.
Figure 48:
Breakpoints
Dialog Box
To set breakpoints using the Breakpoints dialog box, select the desired
breakpoint type(s) using the appropriate check box. Select one or more
units from the list and close the dialog box. You will remain in Break-
point mode and the pointer will have a B attached to it. When you run
the simulation, it will stop executing when it reaches a breakpoint.
To set breakpoints using the PFD, click Show Breakpoints to display the
units with breakpoints. With the Breakpoints dialog box open, activate
the check box to place the breakpoint before the unit, the check box to
place it afterwards, or both. Click on the unit for which you want to set a
breakpoint. The unit will turn magenta.
Run Batch You can execute keyword input (.INP) files and/or existing flowsheet
Mode simulation (.PRZ) files in Run Batch mode from within PRO/II. Running
files in batch mode generates the standard PRO/II output file for each
simulation. While executing batch simulations, you can continue to use
other Windows-based applications.
Project
ENTHALPY, MM BTU/HR 498.0910 498.0914 99.0669 87.3452
MOLECULAR WEIGHT 94.3977 94.3977 177.0008 31.4532
MOLE FRAC VAPOR 1.0000 1.0000 0.0000 1.0000
MOLE FRAC TOTAL LIQUID 0.0000 0.0000 1.0000 0.0000
MOLE FRAC H/C LIQUID 0.0000 0.0000 1.0000 0.0000
MOLE FRAC FREE WATER 0.0000 0.0000 0.0000 0.0000
ABC :
Final Microsoft Excel
Results 2000.0
1 1 1
2
2
3
4
3
2 5 1200.0
4 6
7
5
3
8
9
Saturated
6
10 Liquid
7 11
5 12
8
4 13
14
F100
9 800.0
15
10 16
5 17
11
18
19
12
20
6 13 21
C1 7 C2 14 C3 22
7 400.0
3
Plots 0
-200.0 -150.0
15% Liq. 10% Liq. 5% Liq.
-100.0 -50.0 0
Saturated
Vapor
50.0 100
Flowsheet Diagram
Interactive You can interactively view summary results for units and streams. For
Output individual units, right-click on the unit and select View Results from the
menu. For individual streams, right-click on the stream and select View
Results from the menu.
You can change the default viewer used for displaying individual stream
or unit output results by selecting Options/Viewer from the menu bar.
Your options are Editor, (HTML) Viewer, and Default Browser (such as
Netscape Navigator or Microsoft Internet Explorer).
You can present stream data on the Process Flow Diagram in the form of
stream labels. A Stream Property Table is also very effective.
By default, the stream label shows the stream identifier. You can present
more information on the stream label. Right-click on a stream and select
Display from the menu. In the Stream Style dialog box, set desired style.
If you make the selections shown above, the label display appears as:
You can move the labels by clicking and dragging them above, on, or
below the stream line.
Stream PRO/II's STREAM PROPERTY TABLE feature displays and prints data for
Property flowsheet streams.
Tables
To create a STREAM PROPERTY TABLE:
➤ Select a table type from the Property List to be Used list. Change the
table's appearance using entries in the Table Appearance box. Select
the streams you want displayed.
The simplest property table is the Short Property List which shows the
stream attributes below.
, Note: If you want to define your own table, refer to the Customizing
the Flowsheet chapter that follows.
Output You can examine most of your simulation results through the output
Report report (.OUT file).
Report PRO/II contains a wide variety of report options for customizing your
Options output format. To set these options, select Report Format from the Out-
put menu. From the sub-menu select:
■ Units of Measure
■ Miscellaneous Data
■ Stream Properties
■ Unit Operations
You can also choose to print out two output reports, one in input mea-
surements and a second in the units of your choice. A single output file
will contain both reports.
Miscellaneous Data
In the Miscellaneous Report Options dialog box, you can choose,
amongst other things, which portions of the input data you would like
reported (such as, the binary interaction parameters of defined library
components) and whether to include the flowsheet mass balance in your
output report.
Stream Properties
You can choose the way in which your stream data are reported (i.e., in
terms of moles, weight, liquid volume, or gas volume) by selecting
Stream Properties from the Report Format menu. You can also select if
you want TBP Distillation reports to be printed.
Unit Operations
You can set print options for individual FLASH DRUMs, COLUMNs, and
REACTORs by selecting Unit Operations from the Report Format menu.
Highlight the unit of interest and click Print Options... . The Print
Options dialog box for the highlighted unit appears and you can choose
which items you want included in your output report.
Generating a To generate an output report for your simulation, click the Generate
Report Report button on the toolbar or select Output/Generate Report from the
menu bar. The default editor appears displaying the contents of your out-
put report. PRO/II appends the .OUT extension to your file name and
saves the output file in the same directory that you saved your simulation
files. The default directory is C:\SIMSCI\PROII\USER.
Once you have created your output report, you can view it at any time by
selecting Output/View Report from the menu bar. Your default text editor
displays the output report.
■ HEATING/COOLING CURVE
Plot Drivers PRO/II can display plots using the SIMSCI driver or the following third
party packages, such as Microsoft Excel and GNUPLOT (Microsoft
Windows version). With Microsoft Excel, you can change plot colors,
axis titles and other attributes to create a presentation quality graph.
You can:
■ Copy your plot to the Clipboard.
■ Export the plot data to a file as either tab-delimited text or comma-
delimited text.
■ Print your plot.
■ Save your plot for future reference.
■ Open previously saved plots.
Exporting You can save the keyword input file, flowsheet diagram, and the Stream
Data Property Table using the Export option on the File menu. Saving plots,
properties, and case study results generated in PRO/II are also addressed
below.
The Options PRO/II allows you to custom-build your process environment, define
Menu your own stream property and units of measure lists, or choose your
favorite editor or viewer. It's all under the Options menu, described in
this section.
Stream Select Stream Property Lists from the Options menu to create and main-
Property Lists tain property lists for STREAM PROPERTY TABLES. Within the Define
Property List dialog box, you can create, modify, delete, and save prop-
erty lists. You can also:
■ Reorder the property entries in a selected list.
