Aspen Engineering Suite 2004.

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Aspen Plus 2004.1
Getting Started Modeling Processes with Electrolytes

Who Should Read this Guide

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.

Who Should Read this Guide

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Contents
INTRODUCING ASPEN PRODUCT ..................................................................... 6
Why Use Electrolyte Simulation? ................................................................................ 6 What is an Aspen Plus Electrolyte Model?..................................................................... 6 Sessions in this Book ................................................................................................ 7 Using Backup Files ................................................................................................... 8

1 MODELING ELECTROLYTE CHEMISTRY ........................................................ 9
Electrolyte Chemistry Flowsheet ............................................................................... 10 Starting Aspen Plus ................................................................................................ 10 To Start Aspen Plus ........................................................................................... 10 To Select the Template Option ............................................................................ 10 To Specify the Application Type and Run Type for the New Run ............................... 11 Drawing the Graphical Simulation Flowsheet .............................................................. 12 Specifying Title, Stream Properties, and Global Options ............................................... 13 To Specify Flows on a Mole Basis for this Simulation ............................................... 14 Reviewing Report Options................................................................................... 14 Specifying Components........................................................................................... 14 To Rename H2O to Water................................................................................... 15 The Electrolyte Wizard ............................................................................................ 15 To Remove Salts from the Solution Chemistry ....................................................... 17 Examining Generated Chemistry .............................................................................. 19 To Examine the Generated Chemistry................................................................... 19 To View a Particular Reaction .............................................................................. 20 To View the Equilibrium Constants for the Salt Reactions......................................... 21 Selecting Electrolyte Property Models ........................................................................ 22 Entering Stream Data ............................................................................................. 24 Specifying the Flash Block ....................................................................................... 25 Specifying Additional Stream Properties .................................................................... 25 To Specify Additional Properties........................................................................... 25 Running the Simulation........................................................................................... 26 Examining Simulation Results .................................................................................. 27 Exiting Aspen Plus.................................................................................................. 28

Contents

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.......................................... 35 Specifying Components..........................................................................................2 MODELING A SOUR WATER STRIPPER........ 46 To Define Another Design Specification ........ Stream Properties............................................................................. 56 To Revise the RadFrac Design Specification to Apply to the Apparent Composition of NH356 Running the True Component Simulation ..................................................................................................... 32 To Select the Template Option ............................... 51 Examining Simulation Results ..... 43 Specifying the RadFrac Block ........................................................................................... 52 To View Design Spec Results .................................. 44 To Specify that this Column Operates Isobarically at 15 psia ....................................... 53 To View these Results ........................................................................ 58 Exiting Aspen Plus...... 30 Sour Water Stripper Flowsheet............................................................................................................ 48 To Change the Report ........................................................ 33 Specifying Title............................................................................................................................................. 53 To View Composition Profiles ........ and Global Options ....... 52 To View RadFrac Results ......................................................................................................................... 37 To Remove the Salts from the Solution Chemistry........ 46 To Define the First Design Specification ................................. 47 To Define the First Manipulated Variable ................................. 37 Examining Generated Chemistry ............................. 31 Starting Aspen Plus ........................................................................................................................ 32 To Start Aspen Plus ......................................................... 40 To Examine the Generated Chemistry .............................................................. 34 To Review the Report Options Specified in the Selected Template ................................................................. 32 To Specify the Application Type and Run Type for the New Run ... 53 To View Vary Results ....................................................................................................................................................... 44 To Review the Types of Specifications that You Can Make for RadFrac................................................................................................................ 54 Converting to True Components ...................................... 59 Contents 4 . 35 The Electrolyte Wizard ..................... 56 To Tell Aspen Plus to Use the True Component Approach ................................................................ 49 Running the Simulation....................................................................................................................... 40 To View the Generated Chemistry....................................................................................................................... 58 To View Selected Results of the True Component Simulation ..... 48 To Define the Second Manipulated Variable ......................... 32 Drawing the Graphical Simulation Flowsheet .................................................................................................................. 36 To Remove Ammonium Carbamate Formation from the Solution Chemistry .............................................. 40 Entering Stream Data ................................................................ 35 To Move to the Next Required Input Sheet..................................................................................................................................................................................................................................................

.................................................................................................................... 61 Related Documentation.............................................. 61 Copyright.................................... 60 GENERAL INFORMATION..............................................................................................3 CONNECTING TO THE ASPEN PLUS SIMULATION ENGINE ...................................................................................................................................................................................... 63 Contents 5 ............ 63 Phone and E-mail ......................................... 62 Technical Support ............ 63 Online Technical Support Center.................................

DEA. an electrolyte system is defined as one in which some of the molecular species dissociate partially or completely into ions in a liquid solvent. CO2. The two sessions in this book . H2SO4. These dissociation and precipitation reactions occur fast enough that the reactions can be considered to be at chemical equilibrium. Why Use Electrolyte Simulation? A rigorous treatment of electrolytes is needed to model many industrial systems. Water containing dissolved H2S. and even mixed solvents. KOH. weak electrolytes. NaOH. HF. solution chemistry is often referred to simply as Chemistry. and others. you can model: Sour water solutions. HCN.Introducing Aspen Product You can easily model all types of electrolyte systems with Aspen Plus. Na2SO4. HCl.Modeling Electrolyte Chemistry and Modeling a Sour Water Stripper. The liquid phase equilibrium reactions that describe this behavior are referred to as the solution chemistry. salt precipitation. or MDEA for the removal of H2S and CO2 Aqueous acids or bases. KCl. CaCO3 in solution. In Aspen Plus. Getting Started Modeling Processes with Electrolytes assumes that you have an installed copy of the Aspen Plus software. Water containing DGA. With the Aspen Plus electrolyte capabilities. H3PO4. in aqueous solution. Introducing Aspen Product 6 . and/or some of the molecular species precipitate as salts. sometimes with additional solvents Salt solutions. NaCl.introduce you to simulating electrolyte systems with Aspen Plus by guiding you through two simulations. CaSO4. including systems with strong electrolytes. HBr. NH3. sometimes with additional solvents Aqueous amines for gas sweetening. HNO3. sometimes with participation What is an Aspen Plus Electrolyte Model? In Aspen Plus. MEA.

The presence of ions in the liquid phase causes highly nonideal thermodynamic behavior. View electrolyte databank parameters. Convert from apparent component approach to true component approach. Examine Chemistry data. Introducing Aspen Product 7 . chemical reactions generally occur only in reactors. 2 Modeling a Sour Water Stripper Modify the generated Chemistry. Use automatic chemistry generation. Use the true component modeling approach. all unit operation models can handle electrolyte reactions. For nonelectrolyte systems. In Aspen Plus. Aspen Plus provides specialized thermodynamic models and built-in data to represent the nonideal behavior of liquid phase components in order to get accurate results. Sessions in this Book The two sessions in the book illustrate the following concepts: • Types of electrolyte components − Solvents − Solutes − Ions − Salts Types of reactions in electrolyte solution chemistry − Complete dissociation − Partial dissociation (equilibrium reaction) − Salt precipitation (equilibrium reaction) Automatic Chemistry generation Recommended physical property methods for electrolytes Methods for calculating and reporting electrolyte systems − True component approach − Apparent component approach Use of stream properties (Property Sets) for electrolytes Follow the steps in this chapter 1 Modeling Electrolyte Chemistry • • • • • To learn how to Define electrolyte components. Solution chemistry also impacts physical property calculations and phase equilibrium calculations. Use the apparent component approach for electrolytes.Solution chemistry has a major impact on the simulation of electrolyte systems.

Introducing Aspen Product 8 . because Chapter 2 assumes you are familiar with the concepts presented in Chapter 1.Using Backup Files We recommend that you perform all sessions sequentially. Aspen Plus provides backup files containing all problem specifications and results for each tutorial session. You can use the backup files to check your results.

