View source for DWSIM/C3/Heterogeneous-Catalytic-Reaction/English-timed

{|border=1
||'''Time'''
||'''Narration'''
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||00:01
|| Welcome to this tutorial on Simulating a '''PFR '''using '''Heterogeneous Catalytic Reaction '''in''' DWSIM.'''

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|| 00:09
|| In this tutorial, we will learn to:

Define a '''Heterogeneous Catalytic''' reaction

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|| 00:15
|| Define parameters for '''Plug Flow Reactor '''required to simulate a '''HCR'''

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|| 00:21
|| Calculate '''Conversion''' and '''Residence time''' for '''HCR''' in a '''PFR'''

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|| 00:27
|| To record this tutorial, I am using

'''DWSIM 5.6 (Classic UI) Update 8 '''and  '''Windows 10'''

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|| 00:37
||The process demonstrated in this tutorial is identical in other OS also such as-

'''Ubuntu Linux''',  '''Mac OS X''' or  '''FOSSEE OS''' on '''ARM'''.

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|| 00:48
|| 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.

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|| 01:02
|| The prerequisite tutorials are available on this website'''.'''

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|| 01:07
||You can access these tutorials and all the associated files from this site.
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|| 01:13
|| We will develop a flowsheet to determine the exit composition from an Isothermal '''PFR '''with '''Heterogeneous Catalytic Reaction'''.

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|| 01:21
||Here we give '''Inlet stream conditions''', '''Property package''' and '''Reactor Parameters.'''

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|| 01:27
|| Next, we give the '''Catalyst properties''' and '''Gas constant.'''
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||01:32

|| Now we give the '''reaction rate''' and its '''coefficients'''.

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||01:37
|| Here we give the '''reaction rate''' '''coefficients'''.
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|| 01:41
|| Before we start the '''simulation''', we will simplify the '''rate expression'''.
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|| 01:46
|| We will substitute the coefficients in the '''rate''' for the numerator and denominator separately.

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|| 01:53
||This will be helpful when we have to enter the reaction '''rate''' for '''Heterogeneous Catalytic reaction'''.
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|| 02:00
|| In the rate expression, we will assign the variables for partial pressure of '''reactants''' and '''products'''.
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|| 02:07
|| '''R''' corresponds to '''reactants.'''

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|| 02:10
||Partial pressure of '''Methane''' is '''R1''' and '''Water''' is '''R2'''.

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|| 02:16
||'''P''' corresponds to '''products'''.

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|| 02:19
||So the partial pressure of '''Hydrogen''' is '''P1''' and '''Carbon monoxide(CO)''' is '''P2'''.
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|| 02:26
|| The numerator term in the '''rate expression''' is this.

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|| 02:31
||Substituting the values of small '''k<sub>1'''</sub>, capital '''K<sub>1'''</sub> and '''partial pressure''' terms, the numerator becomes like this.
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|| 02:40
|| The denominator term in the '''rate expression''' is this.

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|| 02:45
||Substituting the values of '''rate coefficients''' and '''partial pressure''' terms, the denominator becomes like this.
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|| 02:54
|| We have simplified the '''rate expression''' to be entered in '''DWSIM'''.

Now we will start the simulation.
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||03:02
|| I have already opened '''DWSIM'''.

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|| 03:07
||Go to '''File''' menu and select '''New Steady-state Simulation.'''
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|| 03:12
|| '''Simulation Configuration Wizard''' window appears.
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|| 03:16
|| Click on '''Next '''button at the bottom.
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|| 03:20
|| First, we will add the compounds.
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|| 03:23
|| In the '''Compounds Search '''tab, type '''Methane.'''

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|| 03:27
||Select '''Methane '''from '''ChemSep database'''.
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|| 03:31
|| Next, add '''Water''' from '''ChemSep database'''.
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|| 03:36
|| Then, add '''Hydrogen''' from '''ChemSep database'''.
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|| 03:41
|| Next, add '''Carbon monoxide''' from '''ChemSep database'''.
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|| 03:46
|| Next, add '''Carbon dioxide''' from '''ChemSep database'''.


