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Requirements
Basic understanding of Plant Design & Operation
Strong Chemical Engineering Fundamentals
Aspen Plus V10 (at least 7.0)
Aspen Plus – Basic Process Modeling (Very Recommended)
Aspen Plus – Intermediate Process Modeling (Somewhat Recommended)
Description
This BOOTCAMP will show you how to model and simulate common industrial Chemical Processes.
It is focused on the “BOOTCAMP” idea, in which you will learn via workshops and case studies, minimizing theory to maximize learning.
You will learn about:
Better Flowsheet manipulation and techniques
Understand Property Method Selection and its effects on simulation results
More than 15 Unit Operations that can be used in any Industry
Model Analysis Tools required for process design
Reporting Relevant Results Plot relevant data
Analysis & Optimization of Chemical Plants
Economic Analysis
Dynamic Simulations
At the end of this Bootcamp, you will be able to model more industrial processes, feel confident when modeling new processes as well as applying what you have learnt to other industries.
3. 1. Introduction
2. Study Cases (4x) – Chemical Processes
3. Study Cases (3x) – Process Analysis
4. Study Cases (3x) – Rigorous Unit Operations
5. Study Cases (2x) – Plant Economy & Dynamic Control
6. