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.
|
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. |