DWSIM/C3/Heterogeneous-Catalytic-Reaction/English-timed

Time	Narration
00:01	Welcome to this tutorial on Simulating a PFR using Heterogeneous Catalytic Reaction in DWSIM.
00:09	In this tutorial, we will learn to: Define a Heterogeneous Catalytic reaction
00:15	Define parameters for Plug Flow Reactor required to simulate a HCR
00:21	Calculate Conversion and Residence time for HCR in a PFR
00:27	To record this tutorial, I am using DWSIM 5.6 (Classic UI) Update 8 and Windows 10
00:37	The process demonstrated in this tutorial is identical in other OS also such as- Ubuntu Linux, Mac OS X or FOSSEE OS on ARM.
00:48	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.
01:02	The prerequisite tutorials are available on this website.
01:07	You can access these tutorials and all the associated files from this site.
01:13	We will develop a flowsheet to determine the exit composition from an Isothermal PFR with Heterogeneous Catalytic Reaction.
01:21	Here we give Inlet stream conditions, Property package and Reactor Parameters.
01:27	Next, we give the Catalyst properties and Gas constant.
01:32	Now we give the reaction rate and its coefficients.
01:37	Here we give the reaction rate coefficients.
01:41	Before we start the simulation, we will simplify the rate expression.
01:46	We will substitute the coefficients in the rate for the numerator and denominator separately.
01:53	This will be helpful when we have to enter the reaction rate for Heterogeneous Catalytic reaction.
02:00	In the rate expression, we will assign the variables for partial pressure of reactants and products.
02:07	R corresponds to reactants.
02:10	Partial pressure of Methane is R1 and Water is R2.
02:16	P corresponds to products.
02:19	So the partial pressure of Hydrogen is P1 and Carbon monoxide(CO) is P2.
02:26	The numerator term in the rate expression is this.
02:31	Substituting the values of small k1, capital K1 and partial pressure terms, the numerator becomes like this.
02:40	The denominator term in the rate expression is this.
02:45	Substituting the values of rate coefficients and partial pressure terms, the denominator becomes like this.
02:54	We have simplified the rate expression to be entered in DWSIM. Now we will start the simulation.
03:02	I have already opened DWSIM.
03:07	Go to File menu and select New Steady-state Simulation.
03:12	Simulation Configuration Wizard window appears.
03:16	Click on Next button at the bottom.
03:20	First, we will add the compounds.
03:23	In the Compounds Search tab, type Methane.
03:27	Select Methane from ChemSep database.
03:31	Next, add Water from ChemSep database.
03:36	Then, add Hydrogen from ChemSep database.
03:41	Next, add Carbon monoxide from ChemSep database.
03:46	Next, add Carbon dioxide from ChemSep database. Now, all the compounds are added.
03:54	Click on Next button at the bottom.
03:58	Now comes Property Packages.
04:01	From Available Property Packages list, double-click on Peng-Robinson (PR) option.
04:07	Then click on the Next button at the bottom.
04:11	Next option is System of Units.
04:15	Under System of Units, we will select C5.
04:20	Then at the bottom, click on the Finish button.
04:24	Let us maximize the simulation window.
04:27	Now let's insert a feed stream that enters the Reactor.
04:32	At the bottom of the main simulation window, go to Streams.
04:36	From the displayed list, drag and drop a Material Stream to the Flowsheet.
04:41	Click on the material stream named MSTR-000.
04:47	Let’s change the name of this stream to Feed.
04:51	Now we will specify the Feed stream properties.
04:56	Go to Input Data. Under Stream Conditions tab, select Flash Spec as Temperature and Pressure (TP), if not already selected.
05:06	By default, Temperature and Pressure are already selected as Flash Spec.
05:12	Change Temperature to 730 degree Centigrade and press Enter.
05:18	Change Pressure to 1.01325 bar and press Enter.
05:25	Change Mass Flow to 300 kg per hour and press Enter.
05:31	Now let us specify the Feed stream compositions.
05:36	For this under Input Data click on Compound Amounts tab.
05:41	Choose the Basis as Mole Fractions, if not already selected.
05:46	By default, Mole Fractions is already selected as Basis.
05:51	Now for Methane, enter the Amount as 0.4975 and press Enter.
05:59	For Water, enter 0.4975 and press Enter.
06:06	For Hydrogen, enter 0.005 and press Enter.
06:12	For Carbon monoxide, enter 0 and press Enter.
06:17	For Carbon dioxide, enter 0 and press Enter.
06:22	On the right, click on the Accept Changes button.
06:26	Now we will define the Heterogeneous Catalytic Reaction.
06:30	Under Tools, click on Reactions Manager. Chemical Reactions Manager window opens.
06:39	Under Chemical Reactions tab, click on the green coloured Add Reaction button.
06:45	Click on Heterogeneous Catalytic.
06:49	Heterogeneous Catalytic Reaction window opens.
06:53	Under Identification, enter the Name as Steam Reforming.
06:59	Next, type the Description as, “Catalytic Reaction for Steam Reforming”
07:06	Next part is a table of Components and Stoichiometry.
07:11	First column Name, shows the available components here.
07:16	Second column corresponds to its Molar Weight.
07:20	Third column corresponds to its Heat of Formation.
07:24	Next column is Include. Under Include, check the check boxes against Methane, Water, Hydrogen and Carbon monoxide.
07:38	Carbon dioxide doesn’t take part in this reaction. We will keep it unchecked.