You will: • • • • • • Define electrolyte components. Examine Chemistry data. View electrolytes databank parameters. Allow about 45 minutes to do this simulation. 1 Modeling Electrolyte Chemistry 9 .1 Modeling Electrolyte Chemistry In this simulation mix and flash two feed streams containing aqueous electrolytes. Use the Electrolytes Expert System. Use the true components modeling approach.

Electrolyte Chemistry Flowsheet The process flow diagram and operating conditions for this simulation are shown in the process diagram below: Electrolyte Chemistry. are fed to a mixer. Use the MIXER model for the mixer and the FLASH2 model for the flash.75 VAPOR Electrolyte Chemistry Starting Aspen Plus To Start Aspen Plus 1 2 From your desktop. use an Aspen Plus template.1 kmol /hr NAOH MIX MIXER Isobaric Adiabatic LIQUID MIXED FLASH FLASH2 Isobaric Molar vapor fraction = 0. Aspen Plus uses the Application Type you choose to automatically set various defaults appropriate to your application. The New dialog box appears. select Start and then select Programs. Aspen Plus displays a dialog box whenever you must enter information or make a selection before proceeding. one containing water and HCl. 1 Modeling Electrolyte Chemistry 10 . Two feed streams. HCL Temp = 25 C Pres = 1 bar 10 kmol/hr H2O 1 kmol/hr HCL NAOH Temp = 25 C Pres = 1 bar 10 kmol/hr H2O 1. The Aspen Plus Startup dialog box appears.1 | Aspen Plus User Interface. To Select the Template Option 1 2 Select Template and click OK. Use the New dialog box to specify the Application Type and the Run Type for the new run. The mixer outlet is flashed to evaporate water and cause NaCl to precipitate. In this simulation. the other water and NaOH. Select AspenTech | Aspen Engineering Suite | Aspen Plus 2004.

see Chapter 3. Flowsheet. The default Run Type. Note: If the Connect to Engine dialog box appears. It takes a few seconds for Aspen Plus to apply these options. 1 Modeling Electrolyte Chemistry 11 .To Specify the Application Type and Run Type for the New Run 1 2 Select the Electrolytes with Metric Units template. is appropriate for this simulation. The Aspen Plus window is now active. Click OK to apply these options.

1 2 3 From the Aspen Plus menu bar. Since you will enter your own block and stream IDs.Drawing the Graphical Simulation Flowsheet In this simulation you will begin to build the process flowsheet. Clear the Automatically assign block name with prefix and the Automatically assign stream name with prefix options. The Options dialog box appears. a Flash2 block. 4 Click OK to close the Options dialog box and apply the changes. Place a Mixer block. Select the Flowsheet tab. and five material streams to create the graphical simulation flowsheet as follows: 1 Modeling Electrolyte Chemistry 12 . turn off the default options to automatically assign block IDs and stream IDs. select Tools and then select Options. The process flow diagram and simulation definition for this simulation are shown in the process diagram entitled Electrolyte Chemistry on page 2-2.

The Flowsheet Complete dialog box appears. • In this simulation. It is always good practice to enter a title for the simulation. we actually want to use a mole-flow basis. • In the Title field. The Setup | Specifications | Global sheet displays defaults which Aspen Plus uses for other sheets. Click OK to continue. and to review the stream properties and global options that were set when you selected the Electrolytes with Metric Units template.5 6 Click to guide you to the next required input. and Global Options The Data Browser window appears. The Electrolytes with Metric Units template sets the following global defaults for electrolytes applications: • The Input data and Output results fields are set to METCBAR units (Metric units with temperature in degrees Centigrade and pressure in bars) The Flow basis field is set to Mass for all flow inputs. Use this sheet to give your simulation a title. enter Getting Started with Electrolytes . Specifying Title. 1 Modeling Electrolyte Chemistry 13 . Stream Properties. The Run Type field displays Flowsheet. which is appropriate for this simulation.Simulation 1.

To Specify Flows on a Mole Basis for this Simulation In the Flow basis field. and NaOH. mass. The apparent (or base) components for this simulation are H2O. click and select Mole. Mass. HCl. Specifying Components From the Data Browser. − You will return to this sheet and specify stream properties later in this simulation. 1 Modeling Electrolyte Chemistry 14 . and standard liquid volume flow basis. ELEC_M Stream Format: Aspen Plus formats the Stream Summary sheet for electrolytes using Metric units. and Std. The Components | Specifications | Selection sheet appears. Click the Stream tab. Based on the Electrolytes with Metric Units template. select the Components | Specifications form. select the Setup | Report Options form. Aspen Plus will not report flows on a fraction basis. liq. volume: Aspen Plus will report the component flow rates on a mole. Reviewing Report Options To review the report options specified in the selected template: 1 2 From the Data Browser menu tree. Aspen Plus displays the following defaults for calculating and reporting stream properties: − Flow Basis of Mole.

Because you chose an electrolytes template. Aspen Plus can treat acidic species as either H+ or H3O+. The Base Components and Reactions Generation Option dialog box appears. but Hydrogen ion H+ is also available. water already appears on the sheet. To Rename H2O to Water 1 2 In the first Component ID field. use of H3O+ is strongly recommended. 1 Click Elec Wizard. because the presence of 1 Modeling Electrolyte Chemistry 15 . 1 Specify the remaining components by entering HCL and NAOH on the next two rows of the Component ID column. Aspen Plus automatically fills in the rest of the data for these components. select the text H2O and replace it with WATER. However. click Rename. there is a set of options for Hydrogen ion type. click . and to generate the reactions that occur among these components in the liquid phase. Use this wizard for defining automatic chemistry generation. Press Enter. 2 From the Electrolytes Wizard dialog box. The Electrolyte Wizard Use the Electrolyte Wizard to define the ionic species and salts that can be generated from the base components entered on the Components | Specifications | Selection sheet. The default is Hydronium ion H3O+. When the Aspen Plus dialog box appears. The Electrolyte Wizard dialog box appears. In this dialog box.

H3O+ in the solution chemistry is better able to represent the phase and chemical equilibrium of almost all electrolyte systems. 4 Click to continue. 1 Modeling Electrolyte Chemistry 16 . 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. 3 to move all components in the Available components Click column to the Selected components column.

three types of reactions are generated: ionic equilibrium. In contrast. and salt precipitation. the NaOH and the NaOH*W salts are not relevant. remove it from the solution chemistry to decrease the execution time required for your simulation. NaCl precipitation/dissolution is also an equilibrium reaction.In the Reactions section in the Generated Species and Reactions dialog box. complete dissociation. Click Remove. Note: Any time you know that a reaction can be neglected because of expected process conditions. different style arrows denote the following reaction types: <===> ---> Denotes ionic equilibrium or salt precipitation Denotes complete dissociation In this example. The dissociation of water and the dissociation of HCl are equilibrium reactions. 1 Modeling Electrolyte Chemistry 17 . Remove these unnecessary species and their reactions. Aspen Plus automatically removes all reactions involving NaOH(S) and NaOH*W(S) from the Reactions list. select NaOH(S) and NaOH*W(S). NAOH dissociates completely and irreversibly into Na+ and OH–. To Remove Salts from the Solution Chemistry In this simulation. 5 6 From the Salts list. Now that you have removed these salts from the system.

9 Click to move to the next dialog box. Aspen Plus automatically retrieves all relevant physical property parameters. 10 Click Finish to close the dialog box. the true component approach defines how Aspen Plus reports the simulation results. The unit operations deal directly with the ions and salts formed by solution chemistry. You can request that composition and flows also be reported in terms of the apparent (base) components. 8 Select the True component approach option. For example. 1 Modeling Electrolyte Chemistry 18 . The Summary dialog box appears. Since all components are databank components. allowing you to choose between the true component approach and the apparent component approach. Aspen Plus has now added the generated electrolyte components. In addition. If you choose the true component approach. providing Aspen Plus electrolytes expert system information. The Simulation Approach dialog box appears. When you use the true component approach. Note that the salt NACL(S) is identified as type Solid. You will do this later in this simulation. Aspen Plus solves the equations describing solution chemistry simultaneously with the unit operation equations. not in terms of the original base components. not in terms of the NaOH base component flow. salts. Results are reported in terms of the ions. Aspen Plus will report NaOH flow in terms of NA+ flow and OH– flow. and molecular components that are actually present. On the Components | Specifications | Selection sheet. the generated chemistry for this system specifies that NaOH fully dissociates into NA+ and OH–.7 On the Generated Species and Reactions dialog box click to accept the remaining generated species and reactions.

