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Time Narration
00:01 Welcome to this tutorial on simulating a Conversion Reactor in DWSIM.
00:07 In this tutorial, we will learn to:
00:10 Define a Conversion Reaction
00:13 Simulate a Conversion Reactor
00:16 Calculate Conversion percentage from Conversion function
00:21 To record this tutorial, I am using

DWSIM 5.2 (Classic UI) and Windows 10

00:31 The process demonstrated in this tutorial is identical in other OS also such as-

Linux, Mac OS X or FOSSEE OS on ARM.

00:43 To practice this tutorial, you should know to-
00:47 Add components to a flowsheet.
00:50 Select thermodynamic packages.
00:53 Add material and energy streams and specify their properties.
00:58 The prerequisite tutorials are mentioned on our website.
01:03 You can access these tutorials and all the associated files from this site.
01:09 We will develop a flowsheet to determine the exit composition from an isothermal Conversion Reactor.
01:17 Here we give Reaction, Property Package and Inlet Stream Conditions.
01:23 Next, we give Reaction Parameter and Reaction Conversion.
01:28 I have already opened DWSIM on my machine.
01:33 Go to File menu and select New Steady-state Simulation.
01:40 Simulation Configuration Wizard window appears.
01:44 At the bottom, click on the Next button.
01:48 Now, in the Compounds Search tab, type Carbon monoxide.
01:54 Select Carbon monoxide from ChemSep database.
01:58 Similarly, add Hydrogen.
02:02 Next, add Methanol.
02:05 And then at the bottom, click on the Next button.
02:10 The Property Packages opens.
02:13 From Available Property Packages list, double-click on Raoult’s Law.
02:19 Then click on the Next button.
02:23 We are moved to a new window named Flash Algorithm.
02:28 From Default Flash Algorithm select Nested Loops(VLE)
02:35 Click on the Next button.
02:38 The next option is System of Units.
02:42 Under System of Units, we will select C5.
02:47 Then at the bottom, click on the Finish button.
02:52 Let us now maximize the simulation window.
02:56 Now let’s insert a feed stream that enters the Conversion Reactor.
03:01 On the right hand side of the main simulation window, go to Flowsheet Objects.
03:08 In the Filter List tab, type Material Stream.
03:13 From the displayed list, drag and drop a Material Stream to the Flowsheet.
03:19 Let’s change the name of this stream to Feed.
03:24 Now we will specify the Feed stream properties.
03:29 Go to Input Data.
03:32 Select Flash Spec as Temperature and Pressure (TP), if not already selected.
03:38 default, Temperature and Pressure are already selected as Flash Spec.
03:45 Change Temperature to 320 degree Centigrade and press Enter.
03:52 Change Pressure to 70 bar and press Enter.
03:58 Change Mass Flow to 1500 kg per hour and press Enter.
04:04 Now let us specify the feed stream compositions.
04:09 Under Composition, choose the Basis as Mole Fractions, if not already selected.
04:18 By default, Mole Fractions is already selected as Basis.
04:24 Now for Carbon monoxide, enter the Amount as 0.2 and press Enter.
04:33 For Hydrogen, enter 0.8 and press Enter.
04:40 Similarly, for Methanol, enter 0 and press Enter.
04:47 On the right, click on this green tick to Accept Changes.
04:52 Next, we will define the Conversion Reaction.
04:56 Under Tools, click on Reactions Manager.
05:02 Chemical Reactions Manager window opens.
05:06 Under Chemical Reactions tab, click on the green coloured Add Reaction button.
05:13 Then click on Conversion.
05:16 Add New Conversion Reaction window opens.
05:20 Under Identification, enter the Name as Methanol Synthesis.
05:27 Now let’s enter the Description.
05:31 Synthesis of Methanol from Carbon monoxide and Hydrogen.”
05:37 Next part is a table of Components/Stoichiometry.
05:42 The first column Name shows the available components here.
05:47 The second column corresponds to its Molar Weight.
05:51 The next column is Include.

Under Include, check all the check-boxes.

05:58 The fourth column is BC.
06:01 Under BC, check the Carbon monoxide check box as conversion is defined in terms of Carbon monoxide.
06:10 Next column is Stoichiometric coefficients
06:14 Under Stoichiometric coefficients column, enter: -1 for Carbon monoxide , -2 for Hydrogen and 1 for Methanol. Then press Enter.
06:29 In the Stoichiometry field, we can see it shows OK.
06:34 So the reaction is balanced after entering the stoichiometric coefficients.
06:40 Here the Equation field shows the reaction equation.
06:45 Then comes Conversion Reactions Parameters.
06:49 The Base comp is already indicated as Carbon monoxide.
06:54 Select Phase as Vapor.
06:58 Now go to Conversion.
07:01 In a Conversion Reaction, conversion can be defined in two ways.
07:06 First, conversion is defined directly as percentage (%).
07:11 Suppose, it is provided that reactant undergoes 50% conversion.
07:18 Then we have to enter 50 against Conversion.
07:23 Secondly, conversion can be defined as a function of temperature.
07:29 As per the problem statement, conversion function is given as

267.45 minus 0.591 into T where T is in degree Celsius.

