Welcome to this tutorial on Creating Reaction Set with Multiple Reactions in DWSIM.
In this tutorial, we will learn to:
Create Reaction Set with Multiple Reactions
Copy and reuse a Conversion Reaction
Use Create and Connect feature to auto create and connect Material Streams
To record this tutorial, I am using DWSIM 5.8 (Classic UI) Update 4 and Windows 10 OS
The process demonstrated in this tutorial is identical in other OS also such as- Linux, Mac OS X or FOSSEE OS on ARM.
To practice this tutorial, you should know to- Add material and energy streams and specify their properties.
Add Conversion Reaction
Specify Conversion Reactor parameters
The prerequisite tutorials are mentioned on our website.
You can access these tutorials and all the associated files from this site.
Multiple Reaction file used in the tutorial is provided as a Code file on this tutorial page.
Download the file from Code Files link. Make a copy and then use it while practising.
We will develop a flowsheet to determine the exit composition from Conversion Reactor with multiple reactions.
Here we give Property Package and Inlet Streams Conditions, as shown here.
Next, we give the Reactions and Reaction Conversion for Reaction 1 and 2.
Here we give the Reaction inputs for Reaction 3 and 4.
Next, we give the Conversion Reactor operating conditions.
The flowsheet to be created is shown here for ease of understanding.
I have already opened DWSIM on my machine.
Go to File menu and click on Open File.
I have already downloaded and extracted the file on my Desktop.
Select the file from the Desktop.
Let us now maximize the simulation window.
This file contains all the inlet material streams that enter the reactors.
Let us add the reactions first and create a reaction set for the reactors.
For this, click on Settings button on the toolbar.
Then click on Reactions Tab.
Under Chemical Reactions section, click on the green coloured Add Reaction button.
Then click on Conversion.
Add New Conversion Reaction window opens.
Under Identification, enter the Name as Reaction-1.
Now, let’s type the Description.
“Synthesis of Ethylbenzene from Ethylene and Benzene.”
Next part is a table of Components/Stoichiometry.
Under Include, check the check-boxes against: Ethylene, Benzene and Ethylbenzene
Under BC, check the Ethylene check box.
Under Stoic Coeff column, enter: -1 for Ethylene, -1 for Benzene and 1 for Ethylbenzene Then press Enter.
Then comes Conversion Reactions Parameters.
The Base comp is already indicated as Ethylene.
Select Phase as Mixture.
Now go to Conversion. As per the problem statement, enter 73.5 against Conversion.
At the bottom, click on the OK button.
Now, we will add the second reaction.
Under Chemical Reactions section, click on Add Reaction button.
Then click on Conversion.
Add New Conversion Reaction window opens.
Under Identification, enter the Name as Reaction 2.
Type the Description as “Synthesis of P-diethylbenzene from Ethylene and Benzene.”
Next, go to Components/Stoichiometry.
Under Include, check the check-boxes against: Ethylene, Benzene and P-diethylbenzene.
Under BC, check the Ethylene check box.
Under Stoic Coeff column, enter: -2 for Ethylene, -1 for Benzene and 1 for P-diethylbenzene. Then press Enter.
Now comes Conversion Reactions Parameters.
The Base comp is already indicated as Ethylene.
Select Phase as Mixture.
Now go to Conversion. As per the problem statement, enter 25.5 against Conversion.
At the bottom, click on the OK button.
Now, we will add the third reaction.
Under Chemical Reactions section, click on Add Reaction button.
Then click on Conversion.
Add New Conversion Reaction window opens.
Under Identification, enter the Name as Reaction-3.
Let’s type the Description. “Synthesis of Ethylbenzene from P-diethylbenzene and Benzene.”
Next part is a table of Components/Stoichiometry.
Under Include, check the check-boxes against: Benzene, Ethylbenzene and P-diethylbenzene
Under BC, check the P-diethylbenzene check box.
Under Stoic Coeff column, enter: -1 for Benzene, 2 for Ethylbenzene and -1 for P-diethylbenzene Then press Enter.
Next comes Conversion Reactions Parameters.
The Base comp is already indicated as P-diethylbenzene.
Select Phase as Mixture.
Now go to Conversion.
As per the problem statement, enter 22.13 against Conversion.
At the bottom, click on the OK button.
Now we will add the last reaction. Formation of Ethylbenzene from ethylene and benzene.
This reaction is similar to the first reaction but with a different conversion.
For this, we will not add a new reaction. We will copy the existing Reaction-1 and edit the required fields.
Select Reaction 1 and click on Copy Selected Reaction button.
We see that a new reaction is added named Reaction 11.
Double click on Reaction 11.
Edit Conversion Reaction window opens.
Under Identification, edit the Name as Reaction 4.
All the reaction details remain the same except Conversion.
Go to Conversion. As per the problem statement, enter 97 against Conversion.
At the bottom, click on the OK button.
Now, all the reactions are added.