The Components | Henry Comps | Global | Selection sheet appears. 1 Modeling Electrolyte Chemistry 19 . select Chemistry and then Global. the Aspen Plus Electrolyte Expert System automatically generated the chemistry definition for your simulation and named it GLOBAL. From the Reactions folder. you would add them to the list on this sheet. If you had additional Henry's Law components in your simulation (such as nitrogen and oxygen). Use this sheet to see which components have been declared as Henry's Law components by the Electrolytes Wizard. To Examine the Generated Chemistry 1 2 From the Data Browser. The Electrolyte Wizard has already filled in this sheet. select the Reactions folder. Examining Generated Chemistry In the previous step.11 Click to continue.

with the data for the selected reaction.The Reactions | Chemistry | Global | Stoichiometry sheet appears: To View a Particular Reaction 1 Select a Reaction and click Edit. The Equilibrium Reaction Stoichiometry dialog box appears. Select the Equilibrium Constants sheet. The first equilibrium ionic reaction shown is for water dissociation. 1 Modeling Electrolyte Chemistry 20 . 2 3 Close the dialog box and view the other reactions using the same steps.

If you had your own equilibrium constant coefficients. The second equilibrium ionic reaction is for HCL dissociation. which cover virtually all common electrolyte applications. For the complete dissociation reaction of NaOH. 1 2 In the Equilibrium constants for option. you would enter them on the Stoichiometry sheet and then perhaps add equilibrium data here. you would enter them directly on this sheet. no constants are shown. The Aspen Plus reactions database contains over 600 reactions. it does not require an equilibrium constant. If you had additional reactions to include. and to If you had additional salt dissolution reactions you could click view them. To View the Equilibrium Constants for the Salt Reactions The reaction for NACL(S) precipitation and its equilibrium constant coefficients are also available on this sheet. but since there is only one salt. 4 to the right of the Equilibrium reaction field to select another Click equilibrium reaction and view the equilibrium constants. Since this is a complete dissociation reaction.The optional equilibrium constant coefficients have been automatically retrieved from the Aspen Plus reactions database. 1 Modeling Electrolyte Chemistry 21 . Aspen Plus will calculate the chemical equilibrium from the Gibbs free energy of the participating components. Instead of calculating the equilibrium constant directly. There are no equilibrium constant coefficients for this reaction. select Salt. these buttons are unavailable.

1 From the Data Browser. The Binary Interaction | HENRY-1| Input sheet appears. Vapor phase properties are calculated from the RedlichKwong equation of state. Aspen Plus contains a databank of binary interaction parameters between water and over 600 electrolyte ion pairs. is the recommended option set for simulations with electrolytes. the model reduces to the standard NRTL model. The Properties | Specifications | Global sheet appears. Aspen Plus provides reasonable default values. In the absence of electrolytes. The Electrolyte Wizard has already completed this sheet: The Electrolyte-NRTL activity coefficient model. If the binary interaction parameters between any solvent and an electrolyte ion pair are missing from the databank. ELECNRTL calculates liquid phase properties from the Electrolyte-NRTL activity coefficient model. open the Properties folder and select Specifications. 1 Modeling Electrolyte Chemistry 22 . ELECNRTL. 2 Click to continue. and you do not provide values. ELECNRTL can represent aqueous and aqueous/organic electrolyte systems over the entire range of electrolyte concentrations with a single set of binary interaction parameters.Selecting Electrolyte Property Models The Properties | Specifications | Global sheet is used to enter the thermodynamic methods used to calculate the properties used in the simulation.

GMELCE. the only physical property specification that you must provide is the selection of a property method. If you had your own Clarke density parameters. GMELCD. If you had your own Henry's Law parameters. The Electrolyte Pair | GMELCC-1 | Input sheet appears. If you had your own pair parameters. and GMELCN. 6 Click to continue. 3 Click to continue. 7 Click to continue. you would enter them on this sheet. The Electrolyte Pair | GMELCD-1 | Input sheet appears. The Electrolyte Pair | GMELCN-1 | Input sheet appears. you would enter them on this sheet. The Electrolyte Pair sheets define the electrolyte pair parameters: GMELCC. 9 Click to continue. This dialog 1 Modeling Electrolyte Chemistry 23 . you would enter them on these sheets. select the Properties | Parameters | Electrolyte Pair folder.Use this sheet to view the Henry's Law parameters retrieved by the electrolytes expert system. The Electrolyte Pair | GMELCE-1 | Input sheet appears. The Binary Interaction | VLCLK-1 | Input sheet appears. For many simulations. Use this sheet to view the Clarke density parameters retrieved by the electrolytes expert system. 5 Click to continue. 4 From the Data Browser. 8 Click to continue. The Required Properties Input Complete dialog box appears: Correct representation of physical properties is essential to process modeling.

1 Modeling Electrolyte Chemistry 24 . 2 3 Click to continue. Aspen Plus requires two thermodynamic specifications and enough information to calculate the flow rate of each component. 10 Click OK to move to the next required input.box shows that the Aspen Plus physical property system has many optional capabilities to increase the accuracy of the physical property calculations. 1 On the Streams HCL Input Specifications sheet. you don't need to provide any optional specifications or data. Because the Aspen Plus electrolytes database has data for all components and pairs in this simulation. enter the following: Temperature Pressure WATER flow value HCL flow value 25 C 1 bar 10 kmol/hr 1 kmol/hr You entered the flow specifications for this stream in terms of the base components (the apparent components). There are no stream or block restrictions in using Aspen Plus electrolytes.1 kmol/hr 4 Click to continue. Now that the Components and Properties specifications are complete. Aspen Plus converts the apparent component flow specifications to true component specifications. Enter the following data Temperature Pressure WATER flow value NAOH flow value 25 C 1 Bar 10 kmol/hr 1. The Streams | NAOH | Input | Specifications sheet appears. Entering Stream Data The Streams | HCL | Input | Specifications sheet appears. complete the rest of the flowsheet specifications in the same way as for nonelectrolytes. You can use all Aspen Plus unit operation models in an electrolytes simulation. 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.

5 Click Cancel to close the dialog box without running the simulation. 3 Under Fraction Basis.Specifying the Flash Block The Blocks | FLASH | Input | Specifications sheet appears. Click to continue. For this simulation. click 0. On the Setup | Report Options | Stream sheet. In this simulation. 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. the only component properties that Aspen Plus calculates and reports for this simulation are component mass flows. To Specify Additional Properties 1 2 From the Data Browser. which is correct for this simulation. request that certain optional properties be included in the stream report. you specify the stream properties to be calculated and reported. The Blocks | MIX | Input | Flash Options sheet appears. you will use a builtin property set to report the bubble point of each stream. select Vapor fraction. the zero default pressure indicates a zero pressure drop. not the apparent (base) components. 4 Click to continue. For this simulation. You can also define your own property sets. select the Mass checkbox . . using Aspen Plus property sets. 1 2 3 In the Temperature field. Aspen Plus provides a number of built-in property sets based on the Application Type you selected. As the prompt says.75. request that component mass fractions be calculated and reported. You can also define additional stream properties to be calculated and reported. Since you are using the true component approach. and then enter In the Pressure field. Select the Stream tab. enter 0 (indicating there is no pressure drop). specify the pressure drop and vapor fraction. the component flows will be in terms of the components actually present at equilibrium. and a second 1 Modeling Electrolyte Chemistry 25 . select the Setup folder and then select Report Options. Specifying Additional Stream Properties By default.

