DWSIM/C2/Equilibrium-Reactor/English-timed
From Script | Spoken-Tutorial
| 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 |
| 13:53 | Watch the video available at the following link.
It summarizes the Spoken Tutorial project. |
| 14:00 | The Spoken Tutorial Project Team
Conducts workshops and Gives certificates. |
| 14:06 | For more details, please write to us. |
| 14:10 | Please post your times queries in this forum. |
| 14:14 | The FOSSEE team coordinates conversion of existing flow sheets into DWSIM. |
| 14:20 | We give honorarium and certificates.
For more details, please visit this site. |
| 14:26 | The FOSSEE team coordinates coding of solved examples of popular books. |
| 14:32 | We give honorarium and certificates.
For more details, please visit this site. |
| 14:39 | The FOSSEE team helps migrate commercial simulator labs to DWSIM. |
| 14:45 | We give honorarium and certificates.
For more details, please visit this site. |
| 14:52 | Spoken Tutorial and FOSSEE projects are funded by NMEICT, MHRD, Government of India. |
| 15:01 | This tutorial is contributed by Kaushik Datta and Priyam Nayak.
Thanks for joining. |