■ Change the format of the displayed data values.
■ Change the overall appearance of the table by adding blank lines or
text, altering the line, border, and/or cell character widths.
Your custom table will appear in the Property List to be Used list when
you add and open a STREAM PROPERTY TABLE on the flowsheet.
Units of The Units of Measure (UOM) library contains three default sets:
Measure Lists English, Metric, and SI. You can create, copy, edit, rename, or delete
UOM sets for the Units of Measure library. Clicking Create... allows
you to choose English, Metric, or SI as a basis and modify the set to fit
your requirements. PRO/II stores user-defined UOM sets in the library.
You can specify any set as a global default or as a simulation default for
either input data or output reports. The global default set remains in
effect for future PRO/II sessions, whereas a simulation default only
Figure 52:
General Drawing
Defaults Dialog Box
Choosing Unit Display from the Drawing Defaults menu gives you the
Unit Display dialog box. In this dialog box, you can select the type of
unit operation you want to change and enter any changes for the label
format and starting number. For certain operations, you have a choice of
icon symbol. These changes affect any unit operation that you subse-
quently place on the PFD. However, they will not change existing units.
Figure 53 shows the Unit Display dialog box with the SIMPLE HEAT
EXCHANGER icon selected. For this unit operation, you have a choice of
five icons.
Figure 54:
Stream Style Dialog
Box
Select Autosave to specify how frequent you want PRO/II to save your
current work. This option is not active by default.
Other Options The Options menu also contains a series of miscellaneous tasks. Select
the appropriate option to carry out the associated function:
■ Colors—change the default PRO/II colors, such as icon fill color, the
flowsheet color, and the border colors for the different data types, as
well as the border style and line width.
■ Editor—change the editor (such as Brief, Edit, or Notepad) that is
used to display and print keyword input files and output reports. The
default editor is the Programmer’s File Editor (PFE).
Select Text to include notes on your drawing. Once you choose text
mode, you remain in text mode as long as you continue to click OK on
the Draw Text dialog box; choosing Cancel exits text mode.
Select Page to mark off a section of your flowsheet diagram. You can
then use the Export option from the File menu to export only this
selected portion of the flowsheet to the Clipboard. Select File/Print... to
print the selected page.
Use the Create New and Create from File radio buttons to select the
method in which the object is to be created. Selecting Display As Icon
tells PRO/II not to display the embedded document and show only the
application icon.
Calculation engine 1
petroleum assay 48 E
polymer 62
Case study reference 58 Edit menu 13
parameters 99 solids 61
Editor 116
results 101 standard conditions 48
running 101 Efficiency, stage 81
Control-menu box 8
terminology 99 Electrolytes
Conventional IOG method 95
Characterization options, assay 57 component models 27
Conventions, workbook 4 thermodynamic methods 37
Chemdist algorithm 98 Convergence, recycle 44 Ellipse 117
Chemical IOG method 96 Copying English units of measure 20
Color cues simulation 6
change defaults 116 Enhanced I/O algorithm 98
streams 63
during data entry 10 Enthalpy balance 85
Creating a new simulation 6
120 Index
O normal boiling point data 24 selecting in unit dialog boxes 76
set of 57 stoichiometry 74
Objects PFD palette 8, 11 Reactors 66, 74
drawing 117 Phase change unit operations 65 Rectangle 117
OLE 118 Phases Recycle streams 44
Online help 3 product 68 Reference stream 58
Opening a simulation 6 stream 46 Refinery inspection properties 31
Options menu Plot Refinery IOG method 96
drawing defaults 114 drivers 111
Results
miscellaneous tasks 116 exporting 112
case study 101
simulation defaults 116 generating 111
viewing 15, 107
stream property lists 113 options 111
setup 117 Rigorous VLLE calculations 40
units of measure lists 113
Polygon 117 Run batch mode 105
Output
interactive 107 Polymers Run capabilities
stream property table 108 defining 26 color cues 104
stream style 107 particle size distribution 26 interactive 103
tables 107 properties 31 run batch 105
units of measure 19 stream 62 run-only mode 106
view results 107 thermodynamic methods 37 suppress warnings 117
using breakpoints 105
Output menu 101, 108 Pressure change unit operations 65
using the Run palette 103
Output report Primary cutpoint set 58
Run palette 8, 11
generating 110 Primary workspace 8
options 109 Run simulation 15, 103
Print options 110
print options 110 Run-only mode 106
PRO/II
Overhead stream 87 components 8
exiting 6 S
P importing keyword files 102
launching 6 Scroll bars 8
main window 7 Searching for a unit or stream 12
Pages 117
overview of functionality 1
Palettes Secondary cutpoint set 58
Problem description 116
PFD 11 Sequencing 44
Run 11 Problems
Shapes 117
See Exercises
Panning the flowsheet 11 SI units of measure 20
Procedure data 76
Parameters, case study 99 Simple IOG method 95
PROCESS 1
Particle size distribution SIMSCI add-ons 67
polymers 26 Process stream
Simulation
solid components 26 See Stream
copying 6
Performance specifications 86 Process unit
creating a new 6
See Unit operations
Petroleum assay stream default UOM 18
assay data entry 50 Product phases 68 deleting 6
assay processing 52 Product streams 43 importing a keyword input file 6
defining 48 Pseudocomponent 55 opening 6
distillation data 50 running 15, 103
generating assay curves 49 steps for building 14
gravity data 51 R Simulation defaults
lightends analysis 51 assay characterization 116
Petroleum components Reaction data autosave 116
applications 24 defining 73 problem description 116
defining 23 equilibrium data 75 thermodynamic system 116
gravity data 24 heat of reaction 75 units of measure 116
kinetic data 75
122 Index
Contents
Chiller Plant
Part 1. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
Part 2. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14
Part 3. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17
Part 4. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21
Part 5. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25
Part 6. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27
Gas Cooling . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31
MEK/Toluene Preheat. . . . . . . . . . . . . . . . . . . . . . . . . . . . 33
Naphtha Assay
Part 1. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39
Part 2. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43
Part 3. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45
Phase Envelope . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48
Compressor Curves. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50
Debutanizer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52
# TASK In this exercise, you will use PRO/II and DATAPREP to create a user-
defined component and predict its properties. To demonstrate the accu-
racy of the predictive methods, we will try to reproduce the properties of
acetone:
H3C C CH3
Part B Supply the Joback structure and use the modified Joback methods within
DATAPREP to estimate all the component properties of acetone (under
a different name) with and without the NBP data.
