DWSIM/C2/Gibbs-Reactor/English-timed

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Time Narration
00:01 Welcome to this tutorial on simulating a Gibbs Reactor in DWSIM.
00:07 In this tutorial, we will learn to:
00:10 Simulate a Gibbs Reactor
00:13 Use different Minimization Methods
00:16 Calculate Conversion percentage and Reaction extent
00:20 Compare Equilibrium and Gibbs Reactor values
00:24 To record this tutorial, I am using

DWSIM 5.2 (Classic UI) update 22 and Windows 10

00:34 The process demonstrated in this tutorial is identical in other OS also such as-

Linux, Mac OS X or FOSSEE OS on ARM.

00:46 To practice this tutorial, you should know to-
00:49 Add components to a flowsheet
00:52 Select thermodynamic packages
00:56 Add material and energy streams and specify their properties
01:01 The prerequisite tutorials are mentioned on our website
01:06 You can access these tutorials and all the associated files from this site.
01:12 Here we can see the problem statement of the earlier tutorial.
01:17 This was solved using Equilibrium Reactor.
01:21 Let us open the corresponding file in DWSIM.
01:25 I have already opened DWSIM on my machine.
01:30 I have already opened Equilibrium underscore reactor dot dwxmz file.
01:37 This file can also be downloaded from the Code files link.
01:42 Let me save this as Gibbs underscore reactor.
01:48 You can see that the file name has changed now to Gibbs underscore reactor.
01:54 We will solve the same problem using Gibbs Reactor as solved in Equilibrium Reactor.

And compare results with that solved in Equilibrium Reactor.

02:05 Let us begin by replacing the Equilibrium Reactor with a Gibbs Reactor.
02:10 Right click on the Equilibrium Reactor and select Delete.
02:16 Click Yes to the prompt Delete Equilibrium Reactor.
02:20 Now let us insert a Gibbs Reactor into the flowsheet.
02:25 Go to Flowsheet Objects.
02:28 In the Filter List tab, type Gibbs Reactor.
02:32 Drag and drop it to the flowsheet in the place of Equilibrium Reactor.
02:37 Let us now arrange it as required.
02:41 The reaction required to simulate Gibbs Reactor is already present.
02:47 This is because the reaction was already defined while simulating the Equilibrium Reactor.
02:54 So we need not define any new reaction.
02:58 We are now ready to specify the Gibbs Reactor.

So let’s click on it.

03:05 On the left, we can see a tab displaying properties related to the Gibbs Reactor.
03:11 Under Connections, click on the drop-down against Inlet Stream and select Feed.
03:19 Next, click on the drop-down against Outlet Stream 1 and select Vapour Product.
03:27 Then, click on the drop-down against Outlet Stream 2 and select Liquid Product.
03:35 After this, click on the drop-down against Energy Stream and select Energy.
03:43 Now go to the next section, Calculation Parameters.
03:47 Under the tab Parameters, the first option is Reaction Set.

By default, it is Default Set.

03:56 Next, click on the drop-down against Calculation Mode.
04:00 Select Define Outlet Temperature.
04:03 Next, click on the drop-down against Minimization Method.
04:08 Select Calculate Reaction Extents.
04:12 This procedure is similar to Equilibrium Reactor.
04:16 Enter 225 degree C against Outlet Temperature.
04:22 Next, click on Compounds tab.
04:25 This is to indicate the compounds that will react in the reaction.
04:30 Under Compounds, check all the boxes against all the compounds.
04:36 Now we will run the simulation.
04:39 So, from the toolbar, click on Solve Flowsheet button.
04:44 When the calculations are completed, click on the Gibbs Reactor in the flowsheet.
04:50 Go to the Property Editor Window of the Gibbs Reactor.

Locate the Results section.

