DWSIM/C2/Continuous-Stirred-Tank-Reactor/English

Visual Cue	Narration
Slide Number 1 Title Slide	Welcome to this tutorial on simulating a Continuous Stirred Tank Reactor (CSTR) in DWSIM.
Slide Number 2 Learning Objective	In this tutorial, we will learn to: Simulating a Continuous Stirred Tank Reactor (CSTR) Calculate Conversion and Residence Time for a reaction in a CSTR
Slide Number 3 System Requirements	To record this tutorial, I am using DWSIM 4.3 and Windows 7 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 how to- add components to a flowsheet. select thermodynamic packages. add material and energy stream and specify their properties. and add kinetic reaction in reaction manager.
Slide Number 5 Prerequisite Tutorials and Files	The pre-requisite tutorials are mentioned on our website, spoken-tutorial.org You can access these tutorials and all the associated files from this site.
Slide Number 6 Reaction, Package and Inlet Condition Reaction: C2H5OH (l) + CH3COOH (l) ⇔ CH3COOC2H5 (l) + H2O (l) Property Package: NRTL Inlet Stream: Mass Flow: 3600 kg/h Mole Fraction(C2H5OH): 0.48 Mole Fraction(CH3COOH): 0.5 Mole Fraction(H2O): 0.02 Temperature: 70 degree C Pressure: 1 bar	We will develop a flowsheet to determine the exit composition from an isothermal CSTR. Here we give Reaction, Property Package and Inlet Stream Conditions.
Slide Number 6 Reactor Parameters and Reaction Kinetics CSTR Dimensions: Volume: 1 m3, Reaction rate: rA = K0CACB, K0 = 0.005, n = 2	Next, we give CSTR dimensions and reaction kinetics.
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 Next.
Type Ethanol in the Search tab ChemSep database >> Ethanol	Now, In the Compounds Search tab, type Ethanol. Select Ethanol from ChemSep database.
Type Acetic Acid in the Search tab	Similarly, add Acetic Acid.
Type Water in the Search tab	Next, add Water.
Type Ethyl Acetate in the Search tab	Next, add Ethyl Acetate.
Click on Next.	Click on Next.
Point to Property Packages	Now comes Property Packages.
Property Packages >> Available Property Package Double click on NRTL	From Available Property Package list, double-click on NRTL.
Click on Next.	Then click on Next.
Point to Flash Algorithm	We are moved to Flash Algorithm.
Default Flash Algorithm >> Nested Loops (VLE)	From Default Flash Algorithm select Nested Loops(VLE)
Click Next	Click on Next.
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 Finish.
Maximize the simulation window	Let us now maximize the simulation window.
	Now let’s insert a feed stream that enters the CSTR.
Go to Object Palette	Go to Object Palette.
Go to Streams Section Click and drag Material Stream to the flowsheet	From Streams section, 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 >> 70 C Press Enter	Change Temperature to 70 degC and press Enter.
Input Data >> Pressure >> 1 bar Press Enter	Change Pressure to 1 bar and press Enter.
Input Data >> Mass Flow >> 3600 kg/h Press Enter	Change Mass Flow to 3600 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.
Ethanol: 0.48	Now for Ethanol, enter the Amount as 0.48 and press Enter.
Acetic Acid: 0.5	For Acetic Acid, enter 0.5 and press Enter.
Water: 0.02	Similarly, for Water, enter 0.02 and press Enter.
Ethyl Acetate: 0	For Ethyl Acetate, enter 0 and press Enter.
Click Accept Changes	On the right, click on this green tick to Accept Changes
	Next, we will define the Kinetic 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 Kinetic	Then click on Kinetic.
Point to Add New Kinetic Reaction	Add New Kinetic Reaction window opens.
Identification >> Name >> Ethyl Acetate	Under Identification, enter the Name as Ethyl Acetate.
Description >> Irreversible reaction for synthesis of Ethyl Acetate from Ethanol and Acetic Acid	Now enter the Description. “Irreversible reaction for synthesis of Ethyl Acetate from Ethanol and Acetic Acid.”
Point to Components, Stoichiometry and Reaction Orders	Next part is a table of Components, Stoichiometry and Reaction Orders.
Point to Name field	First column Name shows the available compounds here.
Point to Molar Weight	Second column corresponds to its Molar Weight
Point to Include	Next column is Include. Under Include, check all the check boxes.
Point to BC Check Ethanol check box	The fourth column is BC. Under BC, check the Ethanol check box as Ethanol is the base component.
Point to Stoich. Coeff	Next column is Stoich. Coeff. (stoichiometric coefficients)
Stoich. Coeff >> Ethanol: -1, Acetic Acid: -1, Water: 1, Ethyl Acetate: 1	Under Stoic Coeff column, enter: -1 for Ethanol -1 for Acetic Acid 1 for Water. and 1 for Ethyl Acetate Then press Enter.