Figure 1 shows the dialog box once you have entered the data.
Figure 2:
Define UNIFAC
Structure Dialog Box
Run the simulation again to see how adding in some known data affects
the predicted properties. Rename the simulation so as not to overwrite
the previous output file.
✔ SOLUTION - In this approach, you use DATAPREP to estimate the component prop-
Part B erties. With DATAPREP, you can choose either UNIFAC or Joback
structures.
➤ Launch DATAPREP.
➤ Press <7> for Property Prediction and <1> for Automatic Property
Generation.
➤ Type ACETONE3 and define it as a SCRATCH component so that
it resides in memory and is not added into a database.
➤ Select the type of structure: <1> UNIFAC, <2> Joback.
➤ Move the cursor up and down and enter the number of occurrences
of each function group next to the appropriate identification number.
● UNIFAC: one 900 group and one 1300 group
● Joback: two -CH3 groups and one >C=O (non-ring) group
➤ When finished, return to the main menu and use the File Utilities and
Process Simulation options to write the data to a PRO/II keyword
input format.
Again, you can enter specific data, such as the NBP, to increase the
accuracy of the prediction. Table 2 compares the properties predicted
with DATAPREP against published data.
Figure 3:
Keyword File for the $ PRO/II physical property insert for:
$ Name: ACETONE3
Joback Prediction $ Formula: C3H6O
$
$COMPONENT DATA
NONLIBRARY 2, ACETONE3
$
$ Thermo methods available for use:
$ Data are missing to determine phase
$
PHASE NONE = 2
$ STRUCTURE 2,
MW 2, 0.5808004E+02
SPGR 2, 0.7533822E+00
VC(M3/KG,MOLE) 2, 0.2095000E+00
ZC 2, 0.2419194E+00
ACENTRIC 2, 0.2825258E+00
NBP(K) 2, 0.3219100E+03
TC(K) 2, 0.5002482E+03
PC(PA) 2, 0.4802500E+07
FORMATION(V,J/KG,MOLE) 2, -.2178300E+09, -.1545400E+09
NMP(K) 2, 0.1730000E+03
HFUS(J/KG,MOLE) 2, 0.5123140E+07
RACKETT 2, 0.2657684E+00
SOLP 2, 0.9211874E+01
MOLV(M3/KG,MOLE) 2, 0.7716949E-01
SVTB 2, 0.0000000E+00
SLTB 2, 0.0000000E+00
SLTM 2, 0.0000000E+00
HVTB 2, 0.0000000E+00
HLTB 2, 0.0000000E+00
HLTM 2, 0.0000000E+00
# TASK Through guided practice, you will build a simulation of the process
shown below. This is part of a chiller plant typical in natural gas process-
ing. In subsequent parts of this example, you will add other sections of
the plant to this simulation. Use the Peng-Robinson thermodynamic
method.
Figure 4:
Schematic of Chiller 6
Plant - Part 1 Compressor
C-1 D-2
2 4 5 Knockout
Drum
HX-1
Cooler
Inlet D-1
Gas Scrubber 7
3 17
P-1
Pump
D-2 Knockout drum Flash drum with no change of pressure and no duty
P-1 Pump Outlet Pressure 550 psig 3900 kPa
Efficiency 65% 65%
✔ SOLUTION
Step 1 Create a New Simulation
➤ Select New... from the File menu.
Note that several buttons on the toolbar, including the Run button have
red borders. When you have satisfied PRO/II's input requirements all red
borders will disappear.
A pointer with a box and flash drum attached appears. Move this to the
main window and click again when the unit is in position.
In this manner, select and position the units as shown in the diagram
using these PFD buttons:
➤ Double-click on each stream and unit and change its name to that
shown on the diagram above. Do not change any other data in the
dialog box.
➤ Click OK to exit the dialog box. Note that spaces are not allowed in
unit or stream names.
The completed PFD should now look like Figure 5 below.
Figure 5:
Chiller Plant PFD in
PRO/II
After you finish building the flowsheet, the labels of all the internal
streams are black and the available ports of all the units are green. At this
point, all the unit labels have red borders and the border of the feed
stream label is also red because you must still add data. Note that the
border of Streams is black, indicating that you have entered all neces-
sary data for this function. To exit the stream connection mode, right-
click, or click on Streams so that it turns gray, indicating that the mode
is no longer active.
➤ Check each item that it matches the input data given in the tables
above.
➤ Make any necessary changes and click OK .
Notice that the border of the UOM button is now blue indicating that you
have modified the data.
Figure 6:
Component Selection
Figure 7:
Transport Properties
➤ Click OK in each of the three dialog boxes to save the entered data.
, Note: As you return to the PFD after each unit operation, its unit
identifier has changed from red (data missing) to black (data
satisfied).
, Note: By default, the horizontal stream is the hot side and the vertical
stream is the cold side. Here this means that the utility stream
is the cold side. You could use this dialog box to change the
stream allocations if the reverse were true.
Figure 9:
Cold Side Utility
Stream
➤ Close the Heat Exchanger dialog boxes and return to the PFD.
➤ Enter pressure and efficiency data for Pump P-1 and Compressor C-
1.
When you have entered all the data, there should not be any red on the
flowsheet. All stream and unit labels should have black borders. If any
of the unit or stream labels has a red border, click on it and check the
data. Save the simulation before continuing.
