ST Help Usercase1

Getting started with
Simulis Thermodynamics
Case 1: Building a water and ethanol flash TP

calculation function in Excel
2014 ProSim S.A. All rights reserved.

2
Introduction
This document presents the different steps to follow in order to

calculate a flash at a fixed temperature and pressure for a
mixture of water and ethanol, in a Excel spreadsheet.
The steps are the following:

Step 1: Creating a Simulis object in a spreadsheet
Step 2: Managing the unit system
Step 3: Selecting the compounds
Step 4: Selecting the thermodynamic model
Step 5: Building functions in the spreadsheet

2007 ProSim S.A. All rights reserved. www.prosim.net
Getting started with Simulis Thermodynamics: Case 1: Building a water - ethanol flash TP calculation function within Excel
Step 1: Creating a Simulis object in a 3
spreadsheet
2. Click on the Insert menu 1. Go to the Add-Ins tab

3. Select Simulis Calculator object
Step 1: Creating a Simulis object in a 4
spreadsheet
1. Select cells range to insert the
Simulis Calculator object
2. Click on OK
a new Simulis Calculator

object is created.
You can insert multiple Simulis objects

(Calculators or other Simulis objects)
in the same spreadsheet.
When selecting the cells, you choose

the size and shape of your Simulis
object.
You can also select the cells first, then
insert the Simulis object.
5
1. You can access the contextual menu

through the main menu button or with a
right click of the mouse on the Simulis
Calculator object
2. Select Edit the input unit system to

customize the input system.

6
You can select predefined unit

systems
or customize your unit

system, quantity per quantity,
with the scroll down menu.
Both input and output unit

systems can be customized.
You can also choose different
unit systems for the input and

for the output
7
Step 3: Selecting your compounds
Select Edit in the Simulis toolbar,

then choose the object you want to
edit
or right click on the Simulis

Calculator object to access the
scroll down menu, then select

Edit the Calculator
8

You can add compounds for which properties are
available in the databases you installed. To do so,
click on Select compounds"
To create your own

compounds, click on
"Add a new compound"

9

3. Click on the Search button to get the 4. The search results are
list of compounds that match your shown in this area.
criteria
2. You have access

to multiple search
criteria

1. Select the compounds server(s) (databases You can run multiple
or packages) available in which you wish to searches without closing
search the compounds this windows
10

1. Double click to add the compound to your final
selection, on which you will run the calculations
2. The selected
compounds are
listed in this area

3. Click on "Close" to end the
compounds selection process
11

2. Right-clicking on the compound will
give you access to options to manage the 1. Repeat the sequence for
list of compounds the other compounds

Step 4: Selecting the thermodynamic 12
model
1. Click on the Model tab to
enter the thermodynamic
models editor 2. Select the Thermodynamic profile
3. Adjust the different

parameters calculation
methods according to your
system, when necessary

Step 4: Selecting the thermodynamic 13
model
1. Click on the Binaries tab to enter the
binaries search window 2. Click here for binaries interaction
coefficients automatic search
3. Results are shown here

4. Click on OK to
validate your inputs and
return to MS Excel
Step 5: Building functions in the 14
spreadsheet
2. Insert a function
1. Select a cell
3. Choose the Simulis
Calculator set of
functions
5. Click on OK to

enter the function
arguments window
4. Select the desired function
spreadsheet
This function enables you to edit the names of the compounds
of your system in the spreadsheet
1. Select the Simulis object in the

spreadsheet (enter the name of the
object)
2. Select the compound index

number in the list you built (eg: 1 is
water, 2 is ethanol)

3. Click on OK to validate
spreadsheet
1. The results of the first function appear on
your spreadsheet
2. Follow the same steps to display the

appropriate unit names of your system

spreadsheet
The creation of the flash function will
follow the same process
1. Select the range of cells where

the results will be shown
2. Insert the function
3. Select the flash TP function in

the Simulis Calculator functions
list

4. Press OK to enter the
function argument window
spreadsheet
The function will return mass or

molar composition of the liquid
(xl), and vapor (yv) phases, and
the equilibrium constants (ki) for
all compounds (in our case, we
will get six values).
Key in the function parameters

and press simultaneously
Ctrl+Shift+Enter to return a
vector in the results cells you
selected (see users guide)

spreadsheet
Results appear directly in the spreadsheet

20
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Getting started with

Case 1: Building a water and ethanol flash TP

2014 ProSim S.A. All rights reserved.

This document presents the different steps to follow in order to

The steps are the following:

2014 ProSim S.A. All rights reserved.

2014 ProSim S.A. All rights reserved.

a new Simulis Calculator

You can insert multiple Simulis objects

2014 ProSim S.A. All rights reserved.

2007 ProSim S.A. All rights reserved. www.prosim.net

Step 2: Managing the unit system

1. You can access the contextual menu

2. Select Edit the input unit system to

2014 ProSim S.A. All rights reserved.

Step 2: Managing the unit system

You can select predefined unit

or customize your unit

Both input and output unit

2014 ProSim S.A. All rights reserved.

2007 ProSim S.A. All rights reserved. www.prosim.net

Step 3: Selecting your compounds

Select Edit in the Simulis toolbar,

or right click on the Simulis

2014 ProSim S.A. All rights reserved.

2007 ProSim S.A. All rights reserved. www.prosim.net

Step 3: Selecting your compounds

To create your own

2014 ProSim S.A. All rights reserved.

Step 3: Selecting your compounds

2. You have access

2014 ProSim S.A. All rights reserved.

Step 3: Selecting your compounds

2014 ProSim S.A. All rights reserved.

Step 3: Selecting your compounds

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3. Adjust the different

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3. Results are shown here

2014 ProSim S.A. All rights reserved.

2007 ProSim S.A. All rights reserved. www.prosim.net

2014 ProSim S.A. All rights reserved.

1. Select the Simulis object in the

2. Select the compound index

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2007 ProSim S.A. All rights reserved. www.prosim.net

2. Follow the same steps to display the

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1. Select the range of cells where

2. Insert the function

3. Select the flash TP function in

2014 ProSim S.A. All rights reserved.

2007 ProSim S.A. All rights reserved. www.prosim.net

The function will return mass or

Key in the function parameters

2014 ProSim S.A. All rights reserved.

Results appear directly in the spreadsheet

2014 ProSim S.A. All rights reserved.

2014 ProSim S.A. All rights reserved.

2007 ProSim S.A. All rights reserved. www.prosim.net

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