Difference between revisions of "Process-Simulation-using-DWSIM/C2/Conversion-Reactor/English"

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'''Problem Statement'''
 
'''Problem Statement'''
  
−
|| We will simulate a Conversion Reactor as shown in the figure.
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|| We will simulate a '''Conversion Reactor''' as shown in the figure.
  
 
This is to calculate the conversion for the given reaction based on the temperature function.
 
This is to calculate the conversion for the given reaction based on the temperature function.
  
−
Use the Peng-Robinson property package.
+
Use the '''Peng-Robinson property package'''.
 
|-
 
|-
 
|| Switch to '''DWSIM. '''
 
|| Switch to '''DWSIM. '''
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I have,  
 
I have,  
 
* Added the compounds as Carbon monoxide, Hydrogen, Methanol
 
* Added the compounds as Carbon monoxide, Hydrogen, Methanol
−
* Selected Peng-Robinson property package and
+
* Selected '''Peng-Robinson property package''' and
−
* Selected system of units as C5
+
* Selected system of units as '''C5'''
 
|-
 
|-
 
|| Point to '''Object Palette'''
 
|| Point to '''Object Palette'''
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It has three material streams and one energy auto-connected to its connection ports.
 
It has three material streams and one energy auto-connected to its connection ports.
  
−
Material Stream named '''1''' enters the reactor as feed.
+
Material Stream named '''1''' enters the reactor as '''feed'''.
  
  
−
Material Stream named '''2''' leaves the reactor as a vapor product.
+
Material Stream named '''2''' leaves the reactor as a '''vapor product'''.
  
  
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Material Stream named '''3''' leaves the reactor as a liquid product.
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Material Stream named '''3''' leaves the reactor as a '''liquid product'''.
  
  
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|| '''Input Data>> Stream Condition >> Flash Spec
 
|| '''Input Data>> Stream Condition >> Flash Spec
  
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>> Temperature''' '''and Pressure(TP)'''
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>> Temperature''' '''and Pressure(TP)'''.
 +
 
 
|| Under '''Input Data''', in '''Stream Conditions''' section, select '''Flash Spec''' as '''Temperature and Pressure (TP).'''
 
|| Under '''Input Data''', in '''Stream Conditions''' section, select '''Flash Spec''' as '''Temperature and Pressure (TP).'''
  

Latest revision as of 22:15, 11 February 2026

Title: Conversion Reactor

Author: Priyam Nayak

Keywords: DWSIM, Material stream, conversion reactor, compounds, reaction, base component, heat load


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:
  • Define a Conversion Reaction
  • Simulate a Conversion Reactor
  • Calculate Conversion percentage from Conversion function
Slide Number 3

System Requirements


To record this tutorial, I am using

  • DWSIM 9.0.4 and
  • Windows 11

But, this process is identical in Linux, Mac OS X, or FOSSEE OS on ARM.

This tutorial is recorded using the following setup.

The process demonstrated in this tutorial is identical in other OS as well.

Slide Number 4

Pre-requisites

To practice this tutorial, you should know the following how to:

  • add components to a flowsheet
  • select thermodynamic packages
  • specify the properties of a material stream


To practice this tutorial, you should know the following.
Slide Number 5

Problem Statement

We will simulate a Conversion Reactor as shown in the figure.

This is to calculate the conversion for the given reaction based on the temperature function.

Use the Peng-Robinson property package.

Switch to DWSIM. I have opened the DWSIM interface.
Add the compounds

Carbon monoxide, Hydrogen, Methanol

Property package - Peng-Robinson property package.

System of Units C5

I have completed configuring the simulation.


I have,

  • Added the compounds as Carbon monoxide, Hydrogen, Methanol
  • Selected Peng-Robinson property package and
  • Selected system of units as C5
Point to Object Palette

Click on Reactors section.

It is located at the right side of the flowsheet window.

Click and drag Conversion Reactor to the flowsheet

Now let us add a Conversion Reactor.

Go to the Reactors section in the Object Palette.

Drag and drop Conversion Reactor to the flowsheet.

Point to Conversion Reactor added to the flowsheet.

Point to material Stream 1.

Point to Material Stream 2.

Point to Material Stream 3.

Point to Energy Stream E1.

This is the Conversion Reactor.

It has three material streams and one energy auto-connected to its connection ports.

Material Stream named 1 enters the reactor as feed.


Material Stream named 2 leaves the reactor as a vapor product.


Material Stream named 3 leaves the reactor as a liquid product.


Energy Stream named E1 displays the heat required or released by the reactor

Let us now rename all the streams and unit operation.
Click 1 Click the Material Stream named 1.
Type Feed

Press Enter.

Let’s change its name to Feed.

Press Enter.

Click 2 Next, click the Material Stream named 2.
Type Vapor Product

Press Enter.

Let’s change its name to Vapor Product.

Press Enter.

Click 3 Next, click the Material Stream named 3.
Type Liquid Product

Press Enter.

Let’s change its name to Liquid Product.

Press Enter.

Click E1 Next, click the Energy Stream named E1.
Type Energy.

Press Enter.

Let’s change its name to Energy.

Press Enter.

