Structured Training on Process Simulation Package

ITEC Training Program on “Petroleum Refining Technology”

For
Participants of Mongol refinery Project

By
CSIR-IIP Modelling & Simulation Group
 Introduction
• What is process simulation? – representative modelling/mimic of process

• Why it is needed? Improve process understanding, optimize process

• Benefits: ensures safety, what if analysis, confidence of process

• Aspen Plus
• Developer:Aspen Tech
• Commercial
• Hysys
• Developer:Aspen Tech
• Commercial
• Pro/II
• Developer:AVEVA SimSci
• Commercial
• ChemCAD
• Developer:Chemstations Inc
• Commercial
• UniSim
• Developer:Honeywell
• Commercial
• DWSIM
• Developer:Daniel Medeiros
• Open source
 Introduction to DWSIM
• DWSIM is a free and open source Chemical Process Simulator
• Runs on Windows, Linux and macOS
• Features set comparable to commercial simulators
• You can see how calculations are done
• Solution Inspector (new in v5.2 onwards)
 Installation of DWSIM on Windows

• Download DWSIM.
Scroll
Down
Wait for 5-10 sec till download link is generated
Save the file to PC
After downloading to start installation double click on
‘DWSIM_bin_v58u6_setup_win7win8win10_64bit’ Application(.exe) file
Select language for installation and click ‘ok’
• Read and click on ‘I Agree’ to agree GNU General Public License terms and
conditions.
• The GNU general Public License is a free license for software and other kind of work
Select all the setups u want to install
Browse and select destination for installation
Click ‘Install’ to start installation
Wait for installation
Click ‘Next’ when installation is completed.
• Click ‘Finish’
 Introduction to interface
• First window that appears on opening DWSIM.
 Introduction to interface
• Click on New Steady State Simulation to start simulation
 Introduction to interface
• Click on next to start simulation.
 Introduction to interface
• Search the compounds required for process & check the box to add to simulation.
 Introduction to interface
• All the added compounds appear in the list. After adding all compounds click on Next
 Introduction to interface
• New window to add property packages appear. Double clicking on property package to add to
simulation. All added property packages appear in the right window. Click next to continue.
 Introduction to interface
• Select suitable system of units for simulation and click on Finish
 Introduction to interface
• Blank simulation window appears.
 Mixing Stream

• Problem Statement
At present 90 wt% pure ethanol is available at room temperature 25 °C. For a process 70 wt% is
required at 60 °C at flow rate of 100kg/hr.
 Mixing Stream

• Problem Statement
At present 90 wt% pure ethanol is available at room temperature 25 °C. For a process 70 wt% is
required at 60 °C at flow rate of 100kg/hr.

Mass balance
E+W=100

Component balance for ethanol

0.9E + 0W = 0.7x100
E = 77.78 kg/hr
W = 22.22 kg/hr
 Mixing Stream

• Drag and drop material stream to simulation window.

• Click on material stream to edit stream conditions and stream composition.

Compositions
Temperature, Pressure, Flowrate
• Drag and drop Mixer to simulation window.
• Click on mixer and connect inlet an outlet streams.

Inlet Connection

Outlet Connection
 Stream Heater

• Drag and drop Heater to simulation screen.

• Connect inlet, outlet and energy streams to heater.
• Various options for adding calculation parameters are
Heat Added/Removed –Need to specify power of
heater
Temperature Change – Need to specify Change in
temperature (ΔT).
Outlet Temperature – Need to specify Outlet
Temperature.
Outlet Vapour Mole Fraction – Need to specify
Outlet Vapour fraction.
With anyone of the above parameter Pressure drop
and efficiency of heater are also needed.
• On defining any one of the above parameters rest of
the parameters will be calculated.
 Centrifugal Pump