Feeds 3
Products 17
Work, HP 2.44
Head, FT 1293.94
Efficiency 65.00 65.00
Metric UOM
Pump 'P-1'
Feeds 3
Products 17
Work, KW 1.62
Head, M 395.50
Efficiency 65.00 65.00
# TASK Continue to build the chiller plant. Since you already entered the units of
measure, components, and feed stream data in Part 1 you won't need to
add these data again. Figure 11 shows the process schematic for this
part. The portion of the flowsheet that you entered in Part 1 is gray, and
the new units and streams you will now add are black.
Figure 11: 10
6
Schematic of
Compressor
Chiller Plant - C-1 D-2
D-3
2 4 5 8 9 Cold
Part 2 Knockout Separator
Drum HX-2 HX-3
HX-1 Gas/Gas
Cooler Propane
Inlet D-1 Exchanger Chiller
Gas Scrubber 7 12
11 V-1 13
Valve
4 17
P-1
Pump
The new equipment data and operating conditions are provided below.
✔ SOLUTION Use the previous example, CHILL1.PRZ as the basis for this example.
➤ Select File/Save As... from the menu bar and save the example as
CHILL2.PRZ.
Figure 12:
Chiller Plant in PRO/II
At this point there should not be any red borders on the flowsheet. All
stream and unit labels should have black borders. If any of the unit or
stream labels has a red border, double-click on it and check the data.
Metric UOM
OPERATING CONDITIONS
, Note: The utility calculations for the heat exchanger are performed
during output generation and cannot be viewed by clicking the
View Results button.
# TASK Continue to build the chiller plant. Suppose that the refrigerant for the
chiller HX-3 consists of a mixture rather than pure propane. You want to
determine the flowrate of that mixture required to maintain a process
stream (hotside) outlet temperature of -15ºF (-26ºC). Instead of using the
HEAT EXCHANGER refrigerant utility in PRO/II, which is designed for use
with single components, you now must introduce a refrigerant stream,
with the correct composition, and use a CONTROLLER to determine the
refrigerant flowrate.
The diagram shows part of the process schematic. The portion of the
flowsheet that you entered previously is gray, and the new units and
streams you will now add are black.
Figure 14: 6 10
Schematic of Chiller Compressor 51
Plant - Part 3 C-1 D-3
D-2 Cold
2 4 5 Knockout 8 9
Separator
Drum HX-2
HX-1 Gas/Gas HX-3
Inlet D-1 Cooler Exchanger Propane
Gas Scrubber 7 12 Chiller
11 V-1 13
50 Valve
3 17
P-1 CN1
Pump
✔ SOLUTION Use the previous example, CHILL2.PRZ, as the basis for this example and
save the example as CHILL3.PRZ.
Figure 15:
Chiller Plant PFD in
PRO/II
➤ Use the propane refrigerant rate from the previous example as the
initial flowrate for this stream.
Figure 16:
Completed Feedback
Controller Dialog Box
# TASK Continue to build the chiller plant. Add a COLUMN and a COMPRESSOR.
Use MIXER units to combine the plant liquid streams into one product
and the plant vapor streams into another product.
Figure 18:
Schematic of Chiller Pipeline
Gas
14 16
Plant - C-2 M-2
18
Part 4 D-2
Knockout 6 10
13 Compressor Mixer
Drum
Compressor D-3
C-1 Cold
2 4 5 8 9 Separator T-1
Stabilizer
HX-2 HX-3
Inlet HX-1 Gas/Gas Propane
Gas Cooler Exchanger Chiller 11
1 D-1 V-1
Scrubber 12
Valve
15 M-1
Mixer
3 17 19
Natural Gas
P-1 Liquids (NGL)
Pump
7
✔ SOLUTION Use the previous example, CHILL3.PRZ, as the basis for this example and
save the example as CHILL4.PRZ.
Figure 19:
Complete Chiller Plant
in PRO/II
Estimate the rate of the overhead product. You can make a good guess
from the results of the previous run. You could also use the Define pro-
cedure, assuming that the overhead stream consists of all the Nitrogen
through Methane from the column feed (Figure 20).
Figure 20:
Overhead Flowrate
Definition
Figure 21:
Bottoms True Vapor
Pressure
Specification
# TASK Suppose that a nearby refinery has been shut down and some columns
are available at bargain prices. Your company is exploring a joint ven-
ture with the Royal Gas Company to build a fractionation plant as shown
in Figure 23 to process the liquids from your chiller plant and their plant.
Figure 23: C2
21
Light Ends
Fractionation Plant
24 27
C3 C4’s
19 20 T-2S T-3S T-4S
Deethanizer Depropanizer Debutanizer
V-2
23 26
60
Royal
Liquids Gasoline
22 25
28
V-3 V-4
You have been asked to provide a quick design for such a plant. To save
time, you want to perform a shortcut analysis. SHORTCUT COLUMNs are
unsupported in PROVISION. However, using keyword input files you
can run the problem in either Run Batch or Run-Only mode. Use the
keyword input file, CHILL5.INP, found in the TRAINING directory, to
determine the number of theoretical trays, feed locations, and approxi-
mate reflux ratios for the three distillation columns.
✔ SOLUTION
Step 1 Import the Keyword Input File
➤ Select Import... from the File menu. Import the keyword input file
CHILL5.INP from the TRAINING directory.
Read the results from the output (Figure 24). For example, for the deeth-
anizer column, the recommended number of theoretical trays is 24,
which is twice the calculated Fenske minimum trays. For a 24 tray col-
umn, the feed should be introduced at tray 13.
Figure 24:
Shortcut Column UNIT 2, 'T-2S', 'DEETHANIZER'
Summaries SUMMARY OF UNDERWOOD CALCULATIONS
# TASK Use the shortcut results from Part 5 to set up a rigorous simulation of the
light ends fractionation plant shown in Figure 25. Begin with the flow-
sheet built in Part 4, or create a new flowsheet and provide the feed data
given below. Size each column for valve trays through the Tray Hydrau-
lics dialog box. Use the I/O distillation algorithm for the calculations and
choose Conventional as the initial estimate method. Vary the column
duties to meet the specifications given in Table 10.