Aspen Plus has a special databank it searches only when you use the ELECNRTL option set. Click to continue. as in this simulation. 1 Click OK to run the simulation. 4 5 6 Click Property Sets.built-in property set to report the mass fractions of the apparent components in each stream. As the run proceeds. select TBUBBLE and WXAPP. When values are retrieved from this special databank. Running the Simulation The Required Input Complete dialog box appears. status messages appear in the Control Panel. 7 8 Click Close. 1 Modeling Electrolyte Chemistry 26 . From the Available Property Sets column. The values of the physical property parameters in the special databank were determined to provide a better fit for electrolyte systems. The Property Sets dialog box appears. Aspen Plus generates messages in the Control Panel to inform you what properties are retrieved for which components. and are not generally applicable. The Control Panel appears. Some physical property parameters in this databank may be different from the parameters in the standard non-electrolyte databanks. to move the selected property sets to the Selected Property Click Sets column.

1 kmol/hr NaOH and 10 kmol/hr H2O). indicating that the simulation completed normally. the overall H2O flow rate is reduced from 180 kg/hr (10 kmol/hr) to 162 kg/hr (9 kmol/hr).2 Use the vertical scrollbar to the right of the Control Panel window to see the messages. Examining Simulation Results 1 From the Control Panel. click . NaOH dissociates completely 1 Modeling Electrolyte Chemistry 27 . Since the HCl dissociation consumes a mole of water. Although you specified the flow rates in terms of the apparent components (1 kmol/hr HCl and 10 kmol/hr H2O). 3 Examine the results of your run. The Results Summary | Run Status | Summary sheet appears. You also specified stream NAOH in terms of apparent components (1. In stream HCL. When the calculations finish. results for Mass Flow and Mass Frac are in terms of true components. Use the horizontal and vertical scrollbars to review results that are off the screen. there is only a trace of molecular HCL remaining. Review the results on this sheet. 2 3 4 Click in the Data Browser toolbar to move to the next results sheet. Since you selected the True Component approach. The Results Summary | Streams | Material sheet appears. Virtually all of the HCl is dissociated into H3O+ and Cl–. the message Results Available appears in the status area at the bottom right of the main window. Aspen Plus calculated the flow rates of the true components.

The heat of this reaction raises the temperature of Stream MIXED from 25 ºC (the temperature of both inlets) to 61 ºC. Because ions and precipitated salts are nonvolatile. 1 Modeling Electrolyte Chemistry 28 .into Na+ and OH–. Examine the bubble temperature for stream MIXED and stream LIQUID. – or – Click Yes if you want to save the run. Stream VAPOR only contains pure water. This demonstrates that the heat of electrolyte reactions (including the heat of mixing) is automatically included in Aspen Plus electrolytes calculations. The apparent mass fractions of the ions Na+. You have now viewed the most relevant results for an electrolytes simulation. As the ions are concentrated in Stream LIQUID. OH–.to recombine to form water. Since the precipitated NaCl(S) is not an apparent component. the apparent mass fraction of NaCl(S) is zero because Aspen Plus does not consider precipitated salts to be apparent components. Stream MIXED is subsaturated in NACL and stream LIQUID is saturated with NACL.209 even though the true component basis mass fraction of NAOH is zero. MIX allows H3O+ and OH. Aspen Plus correctly calculates the bubble point of LIQUID (109 C) as greater than the bubble point of MIXED (103 C). This is why the apparent component basis mass fraction of NaOH is 0. which is greater than the boiling point of pure water at 1 bar (99. Precipitated salts and ions can only be true components. to view them. The Aspen Plus dialog box appears. the solubility limit of NaCl in water is exceeded. Compare the apparent mass fractions for the liquid phase with the true component mass fractions in stream LIQUID. Click choose. causing 30 kg/hr of molecular NaCl(S) to precipitate. 5 This simulation has other Results sheets. Click No. Because water dissociation is included as one of the electrolyte reactions. Even though stream LIQUID has precipitated NaCl(S).6 C). and enter a Run ID when prompted. and Cl– are also zero. Stream HCL and Stream NAOH are added together in block MIX to form Stream MIXED. This is reflected by the complete disappearance of molecular NaOH in this stream. and HCl. select File and then select Exit. Stream MIXED feeds into a Flash2 block where water is boiled off. H3O+. if you Exiting Aspen Plus 1 2 From the Aspen Plus menu. it is represented in the apparent component approach in terms of the original species that combined to form NaCl(S): NaOH.

Use this backup file to check your results. 1 Modeling Electrolyte Chemistry 29 .This simulation (using the apparent approach) is delivered as backup file elec1 in the Aspen Plus Examples Library.

use a distillation column to strip NH3 and H2S from a sour water feed stream. You will: • • • • Modify the generated Chemistry. Convert the simulation from the apparent approach to the true approach. Define a stream property (Property Set). Use the apparent component approach for electrolytes.2 Modeling a Sour Water Stripper In this simulation. Allow about 45 minutes to do this simulation. 2 Modeling a Sour Water Stripper 30 .

000 lb/hr Mass fraction H2S = 0. H2S. Initial estimate for molar reflux ratio = 25. Use RadFrac to simulate the stripper.001 Mass fraction H2O = 0.0 ppm NH3 Process Diagram: Sour Water Stripper The specifications for the column are: • • • • • • • • 10 theoretical stages total (includes one for the condenser).001 Mass fraction CO2 = 0. and NH3 from the sour water. Feed stream SOURWAT above stage 3. Feed stream STEAM on stage 10.Sour Water Stripper Flowsheet The process flow diagram and operating conditions for this simulation are shown in the Process Diagram: Sour Water Stripper. are fed to a stripper to remove CO2. Two feed streams.001 Mass fraction NH3 = 0. Column pressure of 15 psi (isobaric). Distillate product as saturated vapor (partial condenser). Vary the reflux ratio and stream STEAM feed rate to achieve a bottoms product with 5 ppm (mass) of NH3 and a condenser temperature of 190° F. 2 Modeling a Sour Water Stripper 31 . No reboiler.000 lb/hr On Stage 10 BOTTOMS 5. the other steam. one containing sour water.997 SOURWAT Above Stage 3 9 Theoretical stages + condenser Pressure = 15 psi Estimated molar reflux ratio = 25 Condenser temperature = 190 F STEAM Pressure = 15 psi Saturated vapor Estimated H2O flow rate = 2. VAPOR saturated vapor distillate Temperature = 190 F Pressure = 15 psi Total flow = 10.

is appropriate for this simulation. Select AspenTech | Aspen Engineering Suite | Aspen Plus 2004. select Start and then select Programs.Starting Aspen Plus To Start Aspen Plus 1 2 From your desktop. In this simulation. use an Aspen Plus template. Aspen Plus uses the application type you choose to automatically set various defaults appropriate to your application. The New dialog box appears. Aspen Plus displays a dialog box whenever you must enter information or make a selection before proceeding. To Select the Template Option 1 2 Select the Template radio button and click OK. Click OK to apply these options.1 | Aspen Plus User Interface. To Specify the Application Type and Run Type for the New Run 1 2 Select the Electrolytes with English Units template. The default Run Type. Use the New dialog box to specify the application type and the run type for the new run. The Aspen Plus Startup dialog box appears. 2 Modeling a Sour Water Stripper 32 . Flowsheet.

It will take a few seconds for Aspen Plus to apply these options. Select the Flowsheet tab. 1 2 3 From the Aspen Plus menu bar. Clear the Automatically Assign Block Name with Prefix and the Automatically Assign Stream Name with Prefix options. begin to build the process flowsheet. Drawing the Graphical Simulation Flowsheet In this simulation. turn off the default options which automatically assign these IDs. Note: If the Connect to Engine dialog box appears. 2 Modeling a Sour Water Stripper 33 . see Chapter 3. The Aspen Plus window is now active. 4 Click OK to close the Options dialog box and apply the changes. select Tools | Options. Since you will enter your own block and stream IDs. The Options dialog box appears.

