STARTING UniSim Design R390

After starting the software, the main sale will look as follows:

FIGURE 1

SETTING SESSION PREFERENCES

Before starting to work, it is advisable to set our work preferences. The interface of
UniSim Design R390 work is highly customizable regarding simulation, the variables,
result reports, etc. We will focus here on the system configuration of
units.

For that:

1. Click on Tools, which is located in the menu bar, and then on Preferences.
A screen will appear (see figure 2) where there are several configuration tabs.
(Simulation, Variables, Results, etc.)
2. Click on the Variables tab. There you can see that the program has 3
loaded unit systems: EuroSI, Field, and SI (Default). By clicking on each
One of them shows a list of magnitudes with their respective units in each.
system. (Note that the units are in red, which means they cannot
to edit oneself)
3. If you wish to change any of those units, the tool must be used.
Clone. We select the unit system to clone and click on Clone. It will appear
 a new system named NewUser and both the name and its respective
Units appear in blue. This indicates that they can be edited to the user's liking.
Once the desired changes have been made, the unit system can be saved.
Clicking on Save Preferences Set.., which can later be loaded from this
same location.
5. After selecting the system of units to be used, close the window.

FIGURE 2

FIGURE 3
CREATING A NEW SIMULATION - SIMULATION BASIS MANAGER

Once the preferences are set, we need to specify the components, packages of
properties and, if necessary, reactions, hypothetical compounds, etc. For this we need to
create a new simulation. There are 3 ways to do it:

Select File/New/Case.
Press Ctrl+N.
Click on New Case in the toolbar.

Any of these actions will open a window called Simulation Basis Manager.
(Simulation base administrator) where all components are specified and
properties to be used.

FIGURE 4

In the Simulation Basis Manager, you can see tabs such as:

Components: allows loading the chemical compounds to be used in the simulation.

Fluid Pkgs: here you select the thermodynamic package that the program will use to
to estimate the properties of substances. Their selection is very important for
simulation should be as realistic as possible. Later, we will see the criteria to take into account.
Hypotheticals: allows the creation of hypothetical components and estimation of their properties.
example a carbocation C5 + )
Oil manager: is a tool that allows loading experimental data from
hydrocarbons and with these generates hypothetical components. (Example a naphtha)
 Reactions: this tab provides the possibility to load chemical reactions (conversion,
equilibrium, kinetics, heterogeneous catalysis) with their respective kinetic data, which then
you will use the program to simulate.

ADDING COMPONENTS TO THE SIMULATION

It is the first step to establish the simulation foundations. The next steps are:

1. Select the Components tab, click on the Add button.

2. This will lead to the Component List View window, which is the list of
all the compounds available in UniSim.

FIGURE 5

3. Select the desired components for the simulation. They can be searched according to
3 criteria:
a. Sim Name (Nombre en el simulador)
b. Full Name (Nombre completo)
c. Formula Tick the desired option and write in the box next to it
Match, the software will search for the compound in its database.
4. Once the desired component is located, you can double click on it or
about the <---Add Pure button to add it to the list of components of the simulation.
5. At the bottom of the components page, you can give a name to the list of
components.
6. Once completed, simply close the window. This will take you back to the Simulation.
Basis Manager.
SELECTING A FLUID PACKAGE

Once the components have been specified, the fluid package must be specified. The
fluid package is used to calculate the thermodynamic and transport properties of the
components and mixtures of the simulation (such as enthalpy, entropy, density, specific heat,
L-V balance, etc.) Therefore, the correct selection of the fluid package is very important.
Now we will see the procedure and then we will dedicate time to forming selection criteria.

1. Select the Fluid Pkgs tab in the Simulation Basis Manager

2. Click on the Add button to create a new fluid package as shown:

FIGURE 6

3. From the list of fluid packages, select the desired thermodynamic package.
The list can be reduced by selecting a filter (EOSs, activity models, etc.)
4. Once the desired model is located, select it by clicking.
5. The fluid package can be named at the bottom of the screen. (E.g. The name in the figure
5 is basis-1)
6. Finally, close the window.

SELECTION OF THE THERMODYNAMIC MODEL

The selection of the thermodynamic model may be the most important decision that one must make.
user at the time of performing a simulation. The errors in the simulation due to poor selection
The results of the physical properties model cannot be easily detected or prevented.
they seem correct, but they are not. Therefore, it is of vital importance to develop criteria that
help to choose the most suitable model or models for a specific problem.
In general, properties are calculated with state equations: EOS models, models of
activity coefficient: Models (gamma) and special models (theoretical correlations,
empirical or hybrid). The following table shows some models that can be found
in a commercial simulator.