Point to Stoichiometry field	In the Stoichiometry field, we can see it is showing OK.
Point to Equation field	Here the Equation field shows the reaction equation.
Point to DO	Next column is DO.
DO >> Ethanol: 1 Acetic Acid : 1	We are considering the reaction to be elementary. So under DO column, enter: 1 for Ethanol 1 for Acetic Acid. And then press Enter.
Point to RO	Next column is RO. Since we are considering an irreversible reaction, we will not enter anything here.
Point to Kinetic Reactions Parameters	Then comes Kinetic Reactions Parameters.
Basis >> Molar Concentrations	Our rate is in terms of molar concentration. So we will select Basis as Molar Concentrations.
Fase >> Liquid	Select Fase as Liquid, if not already selected.
Tmin (K) >> 300 Tmax (K) >> 2000	Enter Tmin(K) as 300, Tmax(K) as 2000.
Point to Direct and Reverse Reactions Velocity Constant Direct Reaction: A >> 0.005	Now go to Direct and Reverse Reactions Velocity Constant. In Direct Reaction, enter A as 0.005.
Click on OK Close Chemical Reactions Manager window.	Click on OK and close Chemical Reactions Manager window.
	Now let us insert a Continuous Stirred Tank Reactor to the flowsheet.
Go to Object Palette>>Unit Operations Click and drag Continuous Stirred Tank Reactor to the flowsheet	Go to Object Palette. Under Unit Operations, Click on the Continuous Stirred Tank Reactor. Drag and drop it to the flowsheet.
	Let us now arrange it as required.
	And then let us insert one Output Stream.
Click and drag Material Stream to the flowsheet	To do that let us drag one Material Stream.
	Let us once again arrange it.
	Leave that stream as unspecified.
Type Product	We will change the name of this stream to 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 Continuous Stirred Tank Reactor	We are now ready to specify the Continuous Stirred Tank Reactor. Let’s click on it.
	On the left, we can see a tab displaying properties related to the CSTR.
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 Product.	Next, click on the drop-down against Outlet Stream 1 and select 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.
Specify Reactor Volume >> 0.14 m3 Press Enter	Then click on the field against Reactor Volume and enter 0.14 m3 Then press Enter.
	Now we will run the simulation.
Click Solve Flowsheet	So, from the toolbar, click on Solve Flowsheet button.
Click Continuous Stirred Tank Reactor	When the calculations are completed, click on the Continuous Stirred Tank Reactor in the flowsheet.
Hover mouse at Results	From the Property Editor Window of CSTR, locate Results section.
Results >> General	Under the General tab, click Residence time. It is 0.033 h.
Results >> Conversions	Now go to Conversions tab. Here for Ethanol, the conversion is 99.5% and for Acetic Acid, it is 95.5%.
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 Results - Continuous Stirred Tank Reactor	Enter Name as Results – Continuous Stirred Tank Reactor.
Type Material Stream	Enter Object Type as Material Stream. By default, Material Stream is already selected. So we will not change it.
Object >> Feed and Product	Under Properties to display, select Object as Product and Feed.
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 Liquid Phase (Mixture) Volumetric Fraction Molar Flow (Mixture) / Ethanol Mass Flow (Mixture) / Ethanol Molar Flow (Mixture) / Acetic Acid Mass Flow (Mixture) / Acetic Acid Molar Flow (Mixture) / Water Mass Flow (Mixture) / Water Molar Flow (Mixture) / Ethyl Acetate Mass Flow (Mixture) / Ethyl Acetate
Close this window.	Close this window.
	Move the Master Property Table for better visibility. Here we can see the corresponding results for Product and Feed.
	Let's summarize.
Slide Number 7 Summary	In this tutorial, we have learnt to Simulate a Continuous Stirred Tank Reactor Calculate Conversion and Residence time for a reaction in a CSTR
Slide Number 8 Assignment Compounds: Methyl Acetate, 1-Butanol, Methanol, N-Butyl Acetate Property Package: Raoult's Law Inlet stream: Mass Flow: 3600kg/h Mole Fraction(CH3OH): 0.1 Mole Fraction(C4H9OH): 0.45 Mole Fraction(CH3COOCH3): 0.45 Temperature: 75 degree C Pressure: 5 bar CSTR Dimensions: Volume: 4 m3 Reaction rate:rA = KCACB = 0.01 1/s, n = 2	As an assignment, Repeat the simulation with different compounds and thermodynamics. Different feed conditions Different PFR dimensions and reaction kinetics
Slide Number 9 About the Spoken Tutorial Project	Watch the video available at the 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 those who do this. 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 those who do this. 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