Now, all the compounds are added.
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|| 03:54
|| Click on '''Next''' button at the bottom.
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|| 03:58
|| Now comes '''Property Packages.'''
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|| 04:01
|| From '''Available Property Packages''' list, double-click on '''Peng-Robinson (PR) '''option.
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|| 04:07
|| Then click on the '''Next '''button at the bottom.
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|| 04:11
|| Next option is '''System of Units.'''
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|| 04:15
|| Under '''System of Units, '''we will select '''C5'''. 
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|| 04:20
|| Then at the bottom, click on the '''Finish '''button. 
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|| 04:24
|| Let us maximize the '''simulation''' window.
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|| 04:27
|| Now let's insert a feed stream that enters the '''Reactor'''.
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|| 04:32
|| At the bottom of the main '''simulation''' window, go to '''Streams.'''
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|| 04:36
|| From the displayed list, drag and drop a '''Material Stream '''to the '''Flowsheet'''.
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|| 04:41
|| Click on the '''material stream''' named '''MSTR-000.'''
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|| 04:47
|| Let’s change the name of this '''stream''' to '''Feed.'''
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|| 04:51
|| Now we will specify the '''Feed stream''' properties.
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||04:56
|| Go to '''Input Data.'''

Under '''Stream Conditions tab''', select '''Flash Spec''' as '''Temperature and Pressure (TP),''' if not already selected.
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|| 05:06
|| By default, '''Temperature '''and''' Pressure '''are already selected as '''Flash Spec.'''
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|| 05:12
|| Change '''Temperature''' to '''730 degree Centigrade''' and press '''Enter.'''
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|| 05:18
|| Change '''Pressure''' to '''1.01325 bar''' and press '''Enter.'''
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|| 05:25
|| Change '''Mass Flow''' to '''300 kg per hour''' and press '''Enter.'''
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|| 05:31
|| Now let us specify the '''Feed stream''' compositions.

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|| 05:36
||For this under '''Input Data''' click on '''Compound Amounts''' tab.
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|| 05:41
|| Choose the '''Basis''' as '''Mole Fractions''', if not already selected.

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|| 05:46
||By default, '''Mole Fractions''' is already selected as '''Basis.'''
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|| 05:51
|| Now for '''Methane''', enter the '''Amount''' as '''0.4975''' and press '''Enter.'''
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|| 05:59
|| For '''Water, '''enter '''0.4975''' and press '''Enter'''.
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|| 06:06
|| For '''Hydrogen, '''enter '''0.005''' and press '''Enter'''.
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|| 06:12
|| For '''Carbon monoxide, '''enter '''0''' and press '''Enter'''.
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||06:17
|| For '''Carbon dioxide''',''' '''enter '''0''' and press '''Enter'''.
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|| 06:22
|| On the right, click on the '''Accept Changes''' button.
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|| 06:26
|| Now we will define the '''Heterogeneous Catalytic Reaction.'''
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|| 06:30
|| Under '''Tools''', click on '''Reactions Manager'''. 

'''Chemical Reactions Manager''' window opens.
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|| 06:39
|| Under '''Chemical Reactions''' tab, click on the green coloured '''Add Reaction''' button.
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|| 06:45
|| Click on '''Heterogeneous Catalytic.'''
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|| 06:49
|| '''Heterogeneous Catalytic Reaction '''window opens.
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|| 06:53
|| Under '''Identification,''' enter the '''Name''' as '''Steam Reforming.'''
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|| 06:59
|| Next, type the '''Description '''as, “'''Catalytic Reaction for Steam Reforming'''”
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|| 07:06
|| Next part is a table of '''Components and Stoichiometry.'''
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|| 07:11
|| First column '''Name,''' shows the available components here.
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|| 07:16
|| Second column corresponds to its '''Molar Weight.'''
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|| 07:20
|| Third column corresponds to its '''Heat of Formation.'''
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|| 07:24
|| Next column is '''Include.'''

Under '''Include''', check the check boxes against '''Methane''', '''Water''', '''Hydrogen''' and '''Carbon monoxide'''.
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|| 07:38
|| '''Carbon dioxide''' doesn’t take part in this reaction. 

We will keep it unchecked.
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|| 07:45
|| Fourth column is '''BC.'''