04:57 Under the Reactions tab, check Extent. It is 20.043.
05:03 This is the extent of the water gas shift reaction at 225 degree Centigrade.
05:09 For the Equilibrium Reactor, it was 20.043 as well.
05:14 Now, go to Conversions tab.
05:17 We will look into the individual conversion of all the reactants.
05:22 Here for Carbon monoxide, the conversion is 92.2478% and for Water, it is 92.2478%.
05:34 For the Equilibrium Reactor, the conversions for both the compounds were 92.2478% as well.
05:42 Let us now redo the simulation with the other available Minimization Method.
05:47 This Minimization Method is called Direct Gibbs Energy Minimization.
05:52 Let us go back to the slides.
05:55 In this method, Equilibrium composition for the final Gibbs energy is at minimum.
06:01 This method does not use any reaction to calculate the Gibbs energy.
06:06 Rather it uses an Element Matrix that we are going to define later.
06:12 Let us verify this.
06:15 The default reaction which is already set, has a reaction in it.
06:20 So, let’s create a reaction set with no reaction.
06:25 Under Tools, click on Reactions Manager.
06:30 Chemical Reactions Manager window opens.
06:34 Under Reaction Sets tab, click on the green coloured Add New Reaction Set button.
06:40 DWSIM – Reaction Set Editor window opens.
06:45 Under Identification, enter the Name as No Reaction.
06:51 At the bottom, click on OK button.
06:54 And then close the Chemical Reactions Manager window.
06:59 Now press Solve Flowsheet button.
07:02 A reaction set with no reaction is created.
07:06 Note that, this step of creating a reaction set with no reaction is not required.
07:12 I am doing this to demonstrate that Direct Gibbs Energy Minimization method works without any reaction.
07:19 Once again click on the Gibbs Reactor.
07:23 Go to Calculation Parameters section.
07:26 Then click on the drop-down against Reaction Set and select No Reaction.
07:34 There will be no change in Calculation Mode.
07:38 It will remain the same as Define Outlet Temperature.
07:42 Next, click on the drop-down against Minimization Method.
07:48 Select Direct Gibbs Energy Minimization.
07:52 Again, there will be no change in Outlet Temperature.
07:56 It will remain as 225 degree Centigrade.
08:00 After this, go to Compounds tab.
08:04 Note that, all the checkboxes are already selected.
08:09 Now go to Elements tab.
08:12 In this tab, we will enter the required elements for the reaction.
08:17 They are Hydrogen. Oxygen and Carbon.
08:22 We will also specify the number of elements present in the selected compounds.
08:28 Under Configuration, click on Add Element three times.
08:34 Under Matrix, we can see that three blank rows has been inserted.
08:40 For the first blank row, enter H for Hydrogen.
08:45 For the next blank row, enter O for Oxygen.
08:50 For the last blank row, enter C for Carbon.
08:55 All the elements have been added.
08:58 Now, we will enter the number of elements for all the selected compounds.
09:04 Under Carbon monoxide column, enter:

0 for H, 1 for O, and 1 for C. Then press Enter.

09:16 Similarly, under Water column, enter:

2 for H, 1 for O, and 0 for C. Then press Enter.

09:29 Next, under Hydrogen column, enter:

2 for H, 0 for O, and 0 for C. Then press Enter.

09:40 Similarly, under Carbon dioxide column, enter:

0 for H, 2 for O, and 1 for C. Then press Enter.

09:54 Click on Save Changes button.
09:57 The element matrix is now complete.
10:00 Now we will run the simulation.
10:03 So, from the toolbar, click on Solve Flowsheet button.
10:08 When the calculations are completed, click on the Gibbs Reactor in the flowsheet.
10:14 Go to the Property Editor Window of the Gibbs Reactor.

Locate the Results section.

10:21 Under Conversions tab, check the individual compounds conversion.
10:26 Here for Carbon monoxide, the conversion is 92.2478% and for Water, it is 92.2478%.
10:38 In all the above explained methods, conversions for both the compounds was found to be 92.2478%
10:47 Let's summarize.
10:49 In this tutorial, we have learnt to

Simulate a Gibbs Reactor, Use different Minimization Methods, Calculate Conversion percentage and Reaction extent, Compare Equilibrium and Gibbs Reactor values

11:05 As an assignment,

Repeat this simulation with different compounds and thermodynamics.

11:12 Different feed conditions , Different Minimization Methods
11:17 Watch the video available at the following link.

It summarizes the Spoken Tutorial project.

11:24 The Spoken Tutorial Project Team conducts workshops and gives certificates.

For more details, please write to us.

11:33 Please post your times queries in this forum.
11:37 The FOSSEE team coordinates conversion of existing flowsheets into DWSIM.
11:43 We give honorarium and certificates.

For more details, please visit this site.

11:50 The FOSSEE team coordinates coding of solved examples of popular books.
11:56 We give honorarium and certificates.

For more details, please visit this site.

12:03 The FOSSEE team helps migrate commercial simulator labs to DWSIM.
12:10 We give honorarium and certificates.

For more details, please visit this site.

12:16 Spoken Tutorial and FOSSEE projects are funded by NMEICT, MHRD, Government of India.
12:25 This tutorial is contributed by Kaushik Datta and Priyam Nayak.

Thanks for joining.

Contributors and Content Editors

PoojaMoolya