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Selecting Electrolyte Property Models

Backup File | Entering Components and Properties | Generating a Txy Diagram | To Generate a Txy | Activity Coefficient | Лабораторная работа № 5. | Starting Aspen Plus | And Global Options | The Electrolyte Wizard | Chemistry |


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The Properties Specifications Global sheet is used to enter the

thermodynamic methods used to calculate the properties used in

the simulation.

1 From the Data Browser, open the Properties folder and select

Specifications.

The Properties | Specifications | Global sheet appears. The

Electrolyte Wizard has already completed this sheet:

The Electrolyte-NRTL activity coefficient model, ELECNRTL,

is the recommended option set for simulations with

electrolytes. ELECNRTL calculates liquid phase properties

from the Electrolyte-NRTL activity coefficient model. Vapor

phase properties are calculated from the Redlich-Kwong

equation of state.

ELECNRTL can represent aqueous and aqueous/organic

electrolyte systems over the entire range of electrolyte

concentrations with a single set of binary interaction

parameters. In the absence of electrolytes, the model reduces to

the standard NRTL model.

Aspen Plus contains a databank of binary interaction

parameters between water and over 600 electrolyte ion pairs. If

the binary interaction parameters between any solvent and an

electrolyte ion pair are missing from the databank, and you do

not provide values, Aspen Plus provides reasonable default

values.

2 Click to continue.

Getting Started - Electrolytes Modeling Electrolyte Chemistry2-15

The Binary Interaction | HENRY-1| Input sheet appears.

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 would enter them on this sheet.

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:

2-16Modeling Electrolyte Chemistry Getting Started - Electrolytes

Correct representation of physical properties is essential to

process modeling. For many simulations, the only physical

property specification that you must provide is the selection of

a property method. This dialog box shows that the Aspen Plus

physical property system has many optional capabilities to

increase the accuracy of the physical property calculations.

Because the Aspen Plus electrolytes database has data for all

components and pairs in this simulation, you don't need to

provide any optional specifications or data.

Now that the Components and Properties specifications are

complete, complete the rest of the flowsheet specifications in

the same way as for nonelectrolytes. There are no stream or

block restrictions in using Aspen Plus electrolytes. You can use

all Aspen Plus unit operation models in an electrolytes

simulation.

10 Click OK to move to the next required input.


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