DWSIM/C2/Conversion-Reactor/English
Visual Cue | Narration |
Slide Number 1
Title Slide |
Welcome to this tutorial on simulating a Conversion Reactor in DWSIM. |
Slide Number 2
Learning Objective |
In this tutorial, we will learn to:
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Slide Number 3
System Requirements |
To record this tutorial, I am using
The process demonstrated in this tutorial is identical in other OS also such as-
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Slide Number 4
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To practice this tutorial, you should know to-
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Slide:
Prerequisite Tutorials and Files |
The prerequisite tutorials are mentioned on our website, spoken-tutorial.org.
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Slide Number 5
Reaction, Package and Inlet Condition Reaction: CO (g) + 2H2 (g) ⇔ CH3OH (g) Property Package: Raoult’s Law Inlet Stream: Mass Flow: 1500 kg/h Mole Fraction(CO): 0.2 Mole Fraction(H2): 0.8 Mole Fraction(CH3OH): 0 Temperature: 320 degree C Pressure: 70 bar |
We will develop a flowsheet to determine the exit composition from an isothermal Conversion Reactor.
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Slide Number 6
Reaction Type: Isothermal Reaction Conversion: XCO = 267.45-0.591*T, T in degree C |
Next, we give Reaction Parameter and Reaction Conversion. |
File >> New Steady-state Simulation
Point to Simulation Configuration Wizard window Click on Next. |
I have already opened DWSIM on my machine.
Go to File menu and select New Steady-state Simulation. Simulation Configuration Wizard window appears. At the bottom, click on the Next button. |
Type Carbon monoxide in the Search tab
ChemSep database >> Carbon monoxide |
Now, in the Compounds search tab, type Carbon monoxide.
Select Carbon monoxide from ChemSep database. |
Type Hydrogen in the Search tab | Similarly, add Hydrogen. |
Type Methanol in the Search tab | Next, add Methanol. |
Click on Next. | And then at the bottom, click on the Next button. |
Point to Property Packages | The Property Packages opens. |
Property Packages >> Available Property Package
Double click on Raoult’s Law |
From Available Property Packages list, double-click on Raoult’s Law. |
Click on Next. | Then click on the Next button. |
Point to Flash Algorithm | We are moved to a new window named Flash Algorithm. |
Default Flash Algorithm >> Nested Loops (VLE) | From Default Flash Algorithm select Nested Loops(VLE) |
Click on Next | Click on the Next button. |
Point to System of Units | The next option is System of Units. |
System of Units >> C5 | Under System of Units, we will select C5. |
Click on Finish | Then at the bottom, click on the Finish button. |
Click on Maximize button. | Let us now maximize the simulation window. |
Cursor on the simulation window. | Now let’s insert a feed stream that enters the Conversion Reactor. |
Point to Flowsheet Objects. | On the right hand side of the main simulation window, go to Flowsheet Objects. |
In the Filter List tab, type Material Stream | In the Filter List tab, type Material Stream. |
Click and drag Material Stream to the flowsheet | From the displayed list, drag and drop a Material Stream to the Flowsheet. |
Type Feed | Let’s change the name of this stream to Feed. |
Now we will specify the Feed stream properties. | |
Input Data >> Flash Spec >> Temperature and Pressure (TP) | Go to Input Data.
Select Flash Spec as Temperature and Pressure (TP), if not already selected. By default, Temperature and Pressure are already selected as Flash Spec. |
Input Data >> Temperature >> 320 C
Press Enter |
Change Temperature to 320 degC and press Enter. |
Input Data >> Pressure >> 70 bar
Press Enter |
Change Pressure to 70 bar and press Enter. |
Input Data >> Mass Flow >> 1500 kg/h
Press Enter |
Change Mass Flow to 1500 kg/h and press Enter. |
Now let us specify the feed stream compositions. | |
Composition>>Basis >> Mole Fractions | Under Composition, choose the Basis as Mole Fractions, if not already selected.
