Nancyvarkey at 02:33, 20 December 2018

2018-12-20T02:33:23Z

Kaushik Datta at 11:13, 17 December 2018

2018-12-17T11:13:19Z

Kaushik Datta at 11:12, 17 December 2018

2018-12-17T11:12:53Z

Kaushik Datta at 10:52, 17 December 2018

2018-12-17T10:52:36Z

Show changes

Kaushik Datta: Created page with " {|border=1 ||'''Visual Cue''' ||'''Narration''' |- | | '''Slide Number 1''' '''Title Slide''' | | Welcome to this tutorial on simulating a '''Gibbs Reactor '''in '''DWSIM.'..."

2018-11-02T09:37:37Z

Created page with " {|border=1 ||'''Visual Cue''' ||'''Narration''' |- | | '''Slide Number 1''' '''Title Slide''' | | Welcome to this tutorial on simulating a '''Gibbs Reactor '''in '''DWSIM.'..."

New page

{|border=1
||'''Visual Cue'''
||'''Narration'''
|-
| | '''Slide Number 1'''
'''Title Slide'''
| | Welcome to this tutorial on simulating a '''Gibbs Reactor '''in '''DWSIM.'''

|-
| | '''Slide Number 2'''
'''Learning Objective'''
| | In this tutorial, we will learn to:

* Simulate''' '''a''' Gibbs Reactor'''

* Use different '''Minimization Methods'''

* Calculate''' Conversion percentage''' and''' Reaction extent'''

* Compare '''Equilibrium '''and '''Gibbs Reactor '''values

|-
| | '''Slide Number 3'''
'''System Requirements'''
| | To record this tutorial, I am using

* '''DWSIM 5.2''' '''(Classic UI) update 22''' 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'''

'''www.spoken-tutorial.org'''
| | 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 '''and''' Inlet Condition'''

'''Reaction:'''

'''CO (g) + H2O (g) ⇔ H2 (g) + CO2 (g)'''

'''Inlet Stream:'''

Mass Flow: 3600 kg/h

Mole Fraction(CO): 0.5

Mole Fraction(H2O): 0.5

Mole Fraction(H2): 0

Mole Fraction(CO2): 0

Temperature: 25 degree C

Pressure: 1.01325 bar
| | Here we can see the problem statement of the earlier tutorial.

|-
| | ''' '''

'''Slide Number 6'''

'''Property Package: '''Raoult’s Law

'''Reaction Temperature:''' 500 K

| | This was solved using''' Equilibrium Reactor'''.

|-
| | Cursor on the''' DWSIM '''interface.

Cursor on '''equilibrium_reactor. dwxmz file.'''
| | Let us open the corresponding file in '''DWSIM'''.

I have already opened '''DWSIM''' on my machine.

I have already opened the file '''equilibrium_reactor. dwxmz'''.

This file can also be downloaded from the '''Code files''' link.

|-
| | '''Save As >> Gibbs_reactor.'''
| | Let me save this as '''Gibbs_reactor.'''

You can see that the file name has changed now to '''Gibbs_reactor.'''

|-
| | Point to '''Gibbs Reactor.'''
| | We will solve the same problem using '''Gibbs Reactor''' as solved in '''Equilibrium Reactor.'''

And compare results with that solved in '''Equilibrium Reactor.'''

|-
| | Right click on '''Equilibrium Reactor '''>> '''Delete'''
| | Let us begin by replacing the '''Equilibrium Reactor''' with a '''Gibbs Reactor'''.

Right click on the '''Equilibrium Reactor''' and select '''Delete.'''

|-
| | '''Delete Equilibrium Reactor''' >> '''Yes'''
| | Click '''Yes''' to the prompt '''Delete Equilibrium Reactor'''.

|-
| |
| | Now let us insert a '''Gibbs Reactor''' into the '''flowsheet'''.

|-
| | Go to '''Flowsheet Objects>>Filter List '''tab

Click and drag '''Gibbs Reactor''' to the flowsheet
| | Go to '''Flowsheet Objects.'''

In the '''Filter List''' tab, type''' Gibbs Reactor.'''

Drag and drop it to the '''flowsheet''' in the place of''' Equilibrium Reactor.'''

|-
| |
| | Let us now arrange it as required.

|-
| | Type '''Gibbs Reactor.'''
| | And name this '''reactor '''as '''Gibbs Reactor.'''

|-
| | Point to the reaction.
| | The reaction required to simulate '''Gibbs Reactor''' is already present.