EOS models can represent liquid and vapor phases, while gamma models
they represent only the liquid phase of the system. For this reason, they are used together with a
equation of state to represent vapor.

The selection criteria are based on the degree of non-ideality of the system under study and of the
operating conditions. Let's look at some simple ones:

EOS are applied to non-polar or slightly polar systems throughout the range of
pressure.
Activity coefficient models are used in systems that contain substances.
polars at low pressures (<10 bar). They are used for the liquid phase and are complemented with
EOS for the vapor phase. If the pressure is less than 5 bar, the equation of the
 ideal gases, on the other hand, if the pressure is between 5 and 10 bar, Peng is usually preferred
Robinson.
To model polar systems at high pressures, it is advisable to use EOS and change.
classical mixing rules by mixing rules based on coefficient models
of activity (excess free energy).

E.C. Carlson, an engineer on the AspenTech staff, in his paper titled 'Don’t
Gamble with Physical Properties for Simulations” (Do not gamble with physical properties for
simulations) proposes a selection method based on decision trees. These are
presenting the following:
Another useful diagram is the one that appears in 'Introductory Chemical Engineering Thermodynamics'.
de Elliot y Lira:

ENTERING THE SIMULATION ENVIRONMENT

You have the minimum information to start the simulation. In case there are reactions.
chemicals must be loaded in advance, but we will see this during the development of the
problems.

To enter the simulation environment click on the Enter Simulation button

Environment or in the icon located in the toolbar.
 FIGURE 7

Before proceeding, it is important to highlight some features of the window

simulation

1. UniSim Design, unlike most simulators, solves the flow diagram.

after each change in it. This feature can be disabled by clicking the button
Solver Holding (the red light button) located on the toolbar (see figure 7). If you
select this button, UniSim will not solve the simulation. To return to resolution mode,
You must select the Active Solver button (the green light button).

UniSim is capable of simultaneously resolving the information that is found both

downstream as upstream. Therefore, it is very important to pay attention to the
specifications of the entire diagram to ensure that it is not being provided to
conflicting information program. Otherwise, an error will occur.

RETURNING TO ENTER THE SIMULATION BASIS MANAGER

If you wish to re-enter the Simulation Basis Manager to change any information, just
Just click the button on the top toolbar.

ACCIDENTALLY CLOSE THE PFD

It often happens that the flow diagram is accidentally closed. To return go to

Tools/PFDs, and make sure Case is selected, and then click on View.
OBJECT PALETTE

It is the vertical bar that can be seen on the right in Figure 7. In it are found
currents of matter and energy and many of the unit operations that we will be using to
throughout the course. It is recommended to explore it a little to become familiar with it. In case
If not visible, press F4 or go to Flowsheet and select Palette.

ADDING MATERIAL FLOWS Material flows are used to

transport components from one process unit to another in the simulation. They can be
add in 3 ways:

1. Click on the blue arrow of the object palette.

2. Select the Flowsheet menu and then click on Add Stream.
3. Press F11.

FIGURE 8
SPECIFYING MATERIAL FLOWS

To enter information in a material stream, double click on the stream.

which is shown in Figure 8. Within this window is where the user specifies the
details of the current. For a material current, we need to specify 4 variables.

The 4 variables necessary to specify an input stream are: composition, flow, and
two of the following: temperature, pressure, or vapor fraction.

We see the window where the current data is entered:

 FIGURE 9

In figure 9, a yellow warning bar is observed indicating the information that is

It is needed. The program calculates the degrees of freedom according to the information that
It requires that the current be specified. When the degrees of freedom are 0, then the
the bar turns green and with a message of OK.

To complete the information, it is only necessary to follow the instructions given by UniSim. Select the
Composition option from the list that displays the window. The composition can be specified from
different ways by clicking on the Basis button... Then it is required to specify the temperature,
For that, we go back to the Conditions option, click on Temperature, and write the
desired value. Note that a list appears where you can choose the unit. Then you
request the pressure (Pressure) and finally the flow (Flow Rate). It is done in the same way.
Once the software is finished, it will indicate OK.

FIGURE 10
 STORING THE SIMULATION

Saving the simulation is very simple:

Go to File/Save As, choose a location and give it the desired name.

You can click on the button.

FINALIZING THE INTRODUCTION

This is how the introduction to UniSim Design R390 concludes. After following these steps, the
the person is already able to:

Start UniSim Design R390 and recognize its screen.

Configure the session preferences.
Crear una nueva simulación y manipular el Simulaton Basis Manager.
Recognize the importance of physical, thermodynamic, and transport properties
in process simulation.
Select the most appropriate thermodynamic options for each application.
Enter the simulation environment and recognize its options.
Add and specify material flows.