• PROBLEM STATEMENT

• Required volumetric flow rate = 5 m3/hr

• Thus, Mass flowrate= 1.38478 kg/s
• Diameter of pipe (STD 1 inch) D=26.64 mm = 0.02664 m
𝜋𝐷2
• 𝐶𝑟𝑜𝑠𝑠 𝑠𝑒𝑐𝑡𝑖𝑜𝑛 𝑎𝑟𝑒𝑎 = = 5.57 ∗ 10−4 𝑚2
4
5 𝑚 𝑚
𝐿𝑖𝑛𝑒𝑎𝑟 𝑣𝑒𝑙𝑜𝑐𝑖𝑡𝑦 = = 8976.67 = 2.5
5.57 ∗ 10−4 ℎ𝑟 𝑠
0.02664 4
𝑅𝑒 = 2.5 ∗ ∗ 1000 = 7.4831 ∗ 10
8.9 ∗ 10−4
Relative roughness coefficient
𝜀𝑃𝑉𝐶 𝑝𝑖𝑝𝑒 = 0.0015

𝜀 0.0015
= = 0.05
𝐷 0.02664
 Centrifugal Pump
𝜀
= 0.05
𝐷

𝑓 = 0.075

𝑅𝑒 = 7.4831 ∗ 104
 Centrifugal Pump

• From figure𝑓 = 0.075

𝑉2 𝑓𝐿 𝑉2
• ∆𝐻 = +𝑧+ + 2 ∗ 𝐾45°𝑒𝑙𝑏𝑜𝑤 + 𝐾90°𝑒𝑙𝑏𝑜𝑤 2𝑔
2𝑔 𝐷

2.52 (0.5 + 2 + 100 + 4 + 6) 2.52

= + 24 + 0.075 ∗ + 2 ∗ 0.32 + 1.1 ∗
2 ∗ 9.8 0.02664 2 ∗ 9.8
∆𝐻 = 125.87
𝑃 = 𝑚𝛥𝐻𝑔 = 1.38478 ∗ 125.87 ∗ 9.8 = 1708 𝑊
𝐸𝑓𝑓𝑖𝑐𝑖𝑒𝑛𝑐𝑦 𝑜𝑓 𝑝𝑢𝑚𝑝 𝑏𝑒 60%

𝟏𝟕𝟎𝟖
𝑷= = 𝟐𝟖𝟒𝟕 𝑾
𝟎. 𝟔
 Centrifugal Pump

• Add material stream and specify its parameters.

• Drag and drop pipe section and connect inlet and
outlet material streams and energy stream
• Specify hydraulic profile, material and diameter of
pipe section.
 Centrifugal Pump
• Specify hydraulic profile for second pipe section
 Centrifugal Pump
• Mention thermal profile of pipe section if required
 Centrifugal Pump

• Add centrifugal pump and connect inlet outlet material

streams and energy stream
• Calculation parameters to be specified for pump are
Pressure Increase – Specify pressure increase and
efficiency of pump

Outlet pressure – Specify outlet pressure and efficiency of

pump

Power Required – Specify power and efficiency of pump

Performance Curve – Specify data for performance curve of

pump
Centrifugal Pump
 Centrifugal Pump
• Add pipe section and give its hydraulic profile
• Add storage tank and specify its volume.
 Centrifugal Pump
• If in case calculations is wrong and we specify less power than required then it shows error
as “Negative pressure generated in pipe.”
 Flash drum examples

• Mixture of Methanol(10 mole %) and carbon dioxide(90 mole %) at 50 bar and 273 K is flashed
in flash drum operating at 5 bar and 283 K.
• Add and specify material stream composition, temperature and pressure
• Add Gas-Liquid separator from Separator/Tank tab
• Add outlet streams and energy streams to separator tank.
• Specify calculation parameters, Temperature and pressure of separator tank.
 Flash drum examples

• Equimolar mixture of benzene and toluene at 5 bar and 423 K is flashed in flash drum
operating at atmospheric pressure.
• Add and specify feed stream composition, temperature and pressure.
• Add a pressure reducing valve and set outlet pressure as atmospheric pressure.
• Add Gas-Liquid separator from Separator/Tank tab
• Connect inlet stream and add outlet streams and energy streams to separator tank.
• Specify energy stream duty as 0 kW.
Flash drum examples
 Heat Exchanger
• Problem Statement
• Design a shell and tube heat exchanger to sub-cool condensate from a methanol condenser
from 95 °C to 40 °C.
Flow-rate of methanol 100,000 kg/h. Brackish water will be used as the coolant, with a
temperature rise from 25 °C to 40 °C.
 Heat Exchanger

