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This guide is suitable for Aspen Plus users who want to start modeling
electrolytes. Users should be familiar with the procedures covered in Aspen
Plus Getting Started Building and Running a Process Model before starting
these examples.
Contents 3
2 MODELING A SOUR WATER STRIPPER....................................................... 30
Sour Water Stripper Flowsheet................................................................................. 31
Starting Aspen Plus ................................................................................................ 32
To Start Aspen Plus ........................................................................................... 32
To Select the Template Option ............................................................................ 32
To Specify the Application Type and Run Type for the New Run ............................... 32
Drawing the Graphical Simulation Flowsheet .............................................................. 33
Specifying Title, Stream Properties, and Global Options ............................................... 34
To Review the Report Options Specified in the Selected Template ............................. 35
To Move to the Next Required Input Sheet............................................................ 35
Specifying Components........................................................................................... 35
The Electrolyte Wizard ............................................................................................ 36
To Remove Ammonium Carbamate Formation from the Solution Chemistry ............... 37
To Remove the Salts from the Solution Chemistry.................................................. 37
Examining Generated Chemistry .............................................................................. 40
To Examine the Generated Chemistry .................................................................. 40
To View the Generated Chemistry........................................................................ 40
Entering Stream Data ............................................................................................. 43
Specifying the RadFrac Block ................................................................................... 44
To Review the Types of Specifications that You Can Make for RadFrac....................... 44
To Specify that this Column Operates Isobarically at 15 psia ................................... 46
To Define the First Design Specification ................................................................ 46
To Define Another Design Specification ................................................................ 47
To Define the First Manipulated Variable ............................................................... 48
To Define the Second Manipulated Variable ........................................................... 48
To Change the Report ........................................................................................ 49
Running the Simulation........................................................................................... 51
Examining Simulation Results .................................................................................. 52
To View RadFrac Results .................................................................................... 52
To View Design Spec Results .............................................................................. 53
To View Vary Results ......................................................................................... 53
To View Composition Profiles .............................................................................. 53
To View these Results ........................................................................................ 54
Converting to True Components ............................................................................... 56
To Tell Aspen Plus to Use the True Component Approach ........................................ 56
To Revise the RadFrac Design Specification to Apply to the Apparent Composition of NH356
Running the True Component Simulation ................................................................... 58
To View Selected Results of the True Component Simulation ................................... 58
Exiting Aspen Plus.................................................................................................. 59
Contents 4
3 CONNECTING TO THE ASPEN PLUS SIMULATION ENGINE ......................... 60
GENERAL INFORMATION............................................................................... 61
Copyright.............................................................................................................. 61
Related Documentation........................................................................................... 62
Technical Support .................................................................................................. 63
Online Technical Support Center.......................................................................... 63
Phone and E-mail .............................................................................................. 63
Contents 5
Introducing Aspen Product
You can easily model all types of electrolyte systems with Aspen Plus,
including systems with strong electrolytes, weak electrolytes, salt
precipitation, and even mixed solvents.
The two sessions in this book - Modeling Electrolyte Chemistry and Modeling a
Sour Water Stripper- introduce you to simulating electrolyte systems with
Aspen Plus by guiding you through two simulations.
Getting Started Modeling Processes with Electrolytes assumes that you have
an installed copy of the Aspen Plus software.
In this simulation mix and flash two feed streams containing aqueous
electrolytes.
You will:
• Define electrolyte components.
• Use the Electrolytes Expert System.
• Examine Chemistry data.
• View electrolytes databank parameters.
• Use the true components modeling approach.
• Allow about 45 minutes to do this simulation.
Temp = 25 C
Pres = 1 bar
10 kmol/hr H2O
1 kmol/hr HCL
Electrolyte Chemistry
4 Click OK to close the Options dialog box and apply the changes.
The process flow diagram and simulation definition for this simulation are
shown in the process diagram entitled Electrolyte Chemistry on page 2-2.
Place a Mixer block, a Flash2 block, and five material streams to create
the graphical simulation flowsheet as follows:
Specifying Components
From the Data Browser, select the Components | Specifications form. The
Components | Specifications | Selection sheet appears.
The apparent (or base) components for this simulation are H2O, HCl, and
NaOH.
4 Click to continue.
The Generated Species and Reactions dialog box appears:
Aspen Plus generates all possible ionic and salt species and reactions for
the H2O-NAOH-HCL system.
Note: Any time you know that a reaction can be neglected because
of expected process conditions, remove it from the solution
chemistry to decrease the execution time required for your
simulation.
Examining Generated
Chemistry
In the previous step, the Aspen Plus Electrolyte Expert System automatically
generated the chemistry definition for your simulation and named it GLOBAL.