07:45	Fourth column is BC.
07:48	Under BC, check the Methane check box as Methane is the base component.
07:54	Next column is SC (stoichiometric coefficient)
07:59	Under SC column, enter -1 for Methane, -1 for Water, 3 for Hydrogen, 1 for Carbon monoxide, 0 for Carbon dioxide Then press Enter.
08:18	In the Stoichiometry field, we can see it is showing OK.
08:23	Here the Equation field shows the reaction equation.
08:27	Next part is Heterogeneous Kinetic Reaction Parameters.
08:32	Select Basis as Partial Pressures.
08:36	Select Phase as Vapor.
08:40	We will leave Tmin and Tmax field as unchanged.
08:46	Now we will specify the reaction rate.
08:50	Go to Reaction Rate = Numerator upon Denominator.
08:56	The reaction rate is to be entered separately as Numerator and Denominator.
09:01	We have already simplified the Numerator and Denominator part separately.
09:07	We will enter the Numerator part first. Type the equation as shown here.
09:16	Now we will enter the Denominator part. Type the equation as shown here.
09:23	Now we will specify the units for Amount and Velocity.
09:29	Select Amount Unit as atmosphere from the drop-down.
09:35	The Reaction Rate is expressed in terms of Partial Pressure, whose unit is atmosphere.
09:42	From the drop-down select Velocity Unit as kmol per kg hour. This is the unit for the Reaction Rate.
09:52	Click on the OK button at the bottom.
09:56	Now go to the Flowsheet area.
09:59	We will use a Plug Flow Reactor for the simulation.
10:03	At the bottom of the main simulation window, go to Reactors tab.
10:08	Drag and drop a Plug-Flow Reactor(PFR) to the flowsheet area.
10:12	Let us arrange it as required.
10:15	And then let us insert one Output Stream.
10:19	To do that let us drag one Material Stream.
10:24	Let us once again arrange it in the flowsheet.
10:28	Leave that stream as unspecified.
10:32	We will change the name of this stream to Product.
10:37	Let us now insert one Energy Stream.
10:41	Name this stream as Energy.
10:44	We are now ready to specify the Plug-Flow Reactor. So let’s click on it.
10:50	On the left, we can see a tab displaying properties related to the PFR.
10:56	Under Connections, click on the drop down against Inlet Stream. Select Feed.
11:04	Click on the drop down against Outlet Stream and select Product.
11:11	Click on the drop down against Energy Stream and select Energy.
11:18	Now, go to the Calculation Parameters.
11:22	In this section, the first option is Reaction Set.
11:27	By default, it is Default Set. Since we have only one reaction, we leave it as it is.
11:35	Click on the drop down against Calculation Mode and select Isothermic.
11:42	Click on the field against Reactor Volume and enter 1 m3.(meter cube) and press Enter.
11:50	Click on the field against Reactor length and enter it as 1 meter. Then press Enter.
11:59	Click on the field against Catalyst Loading and enter it as 0.386 kg per meter cube and press Enter.
12:10	Click on the field against Catalyst Particle Diameter and enter it as 2 millimeter and press Enter.
12:19	Click on the field against Catalyst Void Fraction and enter it as 0.4. Then press Enter.
12:29	Wait for a few seconds. The flowsheet is getting simulated.
12:34	Once again, we will run the simulation.
12:37	To do this, click on Solve Flowsheet button.
12:41	When calculations are completed, click on the PFR in the flowsheet.
12:46	Locate Results section.
12:49	Under General tab, check Residence time. It is 0.00068 hour.
12:56	Under Conversions tab, check conversion for both the reacting compounds.
13:02	For Methane, the conversion is 80.67% and for Water, it is 80.67%.
13:11	To check the material balances go to insert option from the toolbar. Select Master property table
13:21	Double click on the Master property table to edit it.
13:25	Configure Master property table window opens
13:29	Enter the name as Stream Wise Results Heterogeneous catalytic Reaction
13:35	Type Object type as material stream By default material stream is already selected so we will not change it
13:45	Under Property to Display select object as Feed and Product
13:51	Under Property select the properties as Temperature, Pressure, Mass Flow, Molar Flow
14:05	Molar Flow Mixture Methane, Mass flow mixture Methane
14:12	Molar Flow Mixture Water, Mass flow mixture Water
14:19	Molar Flow Mixture Hydrogen, Mass flow mixture Hydrogen
14:26	Molar Flow Mixture Carbon monoxide, Mass flow mixture Carbon Monoxide
14:34	Molar Flow Mixture Carbon dioxide, Mass flow mixture Carbon dioxide
14:41	Close this window
14:44	Move the Master Property Table for better visibility
14:49	Here we can see the corresponding results for Product and Feed
14:56	Let's summarize.
14:58	In this tutorial, we have learnt to Define a Heterogeneous Catalytic reaction, Define parameters for Plug Flow Reactor required to simulate a HCR, Calculate Conversion and Residence time for HCR in a PFR
15:15	As an assignment, Add two more Heterogeneous Catalytic reactions for the existing PFR system.
15:22	Feed Stream conditions and Plug-Flow Reactor parameters remain unchanged.
15:28	Here we give the reaction rates and its coefficients.
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15:56	The FOSSEE team coordinates conversion of existing flow sheets into DWSIM.
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16:46	This tutorial is contributed by Kaushik Datta and Priyam Nayak. Thanks for joining.

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