By default, Mole Fractions is already selected as Basis. |
Carbon monoxide: 0.2 | Now for Carbon monoxide, enter the Amount as 0.2 and press Enter. |
Hydrogen: 0.8 | For Hydrogen, enter 0.8 and press Enter. |
Methanol: 0 | Similarly, for Methanol, enter 0 and press Enter. |
Click Accept Changes | On the right, click on this green tick to Accept Changes. |
Next, we will define the Conversion Reaction. | |
Tools >> Reactions Manager
Point to Chemical Reactions Manager |
Under Tools, click on Reactions Manager.
Chemical Reactions Manager window opens. |
Chemical Reactions >> Add Reaction | Under Chemical Reactions tab, click on the green coloured Add Reaction button. |
Click on Conversion | Then click on Conversion. |
Point to Add New Conversion Reaction | Add New Conversion Reaction window opens. |
Identification >> Name >> Methanol Synthesis | Under Identification, enter the Name as Methanol Synthesis. |
Description >> Synthesis of Methanol from Carbon Monoxide and Hydrogen | Now let’s enter the Description.
“Synthesis of Methanol from Carbon monoxide and Hydrogen.” |
Point to Components/Stoichiometry | Next part is a table of Components/Stoichiometry. |
Point to Name field | The first column Name shows the available components here. |
Point to Molar Weight | The second column corresponds to its Molar Weight. |
Point to Include | The next column is Include.
Under Include, check all the check-boxes. |
Point to BC
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The fourth column is BC.
Under BC, check the Carbon monoxide check box as conversion is defined in terms of Carbon monoxide. |
Point to Stoich. Coeff. | Next column is Stoich. Coeff. (stoichiometric coefficients) |
Stoich. Coeff >> Carbon monoxide: -1, Hydrogen: -2, Methanol: 1 | Under Stoic Coeff column, enter:
-2 for Hydrogen and 1 for Methanol Then press Enter. |
Point to Stoichiometry field | In the Stoichiometry field, we can see it shows OK.
So the reaction is balanced after entering the stoichiometric coefficients. |
Point to Equation field | Here the Equation field shows the reaction equation. |
Point to Conversion Reactions Parameters | Then comes Conversion Reactions Parameters. |
Base comp >> Carbon monoxide | The Base comp is already indicated as Carbon monoxide. |
Phase >> Vapor | Select Phase as Vapor. |
Point to Conversion
Conversion >> 50 |
Now go to Conversion.
In a Conversion Reaction, conversion can be defined in two ways. First, conversion is defined directly as percentage (%). Suppose, it is provided that reactant undergoes 50% conversion. Then we have to enter 50 against Conversion. Secondly, conversion can be defined as a function of temperature. |
Conversion >> 267.45-0.591*(T-273.15) | As per the problem statement, conversion function is given as
267.45-0.591*T where T is in degree Celsius. But in the reaction manager, it can be seen that T is in Kelvin. So we will modify the function and enter the conversion as 267.45-0.591*(T-273.15) This “-273.15” is to incorporate the change in temperature from Kelvin to Degree Celsius. |
At the bottom, Click on OK button.
Close Chemical Reactions Manager window. |
At the bottom, Click on OK button.
And then close the Chemical Reactions Manager window. |
Now let us insert a Conversion Reactor to the flowsheet. | |
Go to Flowsheet Objects>>Filter List tab
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Go to Flowsheet Objects.
In the Filter List tab, type Conversion Reactor. Drag and drop it to the flowsheet. |
Let us now arrange it as required. | |
Type Conversion Reactor. | And name this reactor as Conversion Reactor. |
Now let’s insert two more material streams that exit the Conversion Reactor. | |
Click and Drag Material Stream to the flowsheet | To do that, let us drag one Material Stream to the flowsheet. |
Let us now arrange it. | |
We will leave that stream as unspecified. | |
Type Vapour Product | Then we will change the name of this stream to Vapour Product. |
Click and drag Material Stream to the flowsheet | Next, we will insert another Material Stream. |
Let us once again arrange it. | |
Leave that stream as unspecified. | |
Type Liquid Product | And name this stream as Liquid Product |
Click and drag Energy Stream to the flowsheet | Next, we will insert one Energy Stream. |
Type Energy. | And name this stream as Energy. |
Click Conversion Reactor | We are now ready to specify the Conversion Reactor.