• Solution: Use one shell pass and two tube passes

• Coolant is corrosive, so assign to tube-side. 𝑚𝐶𝑝 𝑡𝑢𝑏𝑒 𝑠𝑖𝑑𝑒 𝑇1 −𝑇2 95−40
• 𝑅= = = 40−25 = 3.67
𝑚𝐶𝑝 𝑠ℎ𝑒𝑙𝑙 𝑠𝑖𝑑𝑒 𝑡2 −𝑡1
• Heat capacity methanol = 2.84 kJ/kg °C
𝑡 −𝑡 40−25
• Methanol flowrate (W) = 100000kg/hr = 27.27 kg/s • 𝑆 = 𝑇2 −𝑡1 = 95−25 = 0.21
1 1
100000 • 𝐹𝑡 = 0.85
• 𝐻𝑒𝑎𝑡 𝐿𝑜𝑎𝑑 = ∗ 2.84 95 − 40 = 4340 𝑘𝑊
3600
• 𝛥𝑇𝑚 = 0.85 ∗ 30.79 = 26.17°𝐶
Heat capacity water = 4.2 kJ/kg °C
4340 𝑘𝑔
• 𝐶𝑜𝑜𝑙𝑖𝑛𝑔 𝑤𝑎𝑡𝑒𝑟 𝑓𝑙𝑜𝑤 = 4.2 = 68.9
40−25 𝑠

95 − 40 − 40 − 25
𝛥𝑇𝑙𝑚 = = 30.79°𝐶
95 − 40
ln
40 − 25
 Heat Exchanger

𝑅 = 3.67
0.85

𝑆 = 0.21
Heat Exchanger

600 W/m2 ºC
 Heat Exchanger

U= 600 W/m2 C
Q=UAΔTm
4340∗103
𝐴𝑟𝑒𝑎 = = 278m2
26∗600

Choose 20 mm o.d., 16 mm i.d., 4.88-m-long tubes.

 Heat Exchanger

Allowing for tube-sheet thickness, take

L = 4.83 m
Area of one tube = 4.83*20*10-3 π = 0.303 m2

Number of tubes=278/0.303=917.49≈918

As the shell-side fluid is relatively clean use 1.25 triangular pitch.

Tube pitch = p = 1.25*20 = 25 mm
1
918 2.207
𝐵𝑢𝑛𝑑𝑙𝑒 𝑑𝑖𝑎𝑚𝑒𝑡𝑒𝑟 𝐷𝑏 = 20 ∗ = 826 𝑚𝑚
0.249
Use a Split-ring floating head type.
• Bundle diametrical clearance = 68 mm
• shell diameter Ds = 826 + 68 = 894 mm.
4.88
Ratio of tube length to shell diameter= = 5.46
0.894
Thus tube length is optimum (The optimum ratio is between 5-10)
 Heat Exchanger

𝐷𝑠 894 𝐺𝑠 868 𝑚
𝐵𝑎𝑓𝑓𝑙𝑒 𝑠𝑝𝑎𝑐𝑖𝑛𝑔 = 𝑙𝐵 = = = 178 𝑚𝑚 𝐿𝑖𝑛𝑒𝑎𝑟 𝑣𝑒𝑙𝑜𝑐𝑖𝑡𝑦 = 𝑢𝑠 = = = 1.16
5 5 𝜌 750 𝑠
Shell side pressure drop 𝐺𝑠 𝑑𝑒
𝑅𝑒 = = 36762
𝜇
𝑝−𝑑 Viscosity of methanol=0.34*10-3 Ns/m2
𝐴= ∗ 𝐷𝑠 ∗ 𝐵𝑎𝑓𝑓𝑙𝑒𝑠𝑝𝑎𝑐𝑖𝑛𝑔 = 0.032 𝑚2
𝑝
From the fig. for Re=36762
𝑝 𝜋 𝑑2
4 2 ∗ 0.87𝑝 − 2 4 1.10 2 𝐽𝑓 = 4 ∗ 10−2
𝑑𝑒 = = 𝑝 − 0.917𝑑 2 = 14.4 𝑚𝑚
𝜋𝑑 𝑑
2 Neglect viscosity correction

𝑊 27.78 𝑘𝑔 𝐷𝑠 𝐿 𝜌𝑢𝑠2
𝐺𝑠 = = = 868 2 ∆𝑃 = 8𝐽𝑓
𝐴 0.032 𝑚 𝑠 𝑑𝑒 𝑙𝐵 2

∆𝑷 = 𝟐𝟕𝟐, 𝟎𝟏𝟗 𝑵/𝒎𝟐 𝒕𝒐𝒐 𝒉𝒊𝒈𝒉,

Heat Exchanger
 Heat Exchanger

could be reduced by increasing the baffle pitch.