Click OK to continue. Mass Flow basis for all flow inputs. Use this sheet to give your simulation a title. and Global Options The Data Browser window appears. 2 Modeling a Sour Water Stripper 34 . The Electrolytes with English Units application type sets the following global defaults for electrolytes applications: • • ENG units (English units). In the Title field. Specifying Title. Stream Properties.Simulation 2. The Setup | Specifications | Global sheet displays default Aspen Plus settings and units used for other sheets. It is always good practice to enter a title for the simulation. The Flowsheet Complete dialog box appears. 6 7 Click to guide you to the next required input. which is appropriate for this simulation. and to review the stream properties and global options that were set when you selected the Electrolytes with English Units application type.5 Place a RadFrac blocks and streams to create the graphical simulation flowsheet as follows: Note that the distillate stream is connected to the Vapor Distillate port. The Run type field displays Flowsheet. enter Getting Started with Electrolytes .

Because you chose an electrolytes Application Type. To Move to the Next Required Input Sheet 3 From the Data Browser. water already appears on the sheet. NH3. and CO2. The apparent (or base) components for this simulation are H2O. H2S. ELEC_E Stream Format: Aspen Plus formats the Stream Summary sheet for electrolytes. select the Setup | Report Options form. Specifying Components The Components Specifications Selection sheet appears. select the Components folder and then select Specifications.To Review the Report Options Specified in the Selected Template 1 2 From the Data Browser. Select the Stream sheet. 2 Modeling a Sour Water Stripper 35 . Aspen Plus displays the following defaults for calculating and reporting stream properties taken from the Electrolytes with Metric Units template: − − Flow Basis of Mass: Aspen Plus will report the component flow rates on a mass flow basis.

you must identify NH3 by entering either the Component name (ammonia) or the Formula (H3N). Click to move all components in the Available components column to the Selected components column. The Electrolyte Wizard Use the Electrolyte Wizard dialog box to define the ionic species that can be generated from the base components you specified on the Components | Specifications| Selection sheet. for defining automatic chemistry generation. 3 4 The Generated Species and Reaction dialog box appears: 2 Modeling a Sour Water Stripper 36 . 2 Click Elec Wizard.1 Enter the following components in addition to the predefined water: NH3 H2S CO2 Ammonia Hydrogen-Sulfide Carbon-Dioxide Because the formula for ammonia is represented as H3N in the Aspen Plus databank. Click to continue. 1 2 On the Electrolyte Wizard dialog box. The Electrolyte Wizard dialog box. appears. and to generate the reactions that occur among these components in the liquid phase. click .

To Remove the Salts from the Solution Chemistry 8 Select NH4HS(S) and NH4HCO3(S) from the Salts list. Now that you have removed NH2COO– from the Generated Aqueous Species list. Click Remove. 2 Modeling a Sour Water Stripper 37 .Aspen Plus generates all possible ionic species and reactions for the H2ONH3-H2S-CO2 system. To Remove Ammonium Carbamate Formation from the Solution Chemistry 5 6 7 Select NH2COO– in the Aqueous species list. Aspen Plus automatically removes all reactions involving NH2COO– from the Reactions list. In the Generated Reactions list. you know that ammonium carbamate formation can be neglected. the following arrows denote different reaction types: <===> --->> Denotes ionic equilibrium and salt precipitation Denotes complete dissociation For this simulation. The salts are also not relevant.

and partial dissociation of NH3 to NH4+. The Simulation Approach dialog box appears. use the apparent component approach. The ions and precipitated salts are not seen by the unit operation models. partial dissociation of CO2 to HCO3– and CO3–2. The component flow rates for ions are not reported. In this example. 10 On the Generated Species and Reactions dialog box click to accept the generated species and reactions. Aspen Plus solves the equations describing solution chemistry as part of the physical property calculations. allowing you to choose between the true species approach and the apparent component approach. 2 Modeling a Sour Water Stripper 38 . remove it from the solution chemistry to decrease the execution time required for your simulation. The apparent component approach also defines how Aspen Plus reports simulation results. Note: Any time you know that a reaction can be neglected because of expected process conditions. partial dissociation of H2S to HS– and S–2. When you use the apparent component approach.9 Click Remove. only ionic equilibrium reactions are generated. The remaining six generated reactions represent partial dissociation of water. Aspen Plus modifies the physical properties of the apparent components to account for the reactions described by the solution chemistry. For this simulation.

Since all components are databank components. 14 Click to continue. On the Components | Specifications | Selection sheet. Aspen Plus will report a value for the mole flow rate of H2S that includes molecular H2S.and S-2. providing Aspen Plus electrolytes expert system information. 13 Click Finish to close the dialog box. and S-2. Aspen Plus automatically retrieves all relevant physical property parameters. The Summary dialog box 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. Aspen Plus reports the component flow rates of the apparent components as if no dissociation occurred.Instead. 2 Modeling a Sour Water Stripper 39 . you could add them to the list on this sheet. HS-. For example. The Components | Henry Comps | Global | Selection sheet appears. 11 Select the Apparent component approach option. If you choose the apparent component approach. 12 Click to move to the next dialog box. If you had additional Henry's Law components in your simulation (such as nitrogen and oxygen). GLOBAL. the generated Chemistry for this system specifies that H2S partially dissociates into HS. Aspen Plus has now added the generated electrolyte components.

Select the various reactions in the Equilibrium reaction field. The Reactions | Chemistry | Global | Stoichiometry sheet appears.Examining Generated Chemistry In the previous step. select the Chemistry | Global. the Aspen Plus Electrolyte Wizard automatically generated the chemistry definition for your simulation and named it GLOBAL. The Properties | Specifications | Global sheet appears. with the data for the selected reaction that was generated by the Electrolytes Wizard. From the Data Browser. 3 Click the Equilibrium Constants tab. To View the Generated Chemistry 1 Select a Reaction and click Edit. The Equilibrium Reaction Stoichiometry dialog box appears. select the Reactions folder. 2 Close the dialog box and view the other reactions using the same steps. From the Reactions folder. The Electrolyte Wizard has already completed this sheet: 4 2 Modeling a Sour Water Stripper 40 . All six reactions have equilibrium constants that have been retrieved from the Aspen Plus reactions database. To Examine the Generated Chemistry 1 2 From the Data Browser. select the Properties folder and then select Specifications.

11 Click to continue. Click to continue. GMELCD. and then select the Electrolyte Pair folder. then select the Parameters folder. The Electrolyte Pair GMELCD-1 Input sheet appears. you could enter them on this sheet. Use this sheet to view the Henry's Law parameters retrieved by the electrolytes expert system. GMELCE. 9 Click to continue. you could enter them on this sheet. 8 From the Data Browser. The Binary Interaction sheet appears for the binary parameters HENRY1. The Binary Interaction sheet appears for the binary parameters NRTL-1. 10 Click to continue. If you had your own molecule-molecule interaction parameters. and GMELCN. The Electrolyte Pair GMELCC-1 Input sheet appears. If you had your own Henry's Law parameters. 2 Modeling a Sour Water Stripper 41 . Use this sheet to view the molecule-molecule interaction parameters retrieved by the electrolytes expert system. If you had your own pair parameters. The Electrolyte Pair GMELCE-1 Input sheet appears. 7 Click to continue. select the Properties folder. The Electrolyte Pair sheets define the electrolyte pair parameters: GMELCC. you could enter them on these sheets.5 6 Ensure that the Use true-components checkbox is cleared.

the only physical property specification that you must provide is the selection of an option set.12 Click to continue. 2 Modeling a Sour Water Stripper 42 . you don't need to provide any optional specifications or data. complete the rest of the flowsheet specifications in the same way as for non-electrolytes. Now that the Components and Properties specifications are complete. This dialog box shows that the Aspen Plus physical property system has many optional capabilities to increase the accuracy of the physical property calculations. 13 Click to continue. For many simulations. The Electrolyte Pair GMELCN-1 Input sheet appears. The Required Properties Input Complete dialog box appears: Correct representation of physical properties is essential to process modeling. Use all Aspen Plus unit operation models in an electrolytes simulation. Because the Aspen Plus electrolytes database has data for all components and pairs in this system. 14 Click OK to move to the next required input.