So let’s click on it. |
On the left, we can see a tab displaying properties related to Conversion Reactor. | |
Go to Connections
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Under Connections, click on the drop-down against Inlet Stream.
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Click on drop down arrow against Outlet Stream 1
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Next, click on the drop-down against Outlet Stream 1 and select Vapour Product. |
Click on drop down arrow against Outlet Stream 2
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Next, click on the drop-down against Outlet Stream 2 and select Liquid Product. |
Click on the drop down against Energy Stream
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Then click on the drop-down against Energy Stream and select Energy. |
Hover mouse at Calculation Parameters | Now go to the next section, Calculation Parameters. |
Reaction Set >> Default Set | Here, the first option is Reaction Set.
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Click drop down against Calculation Mode
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Next, click on the drop-down against Calculation Mode and select Isothermic. |
Now we will run the simulation. | |
Click Solve Flowsheet | So, from the toolbar, click on Solve Flowsheet button. |
Click Conversion Reactor | When the calculations are completed, click on the Conversion Reactor in the flowsheet. |
Point to Property Editor Window
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Go to the Property Editor Window of the Conversion Reactor.
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Results >> General | Under the Reactions tab, check Conversion.
It is 78.33 %. This is the conversion of the base component of the reaction. In this case, it is conversion of Carbon monoxide. |
Results >> Conversions | Now, go to Conversions tab.
We will look into the individual conversion of all the reactants. Here for Carbon monoxide, the conversion is 78.33% and for Hydrogen, it is 39.16%. |
Insert >> Master Property Table | Now, go to Insert menu and select Master Property Table. |
Double click on Master Property Table | Double-click on the Master Property Table. |
Point to Configure Master Property Table | Configure Master Property Table window opens. |
Type Stream Wise Results | Enter Name as Stream Wise Results. |
Type Material Stream | Enter Object Type as Material Stream.
By default, Material Stream is already selected. So we will not change it. |
Object >> Liquid Product, Vapour Product and Feed | Under Properties to display, select Object as Feed, Vapour Product and Liquid Product. |
Configure Master Property Table>> Property | Under Property, scroll down to see all the parameters.
Temperature Pressure Mass Flow Molar Flow Molar Fraction (Mixture) / Carbon monoxide Molar Flow (Mixture) / Carbon monoxide Molar Fraction (Mixture) / Hydrogen Molar Flow (Mixture) / Hydrogen Molar Fraction (Mixture) / Methanol Molar Flow (Mixture) / Methanol |
Close Configure Master Property Table window. | Let’s close this window. |
Point to the Master Property Table
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Move the Master Property Table for better visibility.
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Let's summarize. | |
Slide Number 7
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In this tutorial, we have learnt to
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Slide Number 8
Hydrogen (H2) Ammonia (NH3) Conversion: XN2: 20%
Mole Fraction(N2): 0.5 Mole Fraction(H2): 0.5 Mole Fraction(NH3): 0
Pressure: 200 bar
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As an assignment,
Different Property Package
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Slide Number 9
About the Spoken Tutorial Project |
Watch the video available at following link.
It summarizes the Spoken Tutorial project. |
Slide Number 10
Spoken Tutorial Workshops |
The Spoken Tutorial Project Team
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Slide Number 11
Please visit this site
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Please post your times queries in this forum. |
Slide Number 12
DWSIM Flowsheeting Project |
The FOSSEE team coordinates conversion of existing flow sheets into DWSIM.
We give honorarium and certificates. For more details, please visit this site. |
Slide Number 13
TextBook Companion Project |
The FOSSEE team coordinates coding of solved examples of popular books.
We give honorarium and certificates. For more details, please visit this site. |
Slide Number 14
Lab Migration Project |
The FOSSEE team helps migrate commercial simulator labs to DWSIM.
We give honorarium and certificates. For more details, please visit this site. |
Slide Number 15
Acknowledgements |
Spoken Tutorial and FOSSEE projects are funded by NMEICT, MHRD, Government of India. |
Slide Number 16
Thanks |
This tutorial is contributed by Kaushik Datta and Priyam Nayak.
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