Doubling the pitch halves the shell-side velocity, which reduces the pressure drop by a factor
1 2
of approximately 2
272
∆𝑃 = = 68 𝑘𝑃𝑎, 𝑎𝑐𝑐𝑒𝑝𝑡𝑎𝑏𝑙𝑒
4
𝐵𝑎𝑓𝑓𝑙𝑒 𝑠𝑝𝑎𝑐𝑖𝑛𝑔 = 2 ∗ 178 = 𝟑𝟓𝟔 mm
 Heat Exchanger
• Taking fouling factor from table
 Heat Exchanger
Thus from all above calculation we have shell and tube heat exchanger parameters
Heat Exchanger
 Heat Exchanger
• We can also simulate Heat exchanger using some different input parameters
• Define the required parameters and the rest will be calculated
 Binary Distillation Column

• Problem Statement
A mixture of benzene and toluene containing 40 mole percent benzene is to be separated
to give a product containing 96 mole percent benzene at the top, and a bottom product
containing not more than 4 mole percent benzene. The feed enters the column at its boiling
point.
• Add a material stream and specify its conditions and composition
• Add a Shortcut Distillation column
• Connect feed distillate and residue streams.
Also connect energy streams to reboiler and condenser
• Specify type of condenser, light and heavy component and required compositions of
distillate and residue.
 Distillation using shortcut column

Top and bottom composition

 Distillation using shortcut column
• Result
 Distillation using Rigorous distillation column

• Rigorous column also allows us to give

multiple feed inputs and number of side
streams.
• Add distillation column to simulation
connect all feed, distillate and residual
streams. Also connect the energy streams
 Distillation using Rigorous distillation column

• Define column general specifications like maximum number of stages (calculated using
shortcut column)
• In column specifications we also need to give condenser specifications like pressure,
pressure drop and type of condenser total condenser, partial condenser, total reflux.
 Distillation using Rigorous distillation column

• Defining parameters for reboiler (can be calculated using shortcut column)

 Distillation using Rigorous distillation column
• Now in column configuration specify connections of material stream, energy stream, side
draws (if any), distillate and bottom product (calculated using shortcut column)
Stream Connections:
Distillation using Rigorous distillation column
 Distillation using Rigorous distillation column
Stream-Stage Association
 Distillation using Rigorous distillation column
• Run the simulation and check whether desired separation is achieved
Check the compositions of distillate and bottom product.
• Benzene recovered = 39 mole = 97.50%
Toluene recovered = 59 moles = 98.33%
Compound Feed Distillate Bottom Product
Mole % Moles Mole % Moles Mole % Moles
Benzene 40 40 97.5 39 1.67 1
Toluene 60 60 2.50 1 98.33 59
Distillation using Rigorous distillation column
Distillation using Rigorous distillation column
Distillation using Rigorous distillation column
Distillation using Rigorous distillation column
 Distillation using Rigorous distillation column

Top purity Condenser Bottom Reboiler

duty (kW) purity duty (kW)

10 90.86 4961.07 93.91 4189.58

12 93.97 4930.60 95.99 4166.60

Number of trays
(R = 3) 14 96.10 4909.19 97.40 4150.50

16 97.50 4894.65 98.33 4139.60

1 77.13 2540.68 84.75 1741.76

2 92.45 3709.27 94.95 2941.46

Reflux ratio (for 16
trays) 3 97.50 4894.65 98.33 4139.60

4 98.69 6102.50 99.14 5350.60

 Using ChemSep column
• Add ChemSep column to simulation window small new window will pop up
Select operation to perform, number of stages, system of units and pressure
• Enter number of stages and feed stage.
• Give pressure specifications.
• Define column stage efficiency.
• Define column specifications
Inlet and Outlet
connections
• Run the simulation and check whether desired separation is achieved
Check the compositions of distillate and bottom product.
• Benzene recovered = 38.8 mole = 97%
Toluene recovered = 58.8 moles = 98%