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|| 07:48
||Under '''BC''', check the '''Methane''' check box as '''Methane '''is the base component.
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|| 07:54
|| Next column is '''SC (stoichiometric coefficient)'''
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|| 07:59
|| Under '''SC''' column, enter '''-1''' for '''Methane''', '''-1''' for '''Water''', '''3 '''for''' Hydrogen''', '''1''' for '''Carbon monoxide''', '''0''' for '''Carbon dioxide'''

Then press '''Enter'''.
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|| 08:18
|| In the '''Stoichiometry '''field, we can see it is showing '''OK'''.
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|| 08:23
|| Here''' '''the '''Equation '''field shows the reaction equation.
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|| 08:27
|| Next part is '''Heterogeneous Kinetic Reaction Parameters.'''
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|| 08:32
|| Select '''Basis''' as '''Partial Pressures.'''
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|| 08:36
|| Select '''Phase''' as '''Vapor.'''
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|| 08:40
|| We will leave '''Tmin''' and '''Tmax''' field as unchanged.
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|| 08:46
|| Now we will specify the '''reaction rate'''.
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|| 08:50
|| Go to '''Reaction Rate  = Numerator upon Denominator.'''
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|| 08:56
|| The '''reaction rate''' is to be entered separately as '''Numerator''' and '''Denominator.'''

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|| 09:01
||We have already simplified the '''Numerator''' and '''Denominator''' part separately.
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|| 09:07
|| We will enter the '''Numerator''' part first.

Type the equation as shown here.
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|| 09:16
|| Now we will enter the '''Denominator''' part.

Type the equation as shown here.
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|| 09:23
|| Now we will specify the units for '''Amount''' and '''Velocity'''.
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|| 09:29
|| Select '''Amount Unit''' as '''atmosphere''' from the drop-down.

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|| 09:35
||The '''Reaction Rate '''is expressed in terms of '''Partial Pressure, '''whose unit is '''atmosphere.''' 
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|| 09:42
|| From the drop-down select '''Velocity Unit''' as '''kmol per kg hour.'''

This is the unit for the '''Reaction Rate'''.
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|| 09:52
|| Click on the '''OK''' button at the bottom.
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|| 09:56
|| Now go to the '''Flowsheet''' area.
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|| 09:59
|| We will use a '''Plug Flow Reactor''' for the simulation.
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|| 10:03
|| At the bottom of the main '''simulation''' window, go to '''Reactors '''tab.
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|| 10:08
|| Drag and drop a '''Plug-Flow Reactor(PFR)''' to the flowsheet area.
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|| 10:12
|| Let us arrange it as required.
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|| 10:15
|| And then let us insert one '''Output Stream'''.
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|| 10:19
|| To do that let us drag one '''Material Stream.'''
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|| 10:24
|| Let us once again arrange it in the '''flowsheet'''.
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|| 10:28
|| Leave that '''stream''' as unspecified.
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|| 10:32
|| We will change the name of this '''stream''' to '''Product.'''
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|| 10:37
|| Let us now insert one '''Energy Stream.'''
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|| 10:41
|| Name this '''stream''' as '''Energy.'''
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||10:44
|| We are now ready to specify the '''Plug-Flow Reactor.'''

So let’s click on it.
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|| 10:50
|| On the left, we can see a tab displaying properties related to the '''PFR.'''
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|| 10:56
|| Under '''Connections,''' click on the drop down against '''Inlet Stream.'''

Select '''Feed.'''
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|| 11:04
|| Click on the drop down against '''Outlet Stream''' and select '''Product.'''
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|| 11:11
|| Click on the drop down against '''Energy Stream''' and select '''Energy.'''
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|| 11:18
|| Now, go to the '''Calculation Parameters.'''
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|| 11:22
|| In this section, the first option is '''Reaction Set.'''

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|| 11:27
||By default, it is '''Default Set'''.

Since we have only one reaction, we leave it as it is.
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|| 11:35
|| Click on the drop down against '''Calculation Mode''' and select '''Isothermic.'''
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|| 11:42
|| Click on the field against '''Reactor Volume''' and enter 1''' m<sup>3.'''</sup>(meter cube)

and press '''Enter.'''
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|| 11:50
|| Click on the field against '''Reactor length''' and enter it as '''1 meter.'''

Then press '''Enter.'''
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|| 11:59
|| Click on the field against '''Catalyst Loading''' and enter it as '''0.386 kg per meter cube '''

and press '''Enter.'''
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|| 12:10
|| Click on the field against '''Catalyst Particle Diameter''' and enter it as 2''' millimeter'''

and press '''Enter.'''
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|| 12:19
|| Click on the field against '''Catalyst Void Fraction''' and enter it as '''0.4.'''