The Aspen Plus reactions database contains over 600 reactions, which
cover virtually all common electrolyte applications.
2 If you had additional salt dissolution reactions you could click and to
view them, but since there is only one salt, these buttons are unavailable.
For the complete dissociation reaction of NaOH, no constants are shown.
Since this is a complete dissociation reaction, it does not require an
equilibrium constant.
If you had your own equilibrium constant coefficients, you would enter
them directly on this sheet. If you had additional reactions to include, you
would enter them on the Stoichiometry sheet and then perhaps add
equilibrium data here.
2 Click to continue.
The Binary Interaction | HENRY-1| Input sheet appears.
3 Click to continue.
The Binary Interaction | VLCLK-1 | Input sheet appears.
Use this sheet to view the Clarke density parameters retrieved by the
electrolytes expert system. If you had your own Clarke density
parameters, you would enter them on this sheet.
4 From the Data Browser, select the Properties | Parameters |
Electrolyte Pair folder.
The Electrolyte Pair sheets define the electrolyte pair parameters:
GMELCC, GMELCD, GMELCE, and GMELCN. If you had your own pair
parameters, you would enter them on these sheets.
5 Click to continue.
The Electrolyte Pair | GMELCC-1 | Input sheet appears.
6 Click to continue.
The Electrolyte Pair | GMELCD-1 | Input sheet appears.
7 Click to continue.
The Electrolyte Pair | GMELCE-1 | Input sheet appears.
8 Click to continue.
The Electrolyte Pair | GMELCN-1 | Input sheet appears.
9 Click to continue.
The Required Properties Input Complete dialog box appears:
Pressure 1 bar
You entered the flow specifications for this stream in terms of the base
components (the apparent components). Although you are using the true
component approach in this simulation, Aspen Plus can accept stream
specifications in terms of the apparent components as well as the true
components. Aspen Plus converts the apparent component flow
specifications to true component specifications.
2 Click to continue.
The Streams | NAOH | Input | Specifications sheet appears.
3 Enter the following data
Temperature 25 C
Pressure 1 Bar
4 Click to continue.
1 In the Temperature field, click , select Vapor fraction, and then enter
0.75.
2 In the Pressure field, enter 0 (indicating there is no pressure drop).
3 Click to continue.
The Blocks | MIX | Input | Flash Options sheet appears. As the
prompt says, the zero default pressure indicates a zero pressure drop,
which is correct for this simulation.
4 Click to continue.
The Required Input Complete dialog box appears informing you that all
required input is complete and asking if you want to run the simulation.
Before running the simulation, request that certain optional properties be
included in the stream report.
5 Click Cancel to close the dialog box without running the simulation.
7 Click Close.
8 Click to continue.
2 Click in the Data Browser toolbar to move to the next results sheet.
The Results Summary | Streams | Material sheet appears.
3 Review the results on this sheet.
4 Use the horizontal and vertical scrollbars to review results that are off the
screen.
Since you selected the True Component approach, results for Mass Flow
and Mass Frac are in terms of true components.
Although you specified the flow rates in terms of the apparent components
(1 kmol/hr HCl and 10 kmol/hr H2O), Aspen Plus calculated the flow rates
of the true components. In stream HCL, there is only a trace of molecular
HCL remaining. Virtually all of the HCl is dissociated into H3O+ and Cl–.
Since the HCl dissociation consumes a mole of water, the overall H2O flow
rate is reduced from 180 kg/hr (10 kmol/hr) to 162 kg/hr (9 kmol/hr).
You also specified stream NAOH in terms of apparent components
(1.1 kmol/hr NaOH and 10 kmol/hr H2O). NaOH dissociates completely
5 This simulation has other Results sheets. Click to view them, if you
choose.
In this simulation, use a distillation column to strip NH3 and H2S from a sour
water feed stream.
You will:
• Modify the generated Chemistry.
• Use the apparent component approach for electrolytes.
• Define a stream property (Property Set).
• Convert the simulation from the apparent approach to the true approach.
Allow about 45 minutes to do this simulation.
VAPOR
saturated vapor distillate
Temperature = 190 F
Pressure = 15 psi Condenser temperature = 190 F
Total flow = 10,000 lb/hr
Mass fraction H2S = 0.001
Mass fraction NH3 = 0.001
Mass fraction CO2 = 0.001
Mass fraction H2O = 0.997
Above
SOURWAT Stage 3
On Stage
STEAM 10
Pressure = 15 psi
Saturated vapor BOTTOMS
Estimated H2O
flow rate = 2,000 lb/hr
5.0 ppm NH3
4 Click OK to close the Options dialog box and apply the changes.
Note that the distillate stream is connected to the Vapor Distillate port.
