DWSIM/C2/Equilibrium-Reactor/English-timed

Time	Narration
00:01	Welcome to this tutorial on simulating an Equilibrium Reactor in DWSIM.
00:07	In this tutorial, we will learn to:
00:10	Define an Equilibrium Reaction
00:13	Simulate an Equilibrium Reactor
00:16	Calculate Conversion percentage and Reaction Extent
00:20	To record this tutorial, I am using
00:23	DWSIM 5.2 (Classic UI) update 22 and Windows 10
00:30	The process demonstrated in this tutorial is identical in other OS also such as- Linux, Mac OS X or FOSSEE OS on ARM.
00:41	To practice this tutorial, you should know to- Add components to a flowsheet.
00:47	select thermodynamic packages.
00:50	add material and energy streams and specify their properties.
00:56	The prerequisite tutorials are mentioned on our website.
01:01	You can access these tutorials and all the associated files from this site.
01:07	We will develop a flowsheet to determine the exit composition from an Equilibrium Reactor.
01:14	Here we give Reaction and Inlet Stream Conditions.
01:19	Here we give Property Package and Reaction Temperature.
01:24	I have already opened DWSIM on my machine.
01:28	Go to File menu and select New Steady-state Simulation.
01:35	Simulation Configuration Wizard window appears.
01:39	Click on Next button at the bottom.
01:43	In the Compounds search tab, type Carbon monoxide.
01:48	Select Carbon monoxide from the ChemSep database.
01:52	Similarly, add Water.
01:56	Similarly, add Hydrogen.
02:00	Next, add Carbon Dioxide.
02:04	And then at the bottom, click on the Next button.
02:09	The Property Packages opens.
02:12	From Available Property Packages list, double-click on Raoult’s Law.
02:18	Then click on the Next button.
02:22	We will be moved to a new window named Flash Algorithm.
02:27	From Default Flash Algorithm, select Nested Loops(VLE).
02:33	Click on the Next button.
02:36	The next option is System of Units.
02:40	Under System of Units, we will select C5.
02:46	Then at the bottom, click on the Finish button.
02:51	Let us now maximize the simulation window.
02:55	Now let’s insert a feed stream that enters the Equilibrium Reactor.
03:00	On the right hand side of the main simulation window, go to Flowsheet Objects.
03:06	In the Filter List tab, type Material Stream.
03:11	From the displayed list, drag and drop a Material Stream to the Flowsheet.
03:17	Let’s change the name of this stream to Feed.
03:21	Now we will specify the Feed stream properties.
03:26	Go to Input Data.
03:29	Under Stream Conditions tab, select Flash Spec as Temperature and Pressure (TP), if not already selected.
03:38	By default, Temperature and Pressure are already selected as Flash Spec.
03:44	Change Temperature to 25 degree Centigrade and press Enter.
03:40	Change Pressure to 1.01325 bar and press Enter.
03:58	Change Mass Flow to 3600 kg per hour and press Enter.
04:05	Now let us specify the feed stream compositions.
04:10	Under Input Data, click on Compound Amounts tab.
04:15	Choose the Basis as Mole Fractions, if not already selected.
04:20	By default, Mole Fractions is selected as Basis.
04:25	Now for Carbon monoxide, enter the Amount as 0.5 and press Enter.
04:33	For Water, type 0.5 and press Enter.
04:38	For Hydrogen, type 0 and press Enter.
04:43	Similarly, for Carbon dioxide, type 0 and press Enter.
04:50	At the bottom, click on Commit New Values button.
04:56	Next, we will define the Equilibrium Reaction.
04:59	Under Tools, click on Reactions Manager.
05:04	Chemical Reactions Manager window opens.
05:08	Under Chemical Reactions tab, click on the green coloured Add Reaction button.
05:15	Then click on Equilibrium.
05:18	Add New Equilibrium Reaction window opens.
05:22	Under Identification, enter the Name as Water Gas Shift Reaction.
05:29	Let’s enter the Description. “Reaction of carbon monoxide and water vapor to form carbon dioxide and hydrogen.”
05:40	Next part is the table of Components and Stoichiometry.
05:45	The first column Name shows the available components here.
05:50	The second column corresponds to its Molar Weight.
05:54	The next column is Include. Under Include, check all the check boxes.
06:02	The fourth column is BC. Under BC, check the Carbon monoxide check box as conversion is defined in terms of Carbon monoxide.
06:14	Next column is Stoichiometric Coefficients
06:18	Under Stoichiometric Coefficients column, enter: -1 for Carbon monoxide
06:25	-1 for Water
06:28	1 for Hydrogen and
06:31	1 for Carbon dioxide Then press Enter.
06:36	In the Stoichiometry field, we can see it shows OK.
06:41	It means the reaction is balanced after entering the stoichiometric coefficients.
06:47	Here the Equation field shows the reaction equation.
06:51	Then comes Equilibrium Reactions Parameters.
06:55	The Basis is already selected as fugacity.