Compound Feed Distillate Bottom Product

Mole % Moles Mole % Moles Mole % Moles
Benzene 40 40 97 38.8 2 1.2
Toluene 60 60 3 1.2 98 58.8
ChemSep column also provides various profiles in result
 Ternary distillation column

• Problem Statement
• Mixture of Benzene, toluene and xylene is to be separated.
feed composition- Feed at boiling point

Component Mole fraction

Benzene 0.4

Toluene 0.3

M-xylene 0.1

O-xylene 0.1

P-xylene 0.1
 Ternary distillation column

• 99% pure benzene is required in distillate and only 0.01% Should go in bottom stream.
• Calculating actual number of stages, feed stage, minimum and maximum reflux ratio using shortcut column.

Minimum Reflux Ratio 0.782189

Minimum Number of Stages 14.7006

Actual Number of Stages 17.168

Optimal Feed Stage 8.52695
Stripping Liquid 299.99 mol/s
Rectify Liquid 199.99 mol/s
Stripping Vapor 239.99 mol/s
Rectify Vapor 239.988 mol/s
Condenser Duty 7301.45 kW
Reboiler Duty 8727.7 kW
Bottom Flowrate 60 mol/s
 Ternary distillation column

• 99% pure Toluene is required in distillate and only 0.01% Should go in bottom stream.
• Calculating actual number of stages, feed stage, minimum and maximum reflux ratio using shortcut column.

Minimum Reflux Ratio -0.999653

Minimum Number of Stages 15.8941

Actual Number of Stages 15.8946
Optimal Feed Stage 8.63431
Stripping Liquid 210.13 mol/s
Rectify Liquid 150.19 mol/s
Stripping Vapor 180.168 mol/s
Rectify Vapor 180.228 mol/s
Condenser Duty 6005.87 kW
Reboiler Duty 6058.18 kW
Bottom Flowrate 29.96 mol/s
 Ternary distillation column
• Using Rigorous distillation column

ColumnDC-003 specifications Column DC-006 specifications

Feed temperature 373 K Feed temperature 393 K

Number of stages 20
Number of stages 20
Feed stage 9 Feed stage 9

Operating pressure 1 atm Operating pressure 1 atm

Reflux ratio 5
Reflux ratio 5
Bottom product molar 62 mol/s
Bottom product molar 30 mol/s
Flowrate
Flowrate
Ternary distillation column
 Ternary distillation column
• Result:
Benzene recovered = 37.99 moles = 94.98%
Toluene recovered = 27.96 moles = 93.20%
Xylene recovered = 29.97 moles = 99.99%
Component FEED1 D1 B1 D2 B2

x moles Mole % Moles Mole % Moles Mole % Moles Mole % Moles

40
Benzene 0.4 99.97 37.99 03.24 2.01 06.71 2.01 2.06E-06 6.59E-07
30
Toluene 0.3 00.02 0.0079 48.36 29.98 93.23 27.96 6.305 2.01
10
M-xylene 0.1 1.70E-06 6.46E-07 16.12 9.99 0.02 0.008 31.22 9.99
10
O-xylene 0.1 2.45E-07 9.33E-08 16.12 9.99 7.78E-03 0.002 31.24 9.99
10
P-xylene 0.1 1.24E-06 4.72E-07 16.12 9.99 0.02 0.007 31.22 9.99
 Separation of Refinery Light Ends

• Light ends from refinery are to be separated. Purity of product must be more than 99%
• The stream composition is as follows

Mole
Component
Fraction
Ethane 0.0005
Propane 0.3321
Isobutane 0.3583
N-butane 0.1543
Isopentane 0.1030
N-pentane 0.0518
 Separation of Refinery Light Ends

• Three distillation columns are required for separating propane, pentane, n-butane and i-butane.
• Add three ChemSep columns and connect inlet and outlet streams as shown in figure.
Depropanizer
Give number of stages and feed stage.
Give operating top and bottom pressure of column
Give Top and Bottom specifications
Similarly specify second and third column