Specifying Components
The Components Specifications Selection sheet appears.
The apparent (or base) components for this simulation are H2O, NH3, H2S,
and CO2. Because you chose an electrolytes Application Type, water already
appears on the sheet.
3 Click to continue.
4 The Generated Species and Reaction dialog box appears:
Note: Any time you know that a reaction can be neglected because
of expected process conditions, remove it from the solution
chemistry to decrease the execution time required for your
simulation.
14 Click to continue.
The Components | Henry Comps | Global | Selection sheet appears.
Use this sheet to see which components have been declared as Henry's
Law components by the electrolytes expert system in the Henry Comps
group it created, GLOBAL. If you had additional Henry's Law components
in your simulation (such as nitrogen and oxygen), you could add them to
the list on this sheet.
3 Click the Equilibrium Constants tab. Select the various reactions in the
Equilibrium reaction field. All six reactions have equilibrium constants
that have been retrieved from the Aspen Plus reactions database.
4 From the Data Browser, select the Properties folder and then select
Specifications.
The Properties | Specifications | Global sheet appears. The Electrolyte
Wizard has already completed this sheet:
6 Click to continue.
The Binary Interaction sheet appears for the binary parameters HENRY-
1. Use this sheet to view the Henry's Law parameters retrieved by the
electrolytes expert system. If you had your own Henry's Law parameters,
you could enter them on this sheet.
7 Click to continue.
The Binary Interaction sheet appears for the binary parameters NRTL-1.
Use this sheet to view the molecule-molecule interaction parameters
retrieved by the electrolytes expert system. If you had your own
molecule-molecule interaction parameters, you could enter them on this
sheet.
8 From the Data Browser, select the Properties folder, then select the
Parameters folder, and then select the Electrolyte Pair folder.
The Electrolyte Pair sheets define the electrolyte pair parameters:
GMELCC, GMELCD, GMELCE, and GMELCN. If you had your own pair
parameters, you could enter them on these sheets.
9 Click to continue.
The Electrolyte Pair GMELCC-1 Input sheet appears.
10 Click to continue.
The Electrolyte Pair GMELCD-1 Input sheet appears.
11 Click to continue.
The Electrolyte Pair GMELCE-1 Input sheet appears.
13 Click to continue.
The Required Properties Input Complete dialog box appears:
Pressure 15 PSI
NH3 0.001
H2S 0.001
CO2 0.001
4 Click to continue.
The Streams | STEAM | Input | Specifications sheet appears.
Pressure 15 PSI
Composition Mass-Flow
7 Click to continue.
Reboiler None
7 Click to continue.
The Blocks | B1 | Setup | Streams sheet appears. Use this sheet to
describe how the streams are connected to the RadFrac block.
8 For the SOURWAT feed stream, enter 3 in the Stage field and Above-
Stage in the Convention field.
9 For the STEAM feed stream, enter 10 in the Stage field and On-Stage in
the Convention field.
Because stream VAPOR is connected to the vapor distillate port, Aspen
Plus automatically assigns stream VAPOR as a vapor phase product from
stage 1. Similarly, Aspen Plus assigns stream BOTTOMS as a liquid phase
product from stage 10. The Streams sheet does not allow flow
specifications for distillate product or bottoms product streams.
10 Click to continue.
The Setup | Pressure sheet appears.
2 Click to continue.
The Required Input Complete dialog box appears, indicating that all
required input specifications have been entered:
6 Click to continue.
The Design Specs | 1 | Components sheet appears. Use this sheet to
specify where this specification is to be applied, and what component and
phase it applies to.
7 In the Components area, from the Available components column,
select NH3 (ammonia) and click .
7 Click to continue.
The Vary Object Manager appears.
Define two manipulated variables to meet the two design specifications. In
this simulation keep free the steam feed rate and the reflux ratio
specifications provided on the Blocks | B1 | Setup sheet. Aspen Plus
adjusts the steam feed rate and reflux ratio to achieve the NH3 bottoms
concentration specification and the condenser temperature specification.
6 Click to continue.
The Required Input Complete dialog box appears, indicating that all
required specifications are complete.
7 Click Cancel.
By default, Aspen Plus displays results only for stages that have feeds,
products, heaters, or a maximum or minimum flow, and for the stages
immediately above and below those stages. Modify the default stage
report so that results are reported for all stages.
3 When the message Results Available appears in the status bar, click
to view the results of your run.