06:59	Select Phase as Vapor.
07:03	Now, go to Equilibrium Constant .
07:07	In an Equilibrium Reaction, the equilibrium constant can be defined in three different ways.
07:14	First is Gibbs Energy of Reaction.
07:18	If the equilibrium constant is unknown, it is calculated directly from Gibbs energy of reaction.
07:25	Second is T function.
07:28	Here the equilibrium constant can be defined as a function of temperature. It is in the form of ln Keq f of T.
07:39	Third is Constant value where the equilibrium constant is defined directly.
07:45	Here, we don't know the equilibrium constant directly or as a function of temperature.
07:52	So, we will let it calculate from the Gibbs energy of reaction. Select Calculate from Gibbs Energy of Reaction.
08:02	Click on OK at the bottom. And then close the Chemical Reactions Manager window.
08:09	Now let us insert an Equilibrium Reactor to the flowsheet.
08:14	Go to Flowsheet Objects.
08:17	In the Filter List tab, type Equilibrium Reactor.
08:22	Drag and drop Equilibrium Reactor to the flowsheet.
08:26	Let us arrange it as required.
08:29	Next, name the reactor as Equilibrium Reactor.
08:34	Now let’s insert two more material streams that exit the Equilibrium Reactor.
08:41	To do that, let us drag one Material Stream to the flowsheet.
08:47	Let us now arrange it.
08:50	We will leave that stream as unspecified.
08:54	Then we will change the name of this stream to Vapour Product.
09:00	Next, we will insert another Material Stream.
09:04	Let us once again arrange it.
09:07	Leave that stream as unspecified.
09:10	And name this stream as Liquid Product.
09:14	Next, we will insert one Energy Stream.
09:20	And name this stream as Energy.
09:24	We are now ready to specify the Equilibrium Reactor. So let’s click on it.
09:31	On the left, we can see a tab displaying properties related to the Equilibrium Reactor.
09:38	Under Connections, click on the drop-down against Inlet Stream. And select Feed.
09:46	Next, click on the drop-down against Outlet Stream 1 and select Vapour Product.
09:54	Next, click on the drop-down against Outlet Stream 2 and select Liquid Product.
10:02	Next click on the drop-down against Energy Stream and select Energy.
10:10	Now we will go to the next section, Calculation Parameters.
10:16	Here, the first option is Reaction Set.
10:21	This option is selected as Default Set.
10:25	Next, click on the drop-down against Calculation Mode.
10:30	Select Define Outlet Temperature.
10:34	Enter 225 degree C against Outlet Temperature.
10:40	Now we will run the simulation.
10:43	So, click on Solve Flowsheet button on the toolbar.
10:48	Once the calculation are complete, click on the Equilibrium Reactor in the flowsheet.
10:54	Go to the Property Editor Window of the Equilibrium Reactor. Locate Results section.
11:02	Under Reactions tab, check Extent. It is 20.043.
11:08	This is the extent of the water gas shift reaction at 225 degree Centigrade.
11:14	Now go to the Conversions tab.
11:17	We will look into the individual conversions of all the reactants.
11:22	Here for Carbon monoxide, the conversion is 92.2478% and for Water it is 92.2478%.
11:34	Now, go to Insert menu and select Master Property Table.
11:40	Double-click on the Master Property Table.
11:44	Configure Master Property Table window opens.
11:48	Enter Name as Stream Wise Results Equilibrium Reactor.
11:54	Enter Object Type as Material Stream.
11:58	By default, Material Stream is already selected. So we will not change it.
12:04	Under Properties to display, select Object as Feed, Vapour Product and Liquid Product.
12:14	Under Property, scroll down to see all the parameters.
12:20	Now select the properties as Temperature, Pressure, Mass Flow , Molar Flow
12:32	Molar Flow (Mixture) / Carbon monoxide
12:36	Mass Flow (Mixture) / Carbon monoxide
12:40	Molar Flow (Mixture) / Water
12:43	Mass Flow (Mixture) / Water
12:46	Molar Flow (Mixture) / Hydrogen
12:49	Mass Flow (Mixture) / Hydrogen
12:54	Molar Flow (Mixture) / Carbon dioxide
12:57	Mass Flow (Mixture) / Carbon dioxide
13:01	Let’s close this window.
13:04	Move the Master Property Table for better visibility.
13:10	Here we can see the corresponding results for Vapour Product, Liquid Product and Feed.
13:17	The reaction is a Vapour Phase reaction.
13:21	So, we can see that Liquid Product stream shows zero flow rate and composition.
13:28	Let's summarize.
13:30	In this tutorial, we have learnt to Define an Equilibrium Reaction, Simulate an Equilibrium Reactor, Calculate Conversion percentage and Reaction extent
13:42	As an assignment, Repeat this simulation with different compounds and thermodynamics.
13:48	Different feed conditions Different Calculation Parameters
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15:01	This tutorial is contributed by Kaushik Datta and Priyam Nayak. Thanks for joining.

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PoojaMoolya