View source for Process-Simulation-using-DWSIM/C2/Conversion-Reactor/English

'''Title: Conversion Reactor'''

'''Author: Priyam Nayak'''

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


{| border=1
|- 
|| '''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.
|-
|}