07:45 But in the reaction manager, it can be seen that T is in Kelvin.
07:51 So we will modify the function and enter the conversion as 267.45 minus 0.591 into in bracket T minus 273.15
08:08 This “-273.15” is to incorporate the change in temperature from Kelvin to Degree Celsius.
08:17 At the bottom, Click on OK button.

And then close the Chemical Reactions Manager window.

08:25 Now let us insert a Conversion Reactor to the flowsheet.
08:30 Go to Flowsheet Objects.
08:33 In the Filter List tab, type Conversion Reactor.

Drag and drop it to the flowsheet.

08:42 Let us now arrange it as required.
08:47 And name this reactor as Conversion Reactor.
08:51 Now let’s insert two more material streams that exit the Conversion Reactor.
08:58 To do that, let us drag one Material Stream to the flowsheet.
09:03 Let us now arrange it.
09:06 We will leave that stream as unspecified.
09:10 Then we will change the name of this stream to Vapour Product.
09:16 Next, we will insert another Material Stream.
09:20 Let us once again arrange it.
09:23 Leave that stream as unspecified.

And name this stream as Liquid Product

09:30 Next, we will insert one Energy Stream. And name this stream as Energy.
09:39 We are now ready to specify the Conversion Reactor.

So let’s click on it.

09:47 On the left, we can see a tab displaying properties related to Conversion Reactor.
09:54 Under Connections, click on the drop-down against Inlet Stream.

And select Feed.

10:02 Next, click on the drop-down against Outlet Stream 1 and select Vapour Product.
10:10 Next, click on the drop-down against Outlet Stream 2 and select Liquid Product.
10:18 Then click on the drop-down against Energy Stream and select Energy.
10:26 Now go to the next section, Calculation Parameters.
10:31 Here, the first option is Reaction Set.

By default, it is Default Set.

10:37 Next, click on the drop-down against Calculation Mode and select Isothermic.
10:45 Now we will run the simulation.
10:48 So, from the toolbar, click on Solve Flowsheet button.
10:53 When the calculations are completed, click on the Conversion Reactor in the flowsheet.
11:00 Go to the Property Editor Window of the Conversion Reactor.
11:06 Locate Results section.
11:08 Under the Reactions tab, check Conversion.

It is 78.33 %.

11:16 This is the conversion of the base component of the reaction.
11:21 In this case, it is conversion of Carbon monoxide.
11:26 Now, go to Conversions tab.

We will look into the individual conversion of all the reactants.

11:34 Here for Carbon monoxide, the conversion is 78.33% and for Hydrogen, it is 39.16%.
11:45 Now, go to Insert menu and select Master Property Table.
11:52 Double-click on the Master Property Table.
11:56 Configure Master Property Table window opens.
12:00 Enter Name as Stream Wise Results.
12:04 Enter Object Type as Material Stream. By default, Material Stream is already selected. So we will not change it.
12:14 Under Properties to display, select Object as Feed, Vapour Product and Liquid Product.
12:24 Under Property, scroll down to see all the parameters.
12:30 Now select the properties as

Temperature , Pressure , Mass Flow

12:39 Molar Flow
12:42 Molar Fraction (Mixture) / Carbon monoxide
12:46 Molar Flow (Mixture) / Carbon monoxide
12:51 Molar Fraction (Mixture) / Hydrogen
12:55 Molar Flow (Mixture) / Hydrogen
13:00 Molar Fraction (Mixture) / Methanol
13:04 Molar Flow (Mixture) / Methanol
13:08 Let’s close this window.
13:11 Move the Master Property Table for better visibility.
13:16 Here, we can see the corresponding results for Vapour Product, Liquid Product and Feed.
13:26 The reaction is a Vapour Phase reaction.
13:29 So, we can see that Liquid Product stream shows zero flow rate and composition.
13:36 Let's summarize.
13:38 In this tutorial, we have learnt to

Define a Conversion Reaction, Simulate a Conversion Reactor, Calculate Conversion percentage from Conversion function

13:51 As an assignment,

Repeat this simulation with different compounds and different Conversion

13:59 Different Property Package, Different feed conditions
14:04 Watch the video available at following link.

It summarizes the Spoken Tutorial project.

14:10 The Spoken Tutorial Project Team, Conducts workshops and Gives certificates.

For more details, please write to us.

14:19 Please post your times queries in this forum.
14:23 The FOSSEE team coordinates conversion of existing flow sheets into DWSIM.
14:29 We give honorarium and certificates.

For more details, please visit this site.

14:36 The FOSSEE team coordinates coding of solved examples of popular books.
14:42 We give honorarium and certificates.

For more details, please visit this site.

14:49 The FOSSEE team helps migrate commercial simulator labs to DWSIM.
14:55 We give honorarium and certificates.

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15:02 Spoken Tutorial and FOSSEE projects are funded by NMEICT, MHRD, Government of India.
15:11 This tutorial is contributed by Kaushik Datta and Priyam Nayak. Thanks for joining.

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