This is because the reaction was already defined while simulating the '''Equilibrium Reactor'''.

So we need not define any new reaction.

|-
| | Click '''Gibbs Reactor'''
| | We are now ready to specify the '''Gibbs Reactor.'''

So let’s click on it.

|-
| | Point to displaying properties.
| | On the left, we can see a tab displaying properties related to the '''Gibbs 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.'''
| | Then, click on the drop-down against '''Outlet Stream 2''' and select '''Liquid Product.'''

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

Select '''Energy.'''
| | After this, click on the drop-down against '''Energy Stream''' and select '''Energy.'''

|-
| | Hover mouse at '''Calculation Parameters'''
| | Now go to the next section, '''Calculation Parameters.'''

|-
| | '''Parameters''' >>''' Reaction Set''' >> '''Default Set'''
| | Under the tab '''Parameters''', the first option is '''Reaction Set.'''

By default, it is '''Default Set'''.

|-
| | Click drop down against '''Calculation Mode'''

Select '''Define Outlet Temperature'''
| | Next, click on the drop-down against '''Calculation Mode.'''

Select '''Define Outlet Temperature.'''

|-
| | Click drop down against '''Minimization Method'''

Select '''Calculate Reaction Extents'''
| | Next, click on the drop-down against '''Minimization Method.'''

Select '''Calculate Reaction Extents.'''

|-
| | Point to '''Calculate Reaction Extents.'''
| | This procedure is similar to '''Equilibrium Reactor'''.

|-
| | '''Outlet Temperature''' >> '''500 K'''
| | Enter '''500 K''' against '''Outlet Temperature.'''

|-
| | '''Calculation Parameters''' >> '''Compounds'''
| | Next, click on '''Compounds''' tab.

|-
| | Point to '''Compounds'''
| | This is to indicate the compounds that will react in the reaction.

Under '''Compounds''', check all the boxes against all the compounds.

|-
| |
| | Now we will run the '''simulation.'''

|-
| | Click '''Solve Flowsheet'''
| | So, from the toolbar, click on '''Solve Flowsheet''' button.

|-
| | Click '''Gibbs Reactor'''
| | When the calculations are completed, click on the '''Gibbs Reactor '''in the '''flowsheet'''.

|-
| | Point to '''Property Editor Window'''

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

Locate the '''Results''' section.

|-
| | '''Results >> Reactions'''
| | Under the '''Reactions''' tab, check '''Extent.'''

It is '''20.0151.'''

This is the extent of the '''water gas shift reaction''' at '''500 K'''.

For the '''Equilibrium Reactor''', it was '''20.0151''' as well.

|-
| | '''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 '''92.1194%''' and for '''Water,''' it is '''92.1194%.'''

For the '''Equilibrium Reactor''', the conversions for both the compounds were '''92.1194%''' as well.

|-
| | Missing Visual Cue
| | Hence, the results of '''Gibbs Reactor''' in '''Calculate Reaction Extent Method''' match with '''Equilibrium Reactor.'''

|-
| |
| | Let us now redo the simulation with the other available '''Minimization Method'''.

This '''Minimization Method''' is called '''Direct Gibbs Energy Minimization'''.

|-
| | SLIDE

About '''Direct Gibbs Energy Minimization''' method
| | In this '''Minimization Method''', '''Equilibrium composition''' for final '''Gibbs energy''' is at minimum.

This '''method '''doesn’t use any reaction to calculate the '''Gibbs energy'''.

Rather it uses an '''Element Matrix''' that we are going to define later.

|-
| | Missing Visual Cue
| | Let us verify this.

The default reaction which is already set, has a reaction in it.

So, let’s create a reaction set with no reaction.

|-
| | '''Tools >> Reaction Manager'''

Point to '''Chemical Reactions Manager'''
| | Under '''Tools''', click on '''Reaction Manager.'''

'''Chemical Reactions Manager''' window opens.

|-
| | '''Reaction Sets >> Add New Reaction Set'''
| | Under '''Reaction Sets''' tab, click on the green coloured '''Add New Reaction Set''' button.

|-
| | Point to '''DWSIM – Reaction Set Editor'''
| | '''DWSIM – Reaction Set Editor''' opens.

|-
| | '''Identification >> Name >> No Reaction'''
| | Under '''Identification''', enter the '''Name''' as '''No Reaction.'''

|-
| | 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 press '''F5''' button.

|-
| | Point to '''Reaction set.'''
| | A reaction set with no reaction is created.

|-
| |
| | Note that, this step of creating a reaction set with no reaction is not required.