Next we will create reaction sets with different reactions.
On the left side of Reactions tab, go to Reaction Sets.
Under Reaction Sets section, click on the green coloured Add New Reaction Set button.
DWSIM-Reaction Set Editor window opens.
Under Identification, enter the Name as Reactor-1.
Now type the Description as “Reactions for Reactor-1.”
Under Reactions section, click on the green coloured Add Reaction button.
All four reactions which we added, are being displayed.
Select Reaction 1 from the displayed reaction list.
Similarly click on Add Reaction button again and select Reaction 2.
The reaction set for Reactor 1 is ready.
At the bottom, click on the OK button.
We will follow a similar approach to add Reaction Set for Reactor 2.
Under Reaction Sets section, again click on the Add New Reaction Set button.
DWSIM-Reaction Set Editor window opens.
Under Identification, enter the Name as Reactor-2.
Now type the Description as “Reactions for Reactor-2.”
Under Reactions section, click on the Add Reaction button.
Select Reaction-3 from the displayed reaction list.
Similarly, select Reaction-4.
At the bottom, click on the OK button.
All the reaction sets are now ready.
Close the Settings window.
Now, go to the Flowsheet area.
Let’s create and connect the material streams to the unit operations.
To do this, we will use Create and Connect feature.
At the bottom of the main simulation window, go to Reactors tab.
Click on the Conversion Reactor displayed. Drag and drop it to the flowsheet.
Let’s change the name of the object to R-01.
Under Connections, click on the drop-down against Inlet Stream and select S-01.
Now, click on yellow coloured Create and Connect button against Outlet Stream 1.
A material stream MSTR 003 gets created and connected to R-01.
Similarly, click on Create and Connect button against Outlet Stream 2 and Energy Stream.
Now, let us arrange the streams properly.
This completes the stream connections.
Now we will specify the Calculation Parameters for R-01.
Go to Calculation Parameters.
Under Parameters tab, select Reaction Set as Reactor 1.
Select Calculation Mode as Define Outlet Temperature.
Change Outlet Temperature to 434 K and press Enter.
Now we will rename the outlet streams and energy stream from R-01.
Click on MSTR-003 and rename as Null-01.
Click on MSTR-004 and rename as S 02.
Click on ESTR-005 and rename as E 01.
Let us continue to the flowsheet.
At the bottom of the main simulation window, go to Mixers/Splitters tab.
Click on the Stream Mixer displayed. Drag and drop it to the flowsheet.
Change the name of the object to MIX-01.
Under Connections, click on the drop-down against Inlet Stream 1 and select S-03.
Next, click on drop-down against Inlet Stream 2 and select S-02.
Now click on Create and Connect button against Outlet Stream.
A material stream gets created and connected to the Outlet Stream of MIX-01.
Now, let us arrange the streams properly.
Click on MSTR-007 and rename as S 04.
Now, let us finish creating the flowsheet.
At the bottom of the main simulation window, go to Reactors tab.
Click on the Conversion Reactor displayed. Drag and drop it to the flowsheet.
Change the name of the object to R 02.
Under Connections, click on drop-down against Inlet Stream and select S 04.
Click on Create and Connect button against Outlet Stream 1, Outlet Stream 2 and Energy Stream.
Now, let us arrange the streams properly.
Let us finish specifying the calculation parameters for R 02.
Go to Calculation Parameters.
Under Parameters tab, select the Reaction Set as Reactor-2.
Select Calculation Mode as Define Outlet Temperature.
Change Outlet Temperature to 432 Kelvin and press Enter.
Now, click on MSTR-009 and rename it as Null-02.
Click on MSTR 010 and rename it as S 05.
Click on ESTR-011 and rename it as E 02.
This completes the flowsheet.
Now, we will run the simulation.
So, from the toolbar, click on the Solve Flowsheet button.
When the calculations are completed, click on the S 05 in the flowsheet.
Go to the Property Editor Window of S 05. Locate the Results tab.
Under Compounds tab, check the Amounts tab.
Change the Basis to Mass Flows. Check the Mass Flow Rate of all the compounds.
Here for Ethylene, the mass flow rate is 0.001 kg/second , for Benzene, it is 20.903 kg/second.
For Ethylbenzene it is 20.252 kg/second and for P-diethylbenzene it is 13.842 kg/s.
I have tabulated these results in a slide.
Let's summarize.
In this tutorial, we have learnt to
Create Reaction Set with Multiple Reactions
Copy and Reuse a Conversion Reaction
Use Create and Connect feature to auto create and connect Material Streams
As an assignment, do the following: Find out, Which reactions are added in the Default Set available under the Reaction Sets?
What happens when Calculation Mode for R-01 is set to Isothermal?
What happens when Calculation Mode for R-02 is set to Adiabatic?
What happens when Phase for the Reactions is changed to Liquid?
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This tutorial is contributed by Kaushik Datta and Priyam Nayak. Thanks for joining.