DWSIM/C2/Gibbs-Reactor/English

Visual Cue	Narration
Slide Number 1 Title Slide	Welcome to this tutorial on simulating a Gibbs Reactor in DWSIM.
Slide Number 2 Learning Objective	In this tutorial, we will learn to: Simulate a Gibbs Reactor Use different Minimization Methods Calculate Conversion percentage and Reaction extent Compare Equilibrium and Gibbs Reactor values
Slide Number 3 System Requirements	To record this tutorial, I am using DWSIM 5.2 (Classic UI) update 22 and Windows 10 The process demonstrated in this tutorial is identical in other OS also such as- Linux, Mac OS X or FOSSEE OS on ARM.
Slide Number 4 Pre-requisites	To practice this tutorial, you should know to- Add components to a flowsheet Select thermodynamic packages Add material and energy streams and specify their properties
Slide: Prerequisite Tutorials and Files www.spoken-tutorial.org	The prerequisite tutorials are mentioned on our website, spoken-tutorial.org. You can access these tutorials and all the associated files from this site.
Slide Number 5 Reaction and Inlet Condition Reaction: CO (g) + H2O (g) ⇔ H2 (g) + CO2 (g) Inlet Stream: Mass Flow: 3600 kg/h Mole Fraction(CO): 0.5 Mole Fraction(H2O): 0.5 Mole Fraction(H2): 0 Mole Fraction(CO2): 0 Temperature: 25 degree C Pressure: 1.01325 bar	Here we can see the problem statement of the earlier tutorial.
Slide Number 6 Property Package: Raoult’s Law Reaction Temperature: 225 degree C	This was solved using Equilibrium Reactor.
Cursor on the DWSIM interface. Cursor on equilibrium_reactor. dwxmz file.	Let us open the corresponding file in DWSIM. I have already opened DWSIM on my machine. I have already opened equilibrium_reactor. dwxmz file. This file can also be downloaded from the Code files link.
Save As >> Gibbs_reactor.	Let me save this as Gibbs_reactor. You can see that the file name has changed now to Gibbs_reactor.
Point to Gibbs Reactor.	We will solve the same problem using Gibbs Reactor as solved in Equilibrium Reactor. And compare results with that solved in Equilibrium Reactor.
Right click on Equilibrium Reactor >> Delete	Let us begin by replacing the Equilibrium Reactor with a Gibbs Reactor. Right click on the Equilibrium Reactor and select Delete.
Delete Equilibrium Reactor >> Yes	Click Yes to the prompt Delete Equilibrium Reactor.
	Now let us insert a Gibbs Reactor into the flowsheet.
Go to Flowsheet Objects>>Filter List tab Click and drag Gibbs Reactor to the flowsheet	Go to Flowsheet Objects. In the Filter List tab, type Gibbs Reactor. Drag and drop it to the flowsheet in the place of Equilibrium Reactor.
	Let us now arrange it as required.
Point to the reaction.	The reaction required to simulate Gibbs Reactor is already present. This is because the reaction was already defined while simulating the Equilibrium Reactor. So we need not define any new reaction.
Click Gibbs Reactor	We are now ready to specify the Gibbs Reactor. So let’s click on it.
Point to displaying properties.	On the left, we can see a tab displaying properties related to the Gibbs Reactor.
Go to Connections Click on drop down arrow against Inlet Stream Select Feed.	Under Connections, click on the drop-down against Inlet Stream and select Feed.
Click on drop down arrow against Outlet Stream 1 Select Vapour Product.	Next, click on the drop-down against Outlet Stream 1 and select Vapour Product.
Click on drop down arrow against Outlet Stream 2 Select Liquid Product.	Then, click on the drop-down against Outlet Stream 2 and select Liquid Product.
Click on the drop down against Energy Stream Select Energy.	After this, click on the drop-down against Energy Stream and select Energy.
Hover mouse at Calculation Parameters	Now go to the next section, Calculation Parameters.
Parameters >> Reaction Set >> Default Set	Under the tab Parameters, the first option is Reaction Set. By default, it is Default Set.
Click drop down against Calculation Mode Select Define Outlet Temperature	Next, click on the drop-down against Calculation Mode. Select Define Outlet Temperature.
Click drop down against Minimization Method Select Calculate Reaction Extents	Next, click on the drop-down against Minimization Method. Select Calculate Reaction Extents.
Point to Calculate Reaction Extents.	This procedure is similar to Equilibrium Reactor.
Outlet Temperature >> 225 degree C	Enter 225 degree C against Outlet Temperature.
Calculation Parameters >> Compounds	Next, click on Compounds tab.
Point to Compounds	This is to indicate the compounds that will react in the reaction. Under Compounds, check all the boxes against all the compounds.
	Now we will run the simulation.
Click Solve Flowsheet	So, from the toolbar, click on Solve Flowsheet button.
Click Gibbs Reactor	When the calculations are completed, click on the Gibbs Reactor in the flowsheet.
Point to Property Editor Window Hover mouse at Results	Go to the Property Editor Window of the Gibbs Reactor. Locate the Results section.
Results >> Reactions	Under the Reactions tab, check Extent. It is 20.043. This is the extent of the water gas shift reaction at 225 degree C. For the Equilibrium Reactor, it was 20.043 as well.
Results >> Conversions	Now, go to Conversions tab. We will look into the individual conversion of all the reactants. Here for Carbon monoxide, the conversion is 92.2478% and for Water, it is 92.2478%. For the Equilibrium Reactor, the conversions for both the compounds were 92.2478% as well.