Figure 25:
C2
Light Ends 21
Fractionation Plant
24 27
C3 C4’s
19 20 T-2S T-3S T-4S
Deethanizer Depropanizer Debutanizer
V-2
23 26
60
Royal
Liquids Gasoline
22 25
28
V-3 V-4
✔ SOLUTION Use the previous example, CHILL4.PRZ, as the basis for this example and
save the example as CHILL6.PRZ. Build the flowsheet continually and
run the simulation.
Compare the duties and overhead product rates determined in this exer-
cise with those from the shortcut calculation done in Part 5. The over-
head rate estimates from the shortcut calculation were quite good, but
the duty estimates were more approximate.
Figure 26:
Mole Fractions of
Ethane and Propane
in Column T-2
Figure 27:
Separation Factor in
Column T-3
# TASK Solve the flowsheet, shown in Figure 29, for all process conditions and
flowrates. Solve it first with a recycle loop and then break the loop using
a reference stream (Figure 30). Compare the calculation histories in both
runs. Determine the number of iterations it takes to run with the recycle
in place and how many it takes to run with the broken recycle.
Figure 29:
Gas Cooling
Flowsheet with
Recycle
Figure 30:
Gas Cooling
Flowsheet with
Broken Recycle
✔ SOLUTION The original flowsheet requires three iterations to converge and the bro-
ken-recycle version converges without iterating. Figure 31 contains a
portion of the output for the broken-recycle flowsheet.
Figure 31:
Stream Molar English UOM
Component Rates
STREAM ID 5 5X 6 7
NAME
PHASE MIXED MIXED VAPOR LIQUID
Metric UOM
STREAM ID 5 5X 6 7
NAME
PHASE MIXED MIXED VAPOR LIQUID
FLUID RATES, KG-MOL/HR
1 CO2 6.3245 6.3245 5.6107 0.7138
2 METHANE 390.9360 390.9360 369.5078 21.4282
3 ETHANE 35.1715 35.1715 28.6959 6.4756
4 PROPANE 11.1475 11.1475 7.2080 3.9395
5 IBUTANE 1.6380 1.6380 0.8018 0.8362
6 BUTANE 2.5480 2.5480 1.0770 1.4710
7 IPENTANE 0.9555 0.9555 0.2659 0.6896
8 PENTANE 1.1830 1.1830 0.2942 0.8888
9 HEXANE 5.0960 5.0960 0.6025 4.4935
32 Gas Cooling
MEK/Toluene Preheat
# TASK The process shown in Figure 32 preheats a stream that is fed to a distilla-
tion column. The flash drum vaporizes 40 mole percent of the feed, and
the heat exchanger further heats the flash drum liquid. Both the flash
drum and heat exchanger have 1 psi (6.9 kPa) pressure drops. A total of
1.0 MM Btu/hr (1.05 MM kJ/hr) is available to the process.
Find the liquid fraction and temperature of the PROD stream and the two
duties.
Table 13 shows the feed composition and condition. Use the NRTL ther-
modynamic system, but replace its default vapor enthalpy and vapor
density methods with SRKM.
Figure 32:
Preheat Process Vapor
Feed
FD
Prod
HX
34 MEK/Toluene Preheat
Hydrocarbon-Water Phase Separation
# TASK This exercise illustrates the differences between a rigorous VLLE flash
and a VLE flash with the water decant option. Simulate a three phase
separator as an isothermal flash at 300°F and 300 psia for the crude
stream given in the tables below. Use VLLE SRK Kabadi-Danner
(SRKKD) thermodynamics and VLE SRK thermodynamics with the
water decant option, along with the three different water solubility corre-
lations. Print the K-values for one of the VLE flash units and for the
VLLE flash.
Figure 33 shows the Flash Drum Summary, which only reports the water
decant flashes. There are three FLASH DRUMs, one for each of the solubil-
ity correlations: SIMSCI, KEROSENE, and EOS. PRO/II reports the total
liquid mole fraction and breaks down the liquid phases into the liquid
hydrocarbon phase and the free water phase. Note that PRO/II provides
this type of report only when you invoke the water decant option for a
hydrocarbon-water system. You can observe that the three solubility
methods produce very similar results for this problem.
The K-value printout for the first FLASH unit (DCNT-SIMSCI) follows the
standard Flash Drum Summary. This report gives the vapor and liquid
mole fractions and the K-value for each component, providing you with
information about the relative volatilities of the components of the prod-
ucts. If you choose to lump the vapor and liquid phases into one product,
you can obtain the relative compositions of the different phases in the
product.
Figure 33:
Flash Drum Summary FLASH ID DCNT-SIMSCI DECANT-KERO DECANT-EOS
with K-Value Report NAME
PRODUCTS VAPOR 1V 2V 3V
LIQUID 1L 2L 3L
WATER 1W 2W 3W
Figure 34:
Three-Phase Flash FLASH ID RIG-SRKKD
NAME
Drum Summary with
K-Value Report FEEDS CRUDE_R3
PRODUCTS VAPOR 4V
LIQUID 1 4L
LIQUID 2 4W
TEMPERATURE, F 300.000
PRESSURE, PSIA 300.000
PRESSURE DROP, PSI 700.000
MOLE FRAC VAPOR 0.34778
MOLE FRAC TOTAL LIQUID 0.65222
MOLE FRAC LIQUID 1 0.36325
MOLE FRAC LIQUID 2 0.28897
DUTY, MM BTU/HR 61.47417
FLASH TYPE ISOTHERMAL
# TASK Enter the assay data for the naphtha feed described below and generate a
set of petroleum components. Also create a plot of the calculated TBP
curve and component cuts. The light ends make up 5% of the total liquid
volume. Use SRK thermodynamics with API liquid density to model the
system.
✔ SOLUTION Build the flowsheet and enter the UOM, components, and thermody-
namic data, as usual.
Figure 35:
Assay Definition
Figure 36:
Assay Lightends Data
➤ Back in the Stream Data dialog box, enter Temperature and Pres-
sure values. Click OK to return to the flowsheet.
You will be asked whether you want to generate the pseudocomponents
now or at a later time. Answer No.