Consider the results for Stage 1. The true composition of NH3 and NH4+
sum to 0.03147 on Stage 1. This value is slightly different from the
apparent mole fraction of NH3 reported on the Compositions sheet:
0.03138. This slight difference is caused by the solution chemistry.
In general, the total number of moles is not conserved by solution
chemistry. In this simulation, the fourth equilibrium reaction consumes 3
moles of reactants and generates two moles of products:
CO2 + 2 H 2 O ⇔ H 3 O + + HCO3−
The K-value for NH3 on stage 1 is 6.73. These results demonstrate that
when you use apparent components, Aspen Plus also reports the K-values
calculated by RadFrac (or any flash) on an apparent basis.
5 Close all open windows.
12 Click to continue.
The Properties | Prop-Sets | XNH3APP | Properties sheet appears.
Aspen Plus uses this property set to calculate the apparent mass fraction
of NH3 in the liquid phase.
13 Click Search.
14 In the Search Physical Properties dialog box, enter apparent
component mass fraction in the first field.
15 Click Search.
The system searches for valid physical properties and displays them in the
second field of the Search Physical Properties dialog box.
16 Select Apparent component mass fraction (alias WXAPP) from the search
results.
17 Click Add.
The system adds the selected physical property and displays it in the third
field of the Search Physical Properties dialog box.
18 Click OK.
19 Select the Qualifiers sheet.
All values are virtually identical. This demonstrates that the results
calculated by the true approach and the apparent approach are
equivalent, even if they are not numerically equal.
If either of the following conditions exist, you will be prompted to specify the
host computer for the Aspen Plus simulation engine after you start the Aspen
Plus User Interface:
• The simulation engine is not installed on your PC.
• The simulation engine is installed on your PC, but the Activator security
device is not connected to your PC.
In these cases, the Connect to Engine dialog box appears.
1 In the Server type field, click and select the type of host computer
for the simulation engine.
2 If you choose Local PC as the server for the simulation engine, you do not
need to enter any more information into the dialog box. Click OK to
continue.
If you choose Windows 2000 or XP server as the server for the simulation
engine, enter the following additional information:
3 In the Node name field, enter the node name of the computer on which
the Aspen Plus simulation engine will execute.
4 In the other fields, enter the following information:
5 Click OK.
When the network connection is established, the message Connection
Established appears in the message box.
If the Connection Established message does not appear, see your Aspen
Plus system administrator for more information on network protocols and
host computers for the Aspen Plus simulation engine.
This section provides Copyright details and lists any other documentation
related to this release.
Copyright
Version Number: 2004.1
April 2005
Copyright © 1981 – 2005 Aspen Technology, Inc. All rights reserved.
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General Information 61
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leaf logo, and Plantelligence are trademarks or registered trademarks of Aspen Technology, Inc., Cambridge,
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All other brand and product names are trademarks or registered trademarks of their respective
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This document is intended as a guide to using AspenTech's software. This documentation
contains AspenTech proprietary and confidential information and may not be disclosed, used, or
copied without the prior consent of AspenTech or as set forth in the applicable license.
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Related Documentation
Title Content
Aspen Plus Getting Started Building and Tutorials covering basic use of Aspen
Running a Process Model Plus. A prerequisite for the other
Getting Started guides
Aspen Plus Getting Started Modeling Processes Tutorials covering the Aspen Plus
with Solids features designed to handle solids
Aspen Plus Getting Started Modeling Petroleum Tutorials covering the Aspen Plus
Processes features designed to handle petroleum
Aspen Plus Getting Started Using Equation- Tutorials covering the use of equation-
Oriented Modeling oriented models in Aspen Plus
Aspen Plus Getting Started Customizing Unit Tutorials covering the development of
Operation Models custom unit operation models in
Aspen Plus
Aspen Engineering Suite Installation Manual Instructions for installing Aspen Plus
and other Aspen Engineering Suite
products
Aspen Plus User Guide Procedures for using Aspen Plus
General Information 62
Technical Support
Online Technical Support Center
AspenTech customers with a valid license and software maintenance
agreement can register to access the Online Technical Support Center at:
http://support.aspentech.com
You use the Online Technical Support Center to:
• Access current product documentation.
• Search for technical tips, solutions, and frequently asked questions
(FAQs).
• Search for and download application examples.
• Search for and download service packs and product updates.
• Submit and track technical issues.
• Search for and review known limitations.
• Send suggestions.
Registered users can also subscribe to our Technical Support
e-Bulletins. These e-Bulletins proactively alert you to important technical
support information such as:
• Technical advisories.
• Product updates.
• Service Pack announcements.
• Product release announcements.
General Information 63