I am doing this to demonstrate that '''Direct Gibbs Energy Minimization method''' works without any reaction.

|-
| | Click '''Gibbs Reactor'''
| | Once again click on the '''Gibbs Reactor.'''

|-
| | Point to '''Calculation Parameters'''
| | Go to '''Calculation Parameters''' section.

|-
| | Click drop down against '''Reaction Set'''

Select '''No Reaction.'''
| | Then click on the drop-down against '''Reaction Set '''and select '''No Reaction.'''

|-
| | Point to '''Calculation Mode'''
| | There will be no change in '''Calculation Mode. '''

It will remain the same as '''Define Outlet Temperature. '''

|-
| | Click drop down against '''Minimization Method'''

Select '''Direct Gibbs Energy Minimization.'''
| | Next, click on the drop-down against '''Minimization Mode.'''

Select '''Direct Gibbs Energy Minimization.'''

|-
| | Point to '''Outlet Temperature'''
| | Again, there will be no change in '''Outlet Temperature. '''

It will remain as '''500 K. '''

|-
| | '''Calculation Parameters >> Compounds'''
| | After this, go to '''Compounds '''tab.

Note that, all the checkboxes are already selected.

|-
| | '''Calculation Parameters >> Elements'''
| | Now go to '''Elements''' tab.

In this tab, we will enter the required elements for the reaction.

They are '''Carbon, Oxygen''' and '''Hydrogen'''.

We will also specify the number of elements present in the selected compounds.

|-
| | '''Configuration >> Add Element'''
| | Under '''Configuration''', click on '''Add Element''' three times.

|-
| | '''Matrix >> Element >> C'''
| | Under '''Matrix''', we can see that three blank rows has been inserted.

For the first blank row under '''Element''' column, enter '''C '''for''' Carbon.'''

|-
| | '''Matrix >> Element >> O'''
| | For the next blank row, enter '''O '''for '''Oxygen'''.

|-
| | '''Matrix >> Element >> H'''
| | For the last blank row, enter '''H '''for''' Hydrogen.'''

|-
| | Point to the elements
| | All the elements have been added.

Now, we will enter the number of elements for all the selected compounds.

|-
| | Carbon monoxide >> C: 1, O: 1, H: 0.
| | Under '''Carbon monoxide''' column, enter:

'''1''' for '''C'''

'''1 '''for''' O'''

and '''0''' for '''H'''

Then press '''Enter.'''

|-
| | Water >> C: 0, O: 1, H: 2.
| | Similarly, under '''Water''' column, enter:

'''0''' for '''C'''

'''1 '''for''' O'''

and '''2''' for '''H'''

Then press '''Enter.'''

|-
| | Hydrogen >> C: 0, O: 0, H: 2.
| | Next, under '''Hydrogen''' column, enter:

'''0''' for '''C'''

'''0 '''for''' O'''

and '''2''' for '''H'''

Then press '''Enter.'''

|-
| | Carbon dioxide >> C: 1, O: 2, H: 0.

| | Similarly, under '''Carbon dioxide''' column, enter:

'''1''' for '''C'''

'''2 '''for''' O'''

and '''0 for H'''

Then press '''Enter.'''

|-
| | Click on''' Save Changes '''button.
| | Click on''' Save Changes '''button.

|-
| |
| | The element matrix is now complete.

|-
| |
| | Now we will run the '''simulation.'''

|-
| | Click '''Solve Flowsheet'''
| | So, from the toolbar, click on '''Solve Flowsheet''' button.

|-
| | Click '''Gibbs Reactor'''
| | When the calculations are completed, click on the '''Gibbs Reactor '''in the '''flowsheet'''.

|-
| | Point to '''Property Editor Window'''

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

Locate the '''Results''' section.
|-
| | '''Results >> Conversions'''
| | Under '''Conversions''' tab, check the individual compounds Conversion.

Here for '''Carbon monoxide,''' the conversion is '''92.1194%''' and for '''Water,''' it is '''92.1194%.'''

|-
| | '''Equilibrium Reactor'''

other '''Minimization Methods '''in''' Gibbs Reactor.'''
| | In all the above explained '''methods''', conversions for both the compounds was found to be '''92.1194%'''

|-
| | '''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 - Gibbs Reactor.'''
| | Enter '''Name''' as '''Stream Wise Results – Gibbs Reactor.'''

|-
| | 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.