Figure 38:
Assay Processing
Plot
# TASK In this exercise you will use the assay stream you created in NAPHTH1
and manipulate it using two flash drums. The first flash drum predicts
the temperature at which 80% of the feed is recovered in the vapor. The
second flash drum predicts the quantity of liquid that drops out when a
temperature drop is imposed on that vapor.
✔ SOLUTION Open the simulation named NAPHTH1.PRZ and save it under a new
name, NAPHTH2.PRZ.
Figure 39:
PRO/II Flowsheet
Figure 40:
Short Property Table
# TASK Using the assay stream and flashes from NAPHTH2, you will now exam-
ine the effects of varying the vapor/liquid split in the first flash drum on
the duty of the second flash drum. Run cases at vapor fractions from
80% (the base case) to 40% in 10% increments.
✔ SOLUTION Open the simulation named NAPHTH2.PRZ and save it under a new
name, NAPHTH3.PRZ.
Figure 41:
Completed Case
Study Parameters
Dialog Box
Figure 42:
Case Study Results in
a Tabular Format
➤ Select Output/Case Study from the menu bar and then Plots from the
submenu to open the Case Study Plots dialog box.
➤ Enter a plot name in the first row and click Data... .
➤ Highlight F1SPLIT from the Available Variables list and X-Axis
from the other list.
➤ Enter a label in the Label/Legend field, if desired.
➤ Click Update , followed by Add -> .
➤ Highlight F2DUTY from the Available Variables list and Y-Axis#1
in the other list.
➤ Enter a label in the Label/Legend field, if desired.
➤ Click Update , followed by Add -> .
Figure 44:
F2 Duty as a Function
of F2 Liquid/Vapor
Ratio
# TASK A vapor stream normally condenses when you increase pressure and/or
decrease temperature. Under certain conditions, however, it is possible
for a vapor stream to undergo partial condensation as its pressure is
reduced (at a fixed temperature) or as its temperature is increased (at a
fixed pressure). This counter-intuitive phenomenon, called retrograde
condensation, is particularly important in the production of petroleum
from deep gas wells.
Figure 45:
Petroleum Recovery
from a Deep Gas Well
Gas
T = 150ºF
P = 2500 psia
48 Phase Envelope
You want to examine the characteristics of the gas in the receiving ves-
sel so that you can make a decision about the pressure required to maxi-
mize the amount of liquid condensed.
Generate a phase envelope plot for the feed stream. Also generate lines
of constant liquid mole fraction at 5%, 10% and 15%.
In the Phase Envelope dialog box, select the feed stream in the first row
of the grid. In the second row, select the feed stream and enter a Liquid
Mole Fraction of 0.05. In the same way, enter the other liquid mole frac-
tions in rows three and four. Click on Plot Options , change Individual
to Comparison for each curve, and enter 1 through 5 for Plot Symbols.
Plot five graphs: one for each of the plots and one showing all the plots
together. Run the simulation. Select Output/Generate Plot... from the
menu bar and plot the phase envelope.
Figure 46:
Phase Envelope, PH1
Valve Cooler
6
5
Vaporizor
50 Compressor Curves
✔ SOLUTION Place the minimum number of units on the PFD.
Hint: You can reduce the number of units by combining the cooler
and separator. You cannot feed streams 4 and 6 directly into
the compressor because the surge mixer has an outlet pressure
specification.
Name the units and streams so that the flowsheet looks like Figure 48.
Figure 48:
8
Modified Flowsheet
4
7 C1
1 2
M1
V1
H2
6
5
H3
In the Compressor dialog box, select Actual Head Curve and click
Enter Curve... . Enter the table of Volumetric Flowrate against Head
and click OK . Select Single Adiabatic Efficiency Curve from the Effi-
ciency or Temperature Specification list and enter the efficiency data.
Figure 49:
Compressor C1 English Units
Results
User Input Calculated
---------- ----------
Outlet Temperature, F 182.39
Outlet Pressure, PSIA 321.54
Pressure Increase, PSI 256.54
Actual Work, HP 13099.77
Head, FT 35525.17
Adiabatic Efficiency 71.89
Polytropic Efficiency 75.26
Metric Units
Figure 50:
Debutanizer Process 1
OVHD
Naphtha
338ºF
15
270 psia
LPG
32
BTMS
All the data required for this simulation are summarized in the tables
below.
52 Debutanizer
Table 24: Naphtha Feed Data
ASTM D86 Data
Liquid Volume % Temperature
(°F) (°C)
0 104 40
5 144 62
10 158 70
30 196 91
50 228 109
70 248 120
90 284 140
95 311 155
100 329 165
Average Specific Gravity = 0.75
Lightends Data
Component Liquid Volume %
C3 0.07
IC4 0.21
NC4 0.42
IC5 3.24
NC5 6.06
10% liquid volume of assay
Temperature 104°F 40°C
Pressure 270 psia 1860 kPa
Flowrate 3200 ft3/hr 90 m3/hr
The VLE and enthalpies of natural gas systems are generally modeled
well by equations of state such as Peng-Robinson or Soave-Redlich-
Kwong. However, these methods are less good at predicting liquid den-
sity so a different method, such as COSTALD or API, should be used.
Hint: Use the Define feature to set the overhead rate from the col-
umn as all the C4 and lighter components in the column feed.
✔ SOLUTION As the column has converged with the required recovery specifications,
it can clearly cope with the new service.
54 Debutanizer
Rigorous Heat Exchanger
Part A Determine the fouling of the heat exchanger under present operating
conditions.
Part B Using the fouling results from Part A, rate the existing fouled exchanger
for the increased throughput.
Figure 51:
Schematic of a
Rigorous Heat BT1
Exchanger
FD1
EA1
FD2
BT2
Build the flowsheet and enter the UOM, components, and thermody-
namic data, as usual. Enter stream data.
➤ Click each button and enter the appropriate data. Fields outlined in
green means that, if you do not enter a value, PRO/II calculates one.
➤ In the Film Coefficients dialog box, set the tubing fouling resistance
to 0.