Then press '''Enter.'''
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|| 12:29
|| Wait for a few seconds.

The flowsheet is getting '''simulated'''.
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|| 12:34
|| Once again, we will run the '''simulation'''.
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|| 12:37
|| To do this, click on '''Solve Flowsheet''' button.
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|| 12:41
|| When calculations are completed, click on the '''PFR''' in the flowsheet. 
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|| 12:46
|| Locate '''Results''' section.
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|| 12:49
|| Under '''General''' tab, check '''Residence time.'''

It is '''0.00068 hour.'''
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|| 12:56
|| Under '''Conversions''' tab, check conversion for both the reacting compounds.

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|| 13:02
||For '''Methane,''' the conversion is '''80.67%''' and for '''Water,''' it is '''80.67%.'''

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|| 13:11
|| To check the material balances go to '''insert''' option from the toolbar. 
Select '''Master property table'''

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|| 13:21
|| Double click on the '''Master property table''' to edit it.

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|| 13:25
|| '''Configure Master property table '''window opens

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|| 13:29
|| Enter the name as Stream Wise Results Heterogeneous catalytic Reaction

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|| 13:35
|| Type '''Object type''' as '''material stream''' By default  '''material stream''' is already selected so we will not change it

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|| 13:45
|| Under '''Property to Display''' select object as '''Feed '''and '''Product'''

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|| 13:51
|| Under '''Property''' select the properties as '''Temperature, Pressure, Mass Flow, Molar Flow'''

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|| 14:05
|| '''Molar Flow Mixture Methane, Mass flow mixture Methane'''

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|| 14:12
|| '''Molar Flow Mixture Water, Mass flow mixture Water'''

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|| 14:19
|| '''Molar Flow Mixture Hydrogen, Mass flow mixture Hydrogen'''

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|| 14:26
|| '''Molar Flow Mixture Carbon monoxide, Mass flow mixture Carbon Monoxide'''

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|| 14:34
|| '''Molar Flow Mixture Carbon dioxide, Mass flow mixture Carbon dioxide'''

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|| 14:41
|| Close this window

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|| 14:44
|| Move the '''Master Property Table''' for better visibility

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|| 14:49
|| Here we can see the corresponding results for '''Product''' and '''Feed'''

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|| 14:56
|| Let's summarize.
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|| 14:58
|| In this tutorial, we have learnt to 

Define a '''Heterogeneous Catalytic''' reaction,  Define parameters for '''Plug Flow Reactor '''required to simulate a '''HCR''',  Calculate '''Conversion''' and '''Residence time''' for '''HCR''' in a '''PFR'''

|-
|| 15:15
||As an assignment,

Add two more '''Heterogeneous Catalytic reactions''' for the existing '''PFR system'''.

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|| 15:22
||'''Feed Stream''' conditions and '''Plug-Flow Reactor''' parameters remain unchanged.
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|| 15:28
|| Here we give the '''reaction rates''' and its coefficients. 
|-
|| 15:33
|| Watch the video available at following link.

It summarizes the Spoken Tutorial project.
|-
|| 15:41
|| The Spoken Tutorial Project Team conducts workshops and gives certificates.

For more details, please write to us.
|-
||15:51
||Please post your times queries in this forum. 
|-
|| 15:56
||The '''FOSSEE''' team coordinates conversion of existing flow sheets into '''DWSIM.''' 

|-
|| 16:01
||We give honorarium and certificates. 

For more details, please visit this site. 

|- 
||16:08
||The '''FOSSEE''' team coordinates coding of solved examples of popular books. 

|-
||16:14
||We give honorarium and certificates. 

For more details, please visit this site. 

|- 
||16:22
||The '''FOSSEE''' team helps migrate commercial simulator labs to '''DWSIM.''' 

|-
|| 16:29
||We give honorarium and certificates. 

For more details, please visit this site. 
|-
|| 16:37
|| '''Spoken Tutorial''' and '''FOSSEE''' projects are funded by '''NMEICT, MHRD''', Government of India.
|-
|| 16:46
|| This tutorial is contributed by Kaushik Datta and Priyam Nayak.

Thanks for joining.
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|}