Click RCONV-1 Click the Conversion Reactor named RCONV-1.
Type Reactor

Press Enter.

Let’s change the name of the column to Reactor.

Press Enter.

All our streams and the unit operation have been named.

Hover Mouse at Feed. Now, we will specify the Feed stream properties.
Click on Feed.

Property editor window opens.

Now click the Feed.

Here, the property editor window opens.

Input Data>> Stream Condition >> Flash Spec

>> Temperature and Pressure(TP).

Under Input Data, in Stream Conditions section, select Flash Spec as Temperature and Pressure (TP).

Temperature and Pressure is selected as Flash Spec by default.

So let’s not change it.

Input Data >> Stream Condition >>

Temperature >> 320 C

Press Enter

Change Temperature to 320 degree C and press Enter.
Input Data >> Stream Condition >> Pressure >> 70 bar

Press Enter

Change Pressure to 70 bar and press Enter.
Input Data >> Stream Condition >> Mass Flow >> 15000 kg/h

Press Enter

Change Mass Flow to 15000 kg/h and press Enter.
Now let us specify the feed stream compositions.
Compound Amounts

>>Basis >> Mole Fractions

Under Compound Amounts, choose the Basis as Mole Fractions, if not selected.

Mole Fractions is selected as Basis by default.

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 Accept Changes button.
Next, we will define the Conversion Reaction.
Highlight Settings in toolbar area

Click Settings

Click on the Settings button in the toolbar.

Settings window opens.

Click on Reactions tab Go to the Reactions tab.
Chemical Reactions >> Add Reaction

(green + button)

Under Chemical Reactions section, click on the green coloured Add Reaction button.
A drop down menu opens.

Click on Conversion

A drop down menu opens.

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

Add the description:

Synthesis of Methanol from Carbon monoxide and Hydrogen.

Now let’s enter the Description as shown.
Point to Components/Stoichiometry Next 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 ΔHf (kJ/kg) The third column corresponds to its Heat of Formation.
Point to Include The next column is Include.

It indicates the components which will take part in the reaction.

Under Include, check all the check boxes.

Point to BC

Check Carbon monoxide check box

The fifth column is Base Component.

Under Base Component, check the Carbon monoxide check box,

This is required as conversion is defined in terms of Carbon monoxide.

Point to Stoich. Coeff. The next column is Stoichiometric Coefficients
Stoich. Coeff >> Carbon monoxide: -1, Hydrogen: -2, Methanol: 1 Under Stoichiometric Coefficients column, enter:

-1 for Carbon monoxide

-2 for Hydrogen and

1 for Methanol

Then press Enter.

The negative sign is to indicate the components as Reactants.

Point to Stoichiometry field In the Stoichiometry field, we can see that 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 >> 410-0.591*T As per the problem statement, conversion function is given as

410-0.591*T

So enter the conversion as 410-0.591*T

At the bottom, Click on OK button.

Close Settings window.

Click the OK button at the bottom.

And then close the Settings window.

Click Reactor We are now ready to specify the Reactor.

So let’s click on it.

Reactor >> Property Editor Window. The Reactor property editor window opens.
Hover mouse at Calculation Parameters Go to the next section, Calculation Parameters.
Reaction Set >> Default Set Here, the first option is Reaction Set.

By default, it is Default Set.

Click drop down against Calculation Mode

Select Isothermic

Next, click on the drop-down against Calculation Mode and select Isothermic.


This is as per the problem statement, since the reactants and product are available at same temperature.

Now we will run the simulation.
Click Solve Click on the Solve button in the toolbar area.
Click Conversion Reactor When the calculations are completed, click on the Reactor in the flowsheet.
Point to Property Editor Window

Hover mouse at Results

Go to the Property Editor Window of the Reactor.

Locate the Results section.

Results >> General Under the General tab, check Heat Load.

It is -6961.1 kilo watt.

This is the amount of heat released.

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 59.44% and for Hydrogen, it is 29.72%.

Insert >> Master Property Table Now, go to Insert menu and select Master Property Table.
Double click on Master Property Table to edit. 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, select the properties as

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

Point to Liquid Product stream

Move the Master Property Table for better visibility.

Here, we can see the corresponding results for Vapour Product, Liquid Product and Feed.

The reaction is a Vapour Phase reaction.

So, we can see that, Liquid Product stream shows zero flow rate and composition.

Slide Number 6

Summary

In this tutorial, we have learnt to

  • Define a Conversion Reaction
  • Simulate a Conversion Reactor
  • Calculate Conversion percentage from Conversion function
With this we come to the end of this tutorial.

Let's summarize.

Slide Number 7

Assignment

As an assignment,

Simulate a Conversion Reactor with different conditions.

Slide Number 8


DWSIM Flowsheeting Project

We invite you to participate in DWSIM Flowsheeting Project.
Slide Number 9

Lab Migration Project

We invite you to migrate commercial simulator labs to DWSIM.
Slide Number 10

Acknowledgements

The FOSSEE project is funded by NMEICT, Ministry of Education(MoE), Government of India.
Slide Number 11


Thanks

We thank the DWSIM team for making it as an open source software.

Thank you for joining.

Contributors and Content Editors

Madhurig

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