View source for DWSIM/C2/Conversion-Reactor/English


{|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 5.2''' '''(Classic UI)''' and

* '''Windows 10''' 

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

* '''Linux''',

* '''Mac OS X''' or

* '''FOSSEE OS''' on '''ARM'''. 

|- 
||'''Slide Number 4''' 


'''Pre-requisites''' 
||To practice this tutorial, you should know to- 

* Add components to a '''flowsheet.'''

* Select '''thermodynamic''' packages.

* Add '''material''' and '''energy''' streams and specify their properties. 
|- 
||'''Slide:''' 
 
'''Prerequisite Tutorials and Files''' 
||The prerequisite tutorials are mentioned on our website, '''spoken-tutorial.org.''' 


You can access these tutorials and all the associated files from this site. 

|- 
||'''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.''' 




Here we give '''Reaction, Property Package '''and '''Inlet Stream Conditions.''' 

|- 
||'''Slide Number 6''' 

Reaction Type: '''Isothermal''' 

Reaction Conversion: 

'''X<sub>CO'''</sub> '''<nowiki>= 267.45-0.591*T</nowiki>''', 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 the '''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 Package''' 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 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 >> Reaction Manager''' 

Point to '''Chemical Reactions Manager''' 

||Under '''Tools''', click on '''Reaction 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''' 


Check '''Carbon monoxide''' check box 
||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: 


'''-1''' for '''Carbon monoxide''' 

'''-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.''' 

Close '''Chemical Reactions Manager''' window. 
||At the bottom, Click on '''OK'''. 

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 


Click and drag '''Conversion Reactor''' to the flowsheet 
||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 the '''Conversion Reactor.''' 

|- 
||Go to '''Connections''' 


Click on drop down arrow against '''Inlet Stream''' 


Select '''Feed.''' 
||Under '''Connections,''' click on the drop-down against '''Inlet Stream.''' 


And select '''Feed.''' 

|- 
||Click on drop down arrow against '''Outlet Stream 1''' 


Select '''Vapour Product.''' 
||Next, click on the drop-down against '''Outlet Stream 1''' and select '''Vapour Product.''' 

|- 
||Click on drop down arrow against '''Outlet Stream 2''' 


Select '''Liquid Product.''' 
||Next, click on the drop-down against '''Outlet Stream 2''' and select '''Liquid Product.''' 

|- 
||Click on the drop down against '''Energy Stream''' 


Select '''Energy.''' 
||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.''' 


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.''' 

|- 
|| 
||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''' 


Hover mouse at '''Results''' 
||Go to the '''Property Editor Window''' of the '''Conversion Reactor.''' 


Locate the '''Results''' section. 

|- 
||'''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 P'''roperties 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. 


Now 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 '''Liquid Product, Vapour Product '''and '''Feed.''' 


The reaction is a '''Vapour Phase''' reaction. 


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

|- 
|| 
||Let's summarize. 

|- 
||'''Slide Number 7''' 


'''Summary''' 
||In this tutorial, we have learnt to 


* Define a '''Conversion Reaction''' 
* Simulate a '''Conversion Reactor''' 
* Calculate '''Conversion percentage''' from '''Conversion function''' 

|- 
||'''Slide Number 8''' 


'''Assignment''' 


'''Compounds: ''' 


Nitrogen (N<sub>2</sub>) 

Hydrogen (H<sub>2</sub>) 

Ammonia (NH<sub>3</sub>) 

 
'''Property Package: '''Peng-Robinson 


'''Inlet stream:''' 


Mass Flow: 1000kg/h 

Mole Fraction(N<sub>2</sub>): 0.5 

Mole Fraction(H<sub>2</sub>): 0.5 

Mole Fraction(NH<sub>3</sub>): 0 


Temperature: 425 degree C 

Pressure: 200 bar 


Reaction: '''N<sub>2</sub> +3 H<sub>2</sub> <nowiki>= 2 NH</nowiki><sub>3'''</sub> 


'''Conversion: '''X<sub>N2</sub>: 20% 
||As an assignment, 


Repeat this simulation with different '''compounds''' and '''thermodynamics'''. 


Different '''feed conditions ''' 


Different '''Conversion''' 

|- 
||'''Slide Number 9'''
'''About the Spoken Tutorial Project''' 
||Watch the video available at following link. 

http://spoken-tutorial.org/ 

It summarizes the Spoken Tutorial project. 

|- 
|| '''Slide Number 10'''
'''Spoken Tutorial Workshops''' 
||The Spoken Tutorial Project Team 

* Conducts workshops and 
* Gives certificates. 
* For more details, please write to us. 

|- 
||'''Slide Number 11''' 


'''Forum Slide''' 


Do you have questions in this '''Spoken Tutorial?''' 

Please visit this site 


Choose the minute and second where you have the question. 


Explain your question briefly. 


Someone from the FOSSEE team will answer them. 
||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. 


Thanks for joining.
|- 

|}