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: 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. 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: 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 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 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 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 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 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 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) / 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.
	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 (N2) Hydrogen (H2) Ammonia (NH3) Conversion: XN2: 20% 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 = 2 NH3	As an assignment, Repeat this simulation with different compounds and different Conversion Different Property Package Different feed conditions
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.
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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.
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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.

Contributors and Content Editors

Kaushik Datta, Nancyvarkey