Enter the following mass fraction values: 4 Click to continue. 1 Enter the following data: Temperature Pressure Total flow Mass 190 F 15 PSI 10000 LB/HR 2 3 In the Composition field.001 0.Entering Stream Data The Streams | SOURWAT | Input | Specifications sheet appears. 2 Modeling a Sour Water Stripper 43 . click Enter the following data: Vapor fraction Pressure Composition 1 15 PSI Mass-Flow and select Vapor fraction. Aspen Plus requires two thermodynamic specifications and enough information to calculate the molar flow rate of each component.001 0. 5 6 In the Temperature field.997 0. The Streams | STEAM | Input | Specifications sheet appears.001 and select Mass-Frac. click H2O NH3 H2S CO2 0.

select Mole and specify 25 as the initial estimate for reflux ratio. The other operating specification is disabled because you can only specify one spec when Reboiler is None. 2 Modeling a Sour Water Stripper 44 . then click the words Operating specifications on the Configuration sheet. To Review the Types of Specifications that You Can Make for RadFrac 1 2 3 4 Click . close the Help window. Review the types of specifications. enter the following: Number of stages Condenser Reboiler 10 (9 theoretical stages and condenser) Partial-Vapor None 5 In the Operating specifications section.H2O Mass flow value 2000 LB/HR 7 Click to continue. On the Blocks | B1 | Setup | Configuration sheet. Click the link Operating Specifications Descriptions. at the Reflux Ratio field. then when you are ready to continue. Specifying the RadFrac Block The Blocks | B1 | Setup | Configuration sheet appears.

The Streams sheet does not allow flow specifications for distillate product or bottoms product streams. Use this sheet to describe how the streams are connected to the RadFrac block. Because stream VAPOR is connected to the vapor distillate port. The Setup | Pressure sheet appears. Similarly. The Blocks | B1 | Setup | Streams sheet appears. For the STEAM feed stream. Aspen Plus assigns stream BOTTOMS as a liquid phase product from stage 10. 2 Modeling a Sour Water Stripper 45 . 10 Click to continue. enter 3 in the Stage field and AboveStage in the Convention field. 8 9 For the SOURWAT feed stream. enter 10 in the Stage field and On-Stage in the Convention field. Aspen Plus automatically assigns stream VAPOR as a vapor phase product from stage 1.6 The Blocks | B1 | Setup | Configuration sheet is complete: 7 Click to continue.

and the second will be a condenser temperature of 190°F. Use this sheet to specify where this specification is to be applied. The first will be a concentration of 5 ppm NH3 in BOTTOMS. click and select Mass purity. Click New. indicating that all required input specifications have been entered: 3 Click Cancel to close the dialog box. Click to continue. The Required Input Complete dialog box appears. select NH3 (ammonia) and click . To Define the First Design Specification 1 2 3 Click the Blocks | B1 | Design Specs folder. These specifications include setting up two design specifications. The Design Specs object manager appears. enter the value 5. Click to continue. 2 Modeling a Sour Water Stripper 46 . The Design Specs | 1 | Components sheet appears. 7 In the Components area. The Design Specs | 1 | Specifications sheet appears.0E-6.To Specify that this Column Operates Isobarically at 15 psia 1 2 In the Stage 1 / Condenser pressure field. 4 5 6 In the Type field. In the Target field. from the Available components column. enter 15 psi. The Create new ID dialog box appears: Click OK to accept the default ID of 1. and what component and phase it applies to. You can now enter optional specifications.

9 From the Available streams column.8 Click to continue. Click to continue. The Vary Object Manager appears. enter 190 F. A new Design Specs | 2 | Specifications sheet appears. Define two manipulated variables to meet the two design specifications. select BOTTOMS and click The Design Specs | 1 sheet is complete: . click OK to accept the default ID of 2. In the Create new ID dialog box . The Design Specs | 1 | Feed/Product Streams sheet appears. select Stage temperature. Aspen Plus adjusts the steam feed rate and reflux ratio to achieve the NH3 bottoms concentration specification and the condenser temperature specification. To Define Another Design Specification 1 2 3 4 5 6 7 From the Data Browser. enter 1. In this simulation keep free the steam feed rate and the reflux ratio specifications provided on the Blocks | B1 | Setup sheet. The Design Specs object manager appears. In the Stage field. In the Type field. 2 Modeling a Sour Water Stripper 47 . Click New. select the Design Specs folder. In the Target field.

To Define the First Manipulated Variable
1 Click New and then click OK. The Vary | 1 | Specifications sheet appears. On this sheet, specify which input variables you want to keep free in order to meet the design specifications you provide. 2 3 4 5 In the Type field, select Feed rate. In the Stream name field, select STEAM. In the Lower bound field, enter 50 lbmol/hr. In the Upper bound field, enter 200 lbmol/hr. On the Streams | STEAM form you specified a Mass-Flow for stream STEAM. However, when you select the variable type Feed rate on the Vary form, Aspen Plus assumes the Feed rate to be on a mole basis. In this case, varying the Feed rate on a mole basis from 50-200 (lbmol/hr) is equivalent to varying the Mass flow from 900-3600 (lb/hr).

To Define the Second Manipulated Variable
1 2 3 4 5 From the Data Browser, select the Vary folder. Click New and then click OK. In the Type field, select Reflux ratio. In the Lower bound field, enter 15. In the Upper bound field, enter 50.

2 Modeling a Sour Water Stripper

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As with Feed rate, Aspen Plus always varies the reflux ratio on a mole basis, even if you specify a mass reflux ratio on the Blocks | B1 | Setup form. 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.

To Change the Report
1 2 3 From the Data Browser, select Blocks | B1 | Report. The Report | Property Options sheet appears. Click the Profile Options tab. On the Profile Options sheet, in the Stages to be included in report section, select All Stages. By default, Aspen Plus reports only temperature, pressure, total mole flows, enthalpy, mole fractions and K-values for the selected trays. Request that additional properties be reported by selecting additional property sets on the Properties sheet. Specify that Aspen Plus report pH and true component mole fractions using two built-in Property Sets. 4 5 Click the Properties tab. In the Defined property sets column, select PH and XTRUE and click to move the selected property sets into the Selected property sets column.

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2 Modeling a Sour Water Stripper

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the message Results Available appears in the status area at the right of the main window toolbar. 2 Modeling a Sour Water Stripper 51 . The Control Panel appears. As in simulation 1. Click OK to run the simulation. When the calculations finish. It takes a few moments for Aspen Plus to process input specifications and perform the simulation. click to view the results of your run. As the run proceeds. 3 When the message Results Available appears in the status bar. The Required Input Complete dialog box appears.Running the Simulation 1 2 Click to continue. messages appear in the Control Panel. Aspen Plus displays messages indicating that some properties have been retrieved from a special databank.

Examining Simulation Results Aspen Plus generates many results for this simulation. The Balance sheet appears. 4 Click to move to the next results sheet. and duties for the top and bottom stage of the column. To View RadFrac Results 1 2 3 In the Aspen Plus menu bar. On the flowsheet. temperatures. 2 Modeling a Sour Water Stripper 52 . Click the right mouse button and select Results. The block is in mass balance. The enthalpy would have balanced if you had assigned a heat stream to the condenser duty. The Blocks | B1 | Results Summary sheet appears. but is not in enthalpy balance. select the RadFrac block. This sheet reports the flows. A summary of the results of the design specifications is located on the Design Specs | Results sheet. because heat is being removed from the RadFrac block in the condenser. select Window | Process Flowsheet Window. This sheet reports the specified values and the final values for all of the design specifications. This example guides you through a review of some of the simulation results. Examine any results that are of interest to you.