You want PRO/II to calculate an overall fouling resistance to meet the
specification. You could supply values for both the tubeside and a shell-
side fouling resistances and have PRO/II adjust them to meet the perfor-
mance specification. However, for simplicity, it is easier to set the
tubeside fouling resistance to zero and allow PRO/II to report the calcu-
lated overall resistance as the required shellside resistance.
Part B Using the fouling results you have just calculated, rate the existing
fouled exchanger for the increased throughput.
All the data required for this simulation are summarized in the tables
below.
✔ SOLUTION
Part A The actual work is 43808 HP (32456 kW) for C-1 and 42804 HP (30893
kW) for C-2.
The aftercooler duties are 80.1x106 Btu/hr (82.9x106 kJ/hr) for HX-1
and 153.9x106 Btu/hr (152.6x106 kJ/hr) for HX-2.
Figure 55:
Stream Summary for English Units
Streams S3 and S10
STREAM 'S3' STREAM 'S10'
TOTAL TOTAL
---------- ----------
RATE, LB-MOL/HR 15629.9004 RATE, LB-MOL/HR 80988.7220
TEMPERATURE, F 98.66 TEMPERATURE, F 135.00
PRESSURE, PSIA 70.00 PRESSURE, PSIA 375.00
Metric Units
STREAM 'S3' STREAM 'S10'
TOTAL TOTAL
---------- ----------
RATE, KG-MOL/HR 6929.9789 RATE, KG-MOL/HR 36995.6775
TEMPERATURE, C 40.00 TEMPERATURE, C 60.00
PRESSURE, BAR 5.00 PRESSURE, BAR 25.65
Part B 1. The heat exchangers are not required. You could omit these and use
the aftercooler option on the compressor. All the information
requested is still available.
2. If you only need the product stream information, compressor C-2
(and its aftercooler) may be removed. Set the flash D-3 to the condi-
tions leaving the aftercooler and the products will be identical. You
cannot remove C-1 as the temperature of D-2 is unknown. Liquid
from D-3 is flashed into the drum and reduces the temperature below
the aftercooler exit temperature. However, to simplify the flowsheet,
C-1 and its aftercooler could be replaced by a flash drum.
Figure 56:
Propylene
Chlorination Reactor
PRPL
PROD
CL2
CST1
The flowsheet, stream and process data are shown below. Use Soave-
Redlich-Kwong thermodynamics with Costald liquid densities.
12 – 27009.6
Cl 2 + C 3 H 6 → C 3 H 5 Cl + HCl Rate = 3.36 × 10 e ⎛ ----------------------⎞ ⋅ ( C Cl ) ( C C H )
⎝ RT ⎠ 2 3 6
8 – 6811.98
Cl 2 + C 3 H 6 → C 3 H 6 Cl 2 Rate = 1.91 × 10 e ⎛ ----------------------⎞ ⋅ ( C Cl ) ( C C H )
⎝ RT ⎠ 2 3 6
15 – 42300
Cl 2 + C 3 H 5 Cl → C 3 H 4 Cl 2 + HCl Rate = 7.51 × 10 e ⎛ ------------------⎞ ⋅ ( C Cl ) ( C C H Cl )
⎝ RT ⎠ 2 3 5
11 – 15005.4
Cl 2 + C 3 H 6 → C 3 H 5 Cl + HCl Rate = 2.1 × 10 e ⎛⎝ ----------------------⎞⎠ ⋅ ( C Cl ) ( C C H )
RT 2 3 6
7 – 3784.45
Cl 2 + C 3 H 6 → C 3 H 6 Cl 2 Rate = 1.19 × 10 e ⎛ ----------------------⎞ ⋅ ( C Cl ) ( C C H )
⎝ RT ⎠ 2 3 6
14 – 23500.1
Cl 2 + C 3 H 5 Cl → C 3 H 4 Cl 2 + HCl Rate = 4.69 × 10 e ⎛ ----------------------⎞ ⋅ ( C Cl ) ( C C H Cl )
⎝ RT ⎠ 2 3 5
✔ SOLUTION Build the flowsheet and enter the UOM, components, and thermody-
namic data, as usual.
Figure 57:
Stoichiometry for the
First Reaction
The equations conform to the default Power Law Kinetic Rate Calcula-
tion Method so you do not need to change this, just enter the data.
Figure 58:
Reaction Definitions
Figure 59:
Kinetic Data for the
First Reaction
Figure 60:
(a) Reactor Volume
(b) Product Estimates
➤ Save the data and return to the main CST Reactor dialog box.
➤ Click Pressure... and enter the Outlet Pressure.
