Simple thermodynamic example - Simulis Thermodynamics from ProSim

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Case 1: Building a water and ethanol flash TP
calculation function in Excel
Getting started with
Simulis® Thermodynamics

©2014ProSimS.A.Allrightsreserved.
2
Getting started with Simulis Thermodynamics: Case 1: Building a water - ethanol flash TP calculation function within Excel
www.prosim.net© 2007 ProSim S.A. All rights reserved.
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
Introduction

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2. Click on the “Insert” menu
3. Select “Simulis Calculator” object
Step 1: Creating a Simulis object in a
spreadsheet
1. Go to the “Add-Ins” tab

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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.
Step 1: Creating a Simulis object in a
spreadsheet

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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.

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…or customize your unit
system, quantity per quantity,
with the scroll down menu.
You can select predefined unit
systems…
 Both input and output unit
systems can be customized.
 You can also choose different
unit systems for the input and
for the output

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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”
Step 3: Selecting your compounds

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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"

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2. You have access
to multiple search
criteria
3. Click on the Search button to get the
list of compounds that match your
criteria
1. Select the compounds server(s) (databases
or packages) available in which you wish to
search the compounds
4. The search results are
shown in this area.
You can run multiple
searches without closing
this windows

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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

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

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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
model

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2. Click here for binaries interaction
coefficients automatic search
4. Click on “OK” to
validate your inputs and
return to MS Excel
1. Click on the “Binaries” tab to enter the
binaries search window
3. Results are shown here
Step 4: Selecting the thermodynamic
model

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1. Select a cell
2. Insert a function
5. Click on “OK” to
enter the function
arguments window
4. Select the desired function
3. Choose the Simulis
Calculator set of
functions
Step 5: Building functions in the
spreadsheet

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1. Select the Simulis object in the
spreadsheet (enter the name of the
object)
3. Click on “OK” to validate
This function enables you to edit the names of the compounds
of your system in the spreadsheet
2. Select the compound index
number in the list you built (eg: 1 is
water, 2 is ethanol)
spreadsheet

16
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

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2. Insert the function
1. Select the range of cells where
the results will be shown
3. Select the flash TP function in
the Simulis Calculator functions
list
4. Press “OK” to enter the
function argument window
The creation of the flash function will
follow the same process
spreadsheet

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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 user’s guide)
spreadsheet

19
Results appear directly in the spreadsheet
spreadsheet

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Simple thermodynamic example - Simulis Thermodynamics from ProSim

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