Difference between revisions of "DWSIM/C3/Heterogeneous-Catalytic-Reaction/English-timed"

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Latest revision as of 15:54, 30 April 2021

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.
15:33 Watch the video available at following link.

It summarizes the Spoken Tutorial project.

15:41 The Spoken Tutorial Project Team conducts workshops and gives certificates.

For more details, please write to us.

15:51 Please post your times queries in this forum.
15:56 The FOSSEE team coordinates conversion of existing flow sheets into DWSIM.
16:01 We give honorarium and certificates.

For more details, please visit this site.

16:08 The FOSSEE team coordinates coding of solved examples of popular books.
16:14 We give honorarium and certificates.

For more details, please visit this site.

16:22 The FOSSEE team helps migrate commercial simulator labs to DWSIM.
16:29 We give honorarium and certificates.

For more details, please visit this site.

16:37 Spoken Tutorial and FOSSEE projects are funded by NMEICT, MHRD, Government of India.
16:46 This tutorial is contributed by Kaushik Datta and Priyam Nayak.

Thanks for joining.

Contributors and Content Editors

PoojaMoolya

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