In the View field. select the Blocks | B1 | Design Specs folder. To View Composition Profiles 1 2 3 From the Data Browser. This sheet reports the specified bounds and the final values for all manipulated variables. Since you chose the apparent component approach for this simulation. Click the Results tab to view the Design Spec results. To View Vary Results 1 2 From the Data Browser. select the Blocks | B1 | Vary folder. Select the Compositions sheet to view the results. 2 Modeling a Sour Water Stripper 53 . The Profiles | Compositions sheet lists the mole fractions of each component for every stage. A summary of the results of the manipulated variables is located on the Vary | Results sheet.To View Design Spec Results 1 2 From the Data Browser. only the apparent components are reported. Click the Results tab to view the Vary results. click and select Liquid. select the Blocks | B1 | Profiles folder.

Consider the results for Stage 1. In general. The true composition of NH3 and NH4+ sum to 0. This slight difference is caused by the solution chemistry. You may need to click the arrows at the right end of the row of tabs to reach it.03147 on Stage 1. the total number of moles is not conserved by solution chemistry. This value is slightly different from the apparent mole fraction of NH3 reported on the Compositions sheet: 0. the fourth equilibrium reaction consumes 3 moles of reactants and generates two moles of products: CO2 + 2 H 2 O ⇔ H 3 O + + HCO3− 2 Modeling a Sour Water Stripper 54 . In this simulation. To View these Results 1 Select the Properties sheet.The Profiles | Properties sheet reports the actual composition of molecular components and ions.03138.

73 4 Select the K-Values sheet. Aspen Plus also reports the K-values calculated by RadFrac (or any flash) on an apparent basis. 2 Modeling a Sour Water Stripper 55 .The total number moles on an apparent component basis will be different from the total number of moles on a true component basis. select Vapor.73. Thus XNH3 (apparent basis) is not exactly equal to XNH3 (true basis) + XNH4+ (true basis).03138 2 3 Select the Compositions sheet. These results demonstrate that when you use apparent components. In the View field. The vapor composition of apparent NH3 on stage 1 is: YNH3 = 0.21116 From these two values. 5 Close all open windows. The liquid composition of apparent NH3 on stage 1 is: XNH3 = 0. The K-value for NH3 on stage 1 is 6. you can calculate a K-value for NH3 on stage 1: K = YNH3/XNH3 = 6.

On the Properties | Specifications | Global sheet. To Revise the RadFrac Design Specification to Apply to the Apparent Composition of NH3 1 2 3 4 On the flowsheet. click the right mouse button and select New. 2 Modeling a Sour Water Stripper 56 . The Design Specs object manager appears. However. In the Target field. and click Edit. To convert the simulation to the true component approach. select Data | Properties.Converting to True Components Choosing between the true component approach and the apparent component is a matter of personal preference. For all simulations. click and select Property value.0 ppm (mass) of apparent NH3 in the bottoms. Modify Design Spec 1 to specify a stream property for the apparent mass fraction of NH3. The Design Specs | Specifications sheet appears. enter XNH3APP as the new property set name. select the RadFrac block. In the Aspen Plus dialog box. the simulation results should be equivalent. For the RadFrac block. Select Design Spec ID 1. and you must adapt the Design Spec in the RadFrac block (5 ppm mass apparent NH3 in the bottoms). Click OK.0E-6. select the Design Specs folder. this specification is incorrect for the true component approach. In the Property set field. From the Data Browser. enter 5. because a significant portion of the apparent NH3 is present as NH4+. To demonstrate this. you entered a desired specification of 5. you must tell Aspen Plus to use the true component approach. Right-click on the RadFrac block and select Input. 5 6 7 8 9 In the Type field. To Tell Aspen Plus to Use the True Component Approach 1 2 From the Aspen Plus menu bar. select the checkbox next to Use true-components. you will convert this simulation from the apparent component approach to the true component approach.

click to continue. 11 In the Available streams column. 13 Click Search. 12 Click to continue. 20 In the Phase field. 16 Select Apparent component mass fraction (alias WXAPP) from the search results. 21 In the Component field. to 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. 2 Modeling a Sour Water Stripper 57 . The Required Properties Input Complete dialog 22 Click box appears. and select NH3. 17 Click Add. The system searches for valid physical properties and displays them in the second field of the Search Physical Properties dialog box. click and select Liquid. 15 Click Search. select BOTTOMS and click move the stream to the Selected stream column. enter apparent component mass fraction in the first field. 19 Select the Qualifiers sheet.10 Select the Feed/Product Streams sheet. The system adds the selected physical property and displays it in the third field of the Search Physical Properties dialog box. 18 Click OK. 14 In the Search Physical Properties dialog box.

the K-values calculated by RadFrac (or any flash) are also reported on a true basis. NH4+ In the View field. including the ions. In the View field. the reported K value for NH3 matches the value you just calculated. Select the Compositions sheet to view the results. and the Control Panel. the message Results Available appears in the status area at the right of the Main Window toolbar. From the Data Browser. 1 Click OK.02093 = 0. On stage 1. This sheet reports the liquid phase mole fraction for all components.09 7 Select the K-Values sheet.23 Click OK. This demonstrates that when true components are used. Right-click inside the RadFrac block and select Results. 2 Close all open windows. To View Selected Results of the True Component Simulation 1 2 3 4 5 On the flowsheet. 2 Modeling a Sour Water Stripper 58 . select the Profiles folder. K = YNH3/XNH3 = 10. Stage 1 reports the following composition: Y NH3 = 0. When the calculations finish. select the RadFrac block. click Note that all ions have a mole fraction of zero in the vapor phase. click and select Liquid.21115 From these values. Running the True Component Simulation The Required Input Complete dialog box appears informing you that all specifications are complete and the simulation can be run.01054 and select Vapor. a stage 1 K-value for NH3 can be calculated. Stage 1 reports the following compositions: X X 6 NH3 = 0.

even if they are not numerically equal.5 True -1. select File | Exit. Use this backup file to check your results. This simulation (using the apparent approach) is delivered as backup file elec2 in the Aspen Plus Examples Library.46E6 190 213 1787 29.4 All values are virtually identical. Parameter Condenser duty (BTU/HR) Condenser Temperature (F) Bottom Stage Temperature (F) Steam Feed Rate (lb/hr) Molar Reflux Ratio Apparent -1. The Aspen Plus dialog box appears. The table below compares a number of the values calculated in the true component simulation and the apparent component simulation. 2 Modeling a Sour Water Stripper 59 . This demonstrates that the results calculated by the true approach and the apparent approach are equivalent.46E6 190 213 1787 29. and enter a Run ID when prompted.Note that the K-value calculated in the apparent simulation is not equal to the K-value calculated in the true simulation due to the partial dissociation of ammonia. Click No. Exiting Aspen Plus 1 2 From the Aspen Plus menu bar. – or – Click Yes if you want to save the run.

Click OK to continue. The simulation engine is installed on your PC. If the Connection Established message does not appear. If you choose Windows 2000 or XP server as the server for the simulation engine. enter the following information: User name Password Working directory Your user name for the specified host/server.3 Connecting to the Aspen Plus Simulation Engine If either of the following conditions exist. The associated working directory. enter the following additional information: 3 4 In the Node name field. and select the type of host computer If you choose Local PC as the server for the simulation engine. When the network connection is established. you do not need to enter any more information into the dialog box. enter the node name of the computer on which the Aspen Plus simulation engine will execute. the Connect to Engine dialog box appears. In these cases. but the Activator security device is not connected to your PC. In the other fields. 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. 1 2 In the Server type field. the message Connection Established appears in the message box. Your password for the above user name. 5 Click OK. click for the simulation engine. 3 Connecting to the Aspen Plus Simulation Engine 60 . see your Aspen Plus system administrator for more information on network protocols and host computers for the Aspen Plus simulation engine.