Debutanizer

Top and bottom

pressures
Deisobutanizer

Top and bottom

pressures
• Light Ends stream at 378 K and 17.4 atm is fed to a distillation column to separate propane from
mixture.
Top product of this column is 99.83% pure propane.
• Bottom product that is mixture of pentane and butane is fed to second column operating at 7.3 atm
to separate pentane from butane. Bottom product of this column is 99.78% pure pentane.
• Top product of second column that is mixture of butane and i-butane is then fed to third column
operating at 7.1 atm to separate n-butane and i-butane. Top product of this column is 97.81% pure
i-butane and bottom product is 97.28% pure n-butane.
Component LIGHT-END Propane Pentane ISOBUTANE RICH BUTANE RICH

x moles Mole % Moles Mole % Moles Mole % Moles Mole % Moles

Ethane 0.0005 6.0165 0.1506% 6.0168 2.8E-18 5.20E-17 1.65E-11 7.22E-10 1.95E-15 3.54E-14

Propane 0.3321 3996.159 99.83% 3987.1 4.8E-9 8.99E-08 0.18% 8.0394 1.38E-15 2.50E-14

i-Butane 0.1543 1856.692 3.44E-05 0.39935 0.01% 0.2035 97.81% 4274 2% 36.29

N-Butane 0.3583 4311.424 0.01% 0.00137 0.02% 3.708 2% 87.4040 97.28% 1765

Pentane 0.1548 1862.708 4.83E-12 1.93E-10 99.81 1850.47 1.46E-14 6.40E-13 7.13E-01 1.29E+01
 Equilibrium Reactor

• Production of dimethyl ether.

Pure methanol is available at room
temperature, using equilibrium reactor
design a process for production of
dimethyl ether.
Reaction :-

2CH3OH  CH3OCH3 + H2O

• Give feed stream composition and
conditions.
 Equilibrium Reactor

• Add feed stream and specify composition, temperature and flowrate.

• Add a stream heater to rise feed temperature.
• Add equilibrium reactor and connect inlet, outlet and energy streams.
• Add cooler to cool outlet stream. Cool the stream to its bubble point to feed to a
distillation column (Column1) that gives distillate (D1) dimethyl ether and bottom product
(B1) mixture of methanol and water.
• Add another distillation column (Column2) to separate methanol (D2) and water (B2).
• Recycle methanol stream (B2) back to equilibrium reactor.
Equilibrium Reactor
• Adding reaction to simulation
• In settings go to reactions tab, click on “+” to add reaction select ‘Equilibrium’
 Include Compounds

Select Base
Component

Reaction
Stoichiometry
Displays OK when
stoichiometry is
balanced

Reaction
phase

Click OK
• After successfully adding reaction to simulation it will be displayed in Chemical Reactions
window.
• Heater and Cooler specifications
• Distillation column specifications
 • Feed to distillation columns

FEED TO COLUMN 1 FEED TO COLUMN 2

Phase properties Phase properties
Temperature 300 K Temperature 348.31 K
Vapour Fraction 0.299 Vapour Fraction 0.299
Mass Flow Rate 42.3402 kg/s Mass Flow Rate 19.3725 kg/s
Molar Flow Rate 1319.22 mol/s Molar Flow Rate 819.034 mol/s
Feed Composition (mole fraction) Feed Composition (mole fraction)
Methanol 0.2409055 Methanol 0.38191879
Water 0.37765261 Water 0.60808271
Dimethyl ether 0.38144189 Dimethyl ether 0.01
• Add recycle block and connect inlet and outlet streams.
• Results of Equilibrium Reactor.

Reactor Outlet Composition (mole fraction)

Methanol 0.2409055
Water 0.37765261
Dimethyl ether 0.38144189
Methanol Conversion 75.6998 %

Property Value Units

Delta-T 91.206 K.
Heat Load 0 kW
Initial Gibbs Free Energy -18858.5 kW
Final Gibbs Free Energy -39126.4 kW
 • Result