	Let us now redo the simulation with the other available Minimization Method. This Minimization Method is called Direct Gibbs Energy Minimization.
	Let us go back to the slides.
Slide Number 7 Direct Gibbs Energy Minimization method	In this method, Equilibrium composition for the final Gibbs energy is at minimum. This method does not use any reaction to calculate the Gibbs energy. Rather it uses an Element Matrix that we are going to define later.
	Let us verify this.
Go to Calculations Parameters >> Parameters >> Reaction Set Point to Reaction Set option	The default reaction which is already set, has a reaction in it. So, let’s create a reaction set with no reaction.
Tools >> Reactions Manager Point to Chemical Reactions Manager	Under Tools, click on Reactions Manager. Chemical Reactions Manager window opens.
Reaction Sets >> Add New Reaction Set	Under Reaction Sets tab, click on the green coloured Add New Reaction Set button.
Point to DWSIM – Reaction Set Editor	DWSIM – Reaction Set Editor window opens.
Identification >> Name >> No Reaction	Under Identification, enter the Name as No Reaction.
At the bottom, Click on OK button Close Chemical Reactions Manager window.	At the bottom, click on OK button. And then close the Chemical Reactions Manager window.
Press Solve Flowsheet button.	Now press Solve Flowsheet button.
Point to Reaction set.	A reaction set with no reaction is created.
	Note that, this step of creating a reaction set with no reaction is not required. I am doing this to demonstrate that Direct Gibbs Energy Minimization method works without any reaction.
Click Gibbs Reactor	Once again click on the Gibbs Reactor.
Point to Calculation Parameters	Go to Calculation Parameters section.
Click drop down against Reaction Set Select No Reaction.	Then click on the drop-down against Reaction Set and select No Reaction.
Point to Calculation Mode	There will be no change in Calculation Mode. It will remain the same as Define Outlet Temperature.
Click drop down against Minimization Method Select Direct Gibbs Energy Minimization.	Next, click on the drop-down against Minimization Mode. Select Direct Gibbs Energy Minimization.
Point to Outlet Temperature	Again, there will be no change in Outlet Temperature. It will remain as 225 degree C.
Calculation Parameters >> Compounds	After this, go to Compounds tab. Note that, all the checkboxes are already selected.
Calculation Parameters >> Elements	Now go to Elements tab. In this tab, we will enter the required elements for the reaction. They are Hydrogen. Oxygen and Carbon. We will also specify the number of elements present in the selected compounds.
Configuration >> Add Element	Under Configuration, click on Add Element three times.
Matrix >> Element >> H	Under Matrix, we can see that three blank rows has been inserted. For the first blank row, enter H for Hydrogen.
Matrix >> Element >> O	For the next blank row, enter O for Oxygen.
Matrix >> Element >> C	For the last blank row, enter C for Carbon.
Point to the elements	All the elements have been added. Now, we will enter the number of elements for all the selected compounds.
Carbon monoxide >> H: 0, O: 1, C: 1.	Under Carbon monoxide column, enter: 0 for H 1 for O and 1 for C Then press Enter.
Water >> H: 2, O: 1, C: 0.	Similarly, under Water column, enter: 2 for H 1 for O and 0 for C Then press Enter.
Hydrogen >> H: 2, O: 0, C: 0.	Next, under Hydrogen column, enter: 2 for H 0 for O and 0 for C Then press Enter.
Carbon dioxide >> H: 0, O: 2, C: 1.	Similarly, under Carbon dioxide column, enter: 0 for H 2 for O and 1 for C Then press Enter.
Click on Save Changes button.	Click on Save Changes button.
	The element matrix is now complete.
	Now we will run the simulation.
Click Solve Flowsheet	So, from the toolbar, click on Solve Flowsheet button.
Click Gibbs Reactor	When the calculations are completed, click on the Gibbs Reactor in the flowsheet.
Point to Property Editor Window Hover mouse at Results	Go to the Property Editor Window of the Gibbs Reactor. Locate the Results section.
Results >> Conversions	Under Conversions tab, check the individual compounds conversion. Here for Carbon monoxide, the conversion is 92.2478% and for Water, it is 92.2478%.
Equilibrium Reactor other Minimization Methods in Gibbs Reactor.	In all the above explained methods, conversions for both the compounds was found to be 92.2478%
	Let's summarize.
Slide Number 6 Summary	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
Slide Number 7 Assignment Compounds: Nitrogen (N2) Hydrogen (H2) Ammonia (NH3) Property Package: Peng-Robinson Inlet stream: Mass Flow: 1000kg/h Mole Fraction(N2): 0.5 Mole Fraction(H2): 0.5 Mole Fraction(NH3): 0 Temperature: 425 degree C Pressure: 200 bar Reaction: N2 +3 H2 = 2 NH3	As an assignment, Repeat this simulation with different compounds and thermodynamics. Different feed conditions Different Minimization Methods
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Slide Number 11 DWSIM Flowsheeting Project	The FOSSEE team coordinates conversion of existing flow sheets into DWSIM. We give honorarium and certificates. For more details, please visit this site.
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Slide Number 14 Acknowledgements	Spoken Tutorial and FOSSEE projects are funded by NMEICT, MHRD, Government of India.
Slide Number 15 Thanks	This tutorial is contributed by Kaushik Datta and Priyam Nayak. Thanks for joining.

Contributors and Content Editors

Kaushik Datta, Nancyvarkey