Now select the properties as

'''Temperature'''

'''Pressure'''

'''Mass Flow'''

'''Molar Flow'''

'''Molar Fraction (Mixture) / Carbon monoxide'''

'''Molar Flow (Mixture) / Carbon monoxide'''

'''Molar Fraction (Mixture) / Water'''

'''Molar Flow (Mixture) / Water'''

'''Molar Fraction (Mixture) / Hydrogen'''

'''Molar Flow (Mixture) / Hydrogen'''

'''Molar Fraction (Mixture) / Carbon dioxide'''

'''Molar Flow (Mixture) / Carbon dioxide'''

|-
| | 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.'''

|-
| |
| | Let's summarize.

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

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

* '''Simulate '''a''' Gibbs Reactor'''
* Use different '''Minimization Methods'''
* Calculate''' Conversion percentage''' and''' Reaction extent'''
* Compare '''Equilibrium '''and '''Gibbs Reactor '''values

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

'''Assignment'''

'''Compounds: '''

Nitrogen (N2)

Hydrogen (H2)

Ammonia (NH3)

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

'''Inlet stream:'''

Mass Flow: 1000kg/h

Mole Fraction(N2): 0.5

Mole Fraction(H2): 0.5

Mole Fraction(NH3): 0

Temperature: 425 degree C

Pressure: 200 bar

Reaction: '''N2 +3 H2 <nowiki>= 2 NH</nowiki>3'''
| | As an assignment,

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

Different '''feed conditions '''

Different '''Conversion'''

|-
| | '''Slide Number 8About the Spoken Tutorial Project'''
| | Watch the video available at following link.

http://spoken-tutorial.org/

It summarizes the Spoken Tutorial project.

|-
| | '''Slide Number 9'''

'''Spoken Tutorial Workshops'''
| | The Spoken Tutorial Project Team

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

|-
| | '''Slide Number 10'''

'''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 11'''

'''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 12'''

'''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 13'''

'''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 14'''

'''Acknowledgements'''
| | '''Spoken Tutorial''' and '''FOSSEE''' projects are funded by '''NMEICT, MHRD''', Government of India.

|-
| | '''Slide Number 15'''

'''Thanks'''
| | This tutorial is contributed by Kaushik Datta and Priyam Nayak.

Thanks for joining.
|-
|}

@@ Line 101: / Line 101: @@
 | | Cursor on the''' DWSIM '''interface.
-Cursor on '''Equilibrium_reactor. dwxmz file.'''
+Cursor on '''Equilibrium_reactor.dwxmz file.'''
 | | Let us open the corresponding file in '''DWSIM'''.
 I have already opened '''DWSIM''' on my machine.
-I have already opened '''Equilibrium_reactor. dwxmz''' file.
+I have already opened '''Equilibrium_reactor.dwxmz''' file.
 This file can also be downloaded from the '''Code files''' link.

@@ Line 376: / Line 376: @@
 Select '''Direct Gibbs Energy Minimization.'''
-| | Next, click on the drop-down against '''Minimization Mode.'''
+| | Next, click on the drop-down against '''Minimization Method.'''
 Select '''Direct Gibbs Energy Minimization.'''
@@ Line 480: / Line 480: @@
 |-
 | |
-| | The element matrix is now complete.
+| | The '''element matrix''' is now complete.
 |-
@@ Line 598: / Line 598: @@
 '''Spoken Tutorial Workshops'''
-| | The Spoken Tutorial Project Team
+| | The Spoken Tutorial Project Team conducts workshops and gives certificates.
-* Conducts workshops and
-* Gives certificates.
+For more details, please write to us.
-* For more details, please write to us.
 |-
@@ Line 625: / Line 624: @@
 '''DWSIM Flowsheeting Project'''
-| | The '''FOSSEE''' team coordinates conversion of existing flow sheets into '''DWSIM.'''
+| | The '''FOSSEE''' team coordinates conversion of existing flowsheets into '''DWSIM.'''
 We give honorarium and certificates.

DWSIM/C2/Gibbs-Reactor/English - Revision history

Nancyvarkey at 02:33, 20 December 2018

Kaushik Datta at 11:13, 17 December 2018

Kaushik Datta at 11:12, 17 December 2018

Kaushik Datta at 10:52, 17 December 2018

Kaushik Datta: Created page with " {|border=1 ||'''Visual Cue''' ||'''Narration''' |- | | '''Slide Number 1''' '''Title Slide''' | | Welcome to this tutorial on simulating a '''Gibbs Reactor '''in '''DWSIM.'..."