Column 1 Column 2
Minimum Reflux Ratio 0.0954447 Minimum Reflux Ratio 0.836618
Minimum Number of Stages 2.34385 Minimum Number of Stages 6.74419
Actual Number of Stages 10.7968 Actual Number of Stages 11.8305
Optimal Feed Stage 5.37673 Optimal Feed Stage 5.33176
Stripping Liquid 974.69 mol/s Stripping Liquid 1297 mol/s
Rectify Liquid 50.018 mol/s Rectify Liquid 478.782 mol/s
Stripping Vapor 155.656 mol/s Stripping Vapor 797.152 mol/s
Rectify Vapor 550.198 mol/s Rectify Vapor 797.971 mol/s
Condenser Duty 12503.7 kW Condenser Duty 28742.5 kW
Reboiler Duty 5039.5 kW Reboiler Duty 28973.2 kW

Feed (1000 mol/s) D1(500 mol/s) B1(820 mol/s) D2(319 mol/s) B2(500 mol/s)
DME 0 98.97 1.00 2.57 6.66E-10
Methanol 100 1.00 38.19 96.43 1.00
Water 0 0.03 60.81 1.00 99.00
 Conversion Reactor
• Combustion of methane using conversion reactor. Pure methane and air is available at room
temperature.
Reaction :-

CH4 + 2O2  CO2 + 2H2O

• From stoichiometry 10 moles of methane requires 20 moles of oxygen.
100 moles of air contains 20.9 moles of oxygen
Thus 95.69 moles of air will contain 20 moles of oxygen.
Feed stream composition and conditions.

Methane Stream
Air Stream
Add conversion reaction to simulation
• Add conversion reactor connect inlet and outlet streams and energy stream to
reactor.
• Run the simulation.
• Result :-
 Plug Flow Reactor
• Steam reforming process :-

CH4 + H2O  3H2 + CO

R1 R2 P1 P2

For the above reaction equation for rate (r) is determined experimentally

Numerator
240100
4.22 ∗ 1015 𝑒𝑥𝑝 − 𝑃13 𝑃2
8.314 ∗ 𝑇 𝑅1𝑅2 −
𝑃12.5 27106
𝑒𝑥𝑝 30.42 −
𝑟= 𝑇
2
70650 38280 88680 𝑅2 82900
1 + 8.23 ∗ 10−5 𝑒𝑥𝑝 𝑃2 + 6.65 ∗ 10−4 𝑒𝑥𝑝 𝑅1 + 1.77 ∗ 105 𝑒𝑥𝑝 − + 6.12 ∗ 10−9 𝑒𝑥𝑝 𝑃
8.314𝑇 8.314𝑇 8.314𝑇 𝑃1 8.314𝑇 1

Expression Variables: Temperature (T) in K, reactant amount (R1, R2) and product
amount (P1, P2) in the selected amount unit, reaction rate (r) in the selected velocity
unit. Denominator
• Add material streams.
• Adding heterogeneous catalytic reaction to simulation.

Numerator

Denominator
• Add a Plug Flow Reactor.
• Result :-
Concentration profile
 Reactive Distillation
Reaction :

r = k*C(Isopropanol)

rʹ = kʹ*C(Isopropyl Ac.)
Methyl Acetate Isopropanol Isopropyl Acetate Methanol

Type equation here.

Forward reaction:
It is first order reaction with respect to Isopropyl Alcohol
k = A exp(-E/RT)
A = 461 sec-1 E = 5600 J/mol

Backward reaction kʹ = Aʹ exp(-Eʹ/RT)

It is first order reaction with respect to Isopropyl Acetate
Aʹ = 73.7 sec-1 Eʹ = 4999 J/mol
 Reactive Distillation

• Add compounds to simulation also

add reaction to simulation.
• Add two feed streams of pure methyl
acetate and isopropyl alcohol at room
temperature and 303975 Pa (3 atm)
• Add ChemSep complex distillation
column.
Give number of stages and feed stages.
Specify reaction
Top and bottom operating pressure
Top and bottom specifications
Connections for reactive distillation column
• Bottom product of this column is pure isopropyl acetate and top product is mixture of
methanol and methyl acetate.
• Feed the top product to another distillation column operated at atmospheric pressure to
separate methanol and methyl acetate.
• Recycle methyl acetate stream to first column.
Feed stage and number stages for recycle column
Top and bottom operating pressure for recycle column
Top and bottom specifications for recycle column
Connections for recycle column
Mass and energy balance for Reactive Distillation Column
Mass and energy balance for Recycle Column