Figure 61:
Reactor
Specifications
INLET OUTLET
----------- -----------
FEED PRPL
CL2
VAPOR PRODUCT PROD
TEMPERATURE, F 52.41 800.00
PRESSURE, PSIA 100.0000 70.0000
REACTION DATA
Metric UOM
OPERATING CONDITIONS
INLET OUTLET
----------- -----------
FEED PRPL
CL2
VAPOR PRODUCT PROD
TEMPERATURE, C 11.24 425.00
PRESSURE, KG/CM2 7.0000 5.0000
REACTION DATA
Phase Envelope
TITLE
SEQUENCE PROCESS
COMPONENT DATA
LIBID 1,C1/2,C2/3,C3/4,IC4/5,NC4/6,IC5
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=150, PRESSURE=2500, PHASE=M, &
RATE(M)=100, COMPOSITION(M)=1,82/2,7/3,4/4,2/5,2/6,3
UNIT OPERATIONS
PHASE UID=PH1
EVAL STREAM=S1, LFRAC=0, IPLOT=OFF, CPLOT=1
EVAL STREAM=S1, LFRAC=0.05,IPLOT=OFF, CPLOT=2
EVAL STREAM=S1, LFRAC=0.1,IPLOT=OFF, CPLOT=3
EVAL STREAM=S1, LFRAC=0.15,IPLOT=OFF, CPLOT=4
EVAL STREAM=S1, LFRAC=1,IPLOT=OFF, CPLOT=5
END
Compressor Curves
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,C2/2,C3/3,IC4/4,NC4
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=15.499, PRESSURE=315, PHASE=M, &
RATE(M)=16500, COMPOSITION(M)=1,1.04/2,96.94/3,1.68/4,0.34
UNIT OPERATIONS
VALVE UID=V1
FEED S1
PRODUCT M=S2
OPERATION PRESSURE=87
HX UID=E1
HOT FEED=S2, V=S4, L=S5, DP=4.4
OPER DUTY=2
HX UID=E2
HOT FEED=S5, M=S6, DP=8.8
OPER HDTADEW=1E-15
MIXER UID=M1
FEED S4,S6
PRODUCT M=S7
OPERATION PRESSURE=65
COMPRESSOR UID=C1
FEED S7
PRODUCT V=S8
HEAD ACTUAL=900001,38000/1E6,37000/1.24E6,35299.9/ &
1.36E6,33100.1/1.43E6,27250
EFFICIENCY ADIA=900001,69/1E6,71/1.24E6,72/1.36E6,73/1.43E6,71
OPERATION CALCULATION=ASME
END
Gas Cooling
Process with Recycle Stream
TITLE
PRINT INPUT=NONE
DIMENSION SI, TEMP=C, XDENSITY=SPGR, STDTEMP=0, STDPRES=101.325
SEQUENCE PROCESS
CALCULATION RVPBASIS=APIN, TVP=37.778
COMPONENT DATA
LIBID 1,CO2/2,C1/3,C2/4,C3/5,IC4/6,NC4/7,IC5/8,NC5/9,NC6
THERMODYNAMIC DATA
METHOD SYSTEM=PR, SET=PR01
STREAM DATA
PROPERTY STREAM=1, TEMPERATURE=66, PRESSURE=24820, PHASE=M, &
RATE(M)=455, COMPOSITION(M)=1,1.39/2,85.92/3,7.73/4,2.45/ &
5,0.36/6,0.56/7,0.21/8,0.26/9,1.12
UNIT OPERATIONS
VALVE UID=V1
FEED 1
PRODUCT M=2
OPERATION DP=11030
HX UID=E1
HOT FEED=2, M=3, DP=35
COLD FEED=6, M=8, DP=35
CONFIGURE COUNTER
OPER HICO=8
VALVE UID=V2
FEED 3
PRODUCT M=4
OPERATION DP=6205
HX UID=E2
HOT FEED=4, M=5X, DP=35
OPER HTEMP=-29
FLASH UID=F1
FEED 5X
PRODUCT V=6, L=7
ADIABATIC DP=0
END
MEK/Toluene Preheat
TITLE
DIMENSION SI, TEMP=C, XDENSITY=SPGR, STDTEMP=0, STDPRES=101.325
SEQUENCE PROCESS
CALCULATION RVPBASIS=APIN, TVP=37.778
COMPONENT DATA
LIBID 1,MEK/2,TOLUENE/3,WATER
THERMODYNAMIC DATA
METHOD SYSTEM=NRTL, ENTHALPY(V)=SRKM, DENSITY(V)=SRKM, SET=NRTL01, &
DEFAULT
STREAM DATA
PROPERTY STREAM=FEED, TEMPERATURE=88, PRESSURE=138, PHASE=M, &
RATE(M)=45, COMPOSITION(M)=1,19/2,80/3,1
UNIT OPERATIONS
FLASH UID=FD
FEED FEED
PRODUCT V=VAPOR, L=S1
TPSPEC DP=7
SPEC STREAM=VAPOR, RATE(LBM/H),TOTAL,WET, DIVIDE, REFFEED, &
RATE(LBM/H),WET, VALUE=0.4
HX UID=HX
COLD FEED=S1, L=PROD, DP=7
DEFINE DUTY(KJ/HR) AS 1.05, MINUS, FLASH=FD, DUTY(KJ/HR)
END
Compressor Curves
TITLE
DIMENSION SI, TEMP=C, XDENSITY=SPGR, STDTEMP=0, STDPRES=101.325
SEQUENCE SIMSCI
CALCULATION RVPBASIS=APIN, TVP=37.778
COMPONENT DATA
LIBID 1,C2/2,C3/3,IC4/4,NC4
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=-9.2, PRESSURE=2172, PHASE=M, &
RATE(M)=7485.01, COMPOSITION(M)=1,1.04/2,96.94/3,1.68/4,0.34
UNIT OPERATIONS
VALVE UID=V1
FEED S1
PRODUCT M=S2
OPERATION PRESSURE=600
HX UID=E1
HOT FEED=S2, L=S5, V=S4, DP=30
OPER DUTY=2.11
HX UID=E2
HOT FEED=S5, M=S6, DP=61
OPER HDTADEW=5.5556E-16
MIXER UID=M1
FEED S4,S6
PRODUCT M=S7
OPERATION PRESSURE=450
COMPRESSOR UID=C1
FEED S7
PRODUCT V=S8
HEAD ACTUAL=25485,11582/28317,11278/35113,10760/ &
38511,10089/40493,8306
EFFICIENCY ADIA=25485,69/283179,71/35113,72/38511,73/ &
40493,71
OPERATION CALCULATION=ASME
END
Debutanizer
TITLE
DIMENSION SI, TEMP=C, STDTEMP=0, STDPRES=101.325
SEQUENCE SIMSCI
CALCULATION RVPBASIS=APIN, TVP=37.778
COMPONENT DATA
LIBID 1,H2/2,H2S/3,C1/4,C2/5,C3/6,IC4/7,NC4/8,IC5/9,NC5
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=LPG, TEMPERATURE=40, PRESSURE=1860, PHASE=M, &
RATE(LV)=11.3, COMPOSITION(M)=1,0.3/2,0.2/3,0.7/4,5.5/5,28.5/ &
6,11.7/7,49/8,4.1
PROPERTY STREAM=NAPHTHA, TEMPERATURE=40, PRESSURE=1860, PHASE=M, &
RATE(LV)=90, ASSAY=LV
D86 STREAM=NAPHTHA, DATA=0,40/5,62/10,70/30,91/50,109/70,120/ &