Aspen Process Manual™. Aspen Order Credit Management™. Aspen Cim-IO for Yokogawa Centum XL™. Aspen Process Plant Construction Standards™. Aspen Operations Manager Integration Infrastructure™. Aspen OnLine®. Aspen Report Writer™. Aspen DMCplus® Composite. Aspen PIMS Simulator Interface™. All rights reserved. Aspen Tank Management™. Aspen Distribution Scheduler™. Aspen Watch General Information 61 . Aspen PIPESYS™. Aspen Plant Scheduler™. Aspen RateSep™. Aspen Plant Planner & Scheduler™. Aspen RefSYS Spiral™. Aspen Utilities™. Aspen HYSYS Crude™. Aspen Advisor™. Aspen Production Control Web Server™. Aspen IQ Online™. Aspen Inventory Balancing™. Aspen Cim-IO for GSE D/3™. Aspen NPIMS™. Aspen PPIMS™. Aspen PIMS Blend Model Library™. Aspen Operations Manager . Aspen Fuel Gas Optimizer Desktop™. Aspen AssetBuilder™. Aspen HYSYS®. Aspen Compliance. Aspen TASC-Mechanical™. Aspen Pumper Log™. Aspen HYSYS Dynamics™. Aspen Cim-IO for ACS™. Aspen Process Tools™. Aspen Q Server™. Aspen SmartStep Desktop™. Aspen Cim-IO for G2™.21®. Aspen PIMS Distributed Processing™. Aspen Data Source Architecture™. Aspen Cim-IO for Intellution Fix™. Aspen COMThermo®. Aspen PEP Process Library™. Aspen FIHR™. Aspen Cim-IO for Hitachi PLC (H04E)™. Aspen PIMS Submodel Calculator™. Aspen ACOL™. Aspen Fleet Operations Management™. Aspen PIMS Mixed Integer Programming™. Aspen Demand Manager™. Aspen Cim-IO Monitor™. Aspen Collaborative Forecasting™.Role Based Visualization™. Aspen Orion™. Aspen Supply Chain Connect™. Aspen Plus OLI Interface™. Aspen Orion Planning™. Aspen PIMS Solution Ranging™. Aspen Aerotran®. Aspen HYSYS OLGAS 3-Phase™. Aspen Hydrocracker®. Aspen HYSYS OLGAS™. Aspen Cim-IO Interfaces™. Aspen Plant Scheduler Lite™. Aspen Cim-IO for Hewlett-Packard RTAP™. Aspen Operations Manager . Aspen Teams®. Aspen Properties®. Aspen SmartStep Online™. Aspen RTO Watch Cim-IO Server™. Aspen FLARENET™. Aspen HX-Net®. Aspen Chromatography®. Aspen Hetran®. Aspen Custom Modeler®. Aspen Transition Manager™. Aspen Product Margin & Blending Evaluation™. Aspen Supply Planner™. Aspen RefSYS™. Aspen Hydrotreater™. Aspen RTO Watch Server™. Aspen Icarus Project Manager®. Aspen Scheduling & Inventory Management™. Aspen CatRef®. Aspen HYSYS Upstream Dynamics™. Aspen HYSYS Tacite™. Copyright Version Number: 2004. Aspen MBO™.Event Management™. Aspen eBRS™. Aspen DMCplus® Desktop. Inc.General Information This section provides Copyright details and lists any other documentation related to this release. Aspen MIMI®. Aspen HYSYS OLI Interface™. Aspen TICP™. Aspen Process Order™.21™. Aspen Cim-IO for Dow MIF™. Aspen Automated Stock Replenishment™. Aspen Plus®. Aspen Kbase®. Aspen SQLplus™. Aspen Watch Desktop™. Aspen Cim-IO for Yokogawa EW3™. Aspen DMCplus® Online. Aspen Calc™. Aspen ProFES® 3P Tran. Aspen FCC®. Aspen TASC™. Aspen PIMS XNLP Optimizer™. Aspen IQmodel Powertools™. Aspen Capable-to-Promise®. Aspen Terminals Management™. Aspen Batch Plus®. Aspen Crude Margin Evaluation™. Aspen LPIMS™. Aspen DISTIL™. Aspen Cim-IO for Melsec™. Aspen CimIO for Csi VXL™. Aspen Supply Chain Analytics™. Aspen Adsim®. Aspen Enterprise Model™. Aspen General Construction Standards™. Aspen Apollo Desktop™. Aspen ProFES® 2P Wax. Aspen Process Data™. Aspen DPO™. Aspen PIMS Enterprise Edition™. Aspen Framework™. Aspen Multivariate Server™. Aspen Collaborative Demand Management™. Aspen HYSYS Amines™. Aspen Cim-IO for Yokogawa Centum CS™. Aspen Crude Manager™. Aspen BatchCAD™. Aspen IQ Desktop™. Aspen Local Security™. Aspen Dynamics®. Aspen LIMS Interface™. Aspen Apollo Online™.Peformance Scorecarding™. Aspen Fuel Gas Optimizer Online™. Aspen RefSYS CatCracker™. Aspen Operations Manager . Aspen Batch. Aspen MPIMS™. Aspen ProFES® 2P Tran. Aspen COMThermo TRC Database™. Aspen BatchSep™. Aspen FRAN™. Aspen ERP Connect™. Aspen Resource Scheduling Optimization™. Aspen HYSYS Upstream™. Aspen PIMS™. Aspen Cost Factor Manual™. Aspen MUSE™. Aspen Alarm & Event™. Aspen Planning Accuracy™. Aspen Cim-IO for WonderWare InTouch™. Aspen Process Recipe®. Aspen Voice Fulfillment Management™. Aspen Turbo PIMS™. Aspen ATOMS™. Aspen Icarus Process Evaluator®. Aspen Process Explorer™. Aspen Decision Analyzer™. Aspen APLE™. Aspen Cim-IO™.1 April 2005 Copyright © 1981 – 2005 Aspen Technology. Aspen ProFES® Tranflo. Aspen InfoPlus.21™. Aspen PIPE™. Aspen Polymers Plus®.

This documentation contains AspenTech proprietary and confidential information and may not be disclosed. Inc.com/ Related Documentation Title Aspen Plus Getting Started Building and Running a Process Model Aspen Plus Getting Started Modeling Processes with Solids Aspen Plus Getting Started Modeling Petroleum Processes Aspen Plus Getting Started Using EquationOriented Modeling Aspen Plus Getting Started Customizing Unit Operation Models Aspen Engineering Suite Installation Manual Content Tutorials covering basic use of Aspen Plus..aspentech. Aspen Zyqad™. Aspen Web Fulfillment Management™. SLM Commute™. Aspen WinRace Database™. Aspen XPIMS™. Corporate Aspen Technology. or copied without the prior consent of AspenTech or as set forth in the applicable license. Inc. MA. used. Cambridge. Aspen Water™. and Plantelligence are trademarks or registered trademarks of Aspen Technology. Aspen Zyqad Development Version™. SLM™. This document is intended as a guide to using AspenTech's software.Server™. All other brand and product names are trademarks or registered trademarks of their respective companies. the aspen leaf logo. MA 02141-2201 USA Phone: (1) (617) 949-1000 Toll Free: (1) (888) 996-7001 Fax: (1) (617) 949-1030 URL: http://www. A prerequisite for the other Getting Started guides Tutorials covering the Aspen Plus features designed to handle solids Tutorials covering the Aspen Plus features designed to handle petroleum Tutorials covering the use of equationoriented models in Aspen Plus Tutorials covering the development of custom unit operation models in Aspen Plus Instructions for installing Aspen Plus and other Aspen Engineering Suite products Procedures for using Aspen Plus Aspen Plus User Guide General Information 62 . SLM Config Wizard™. Ten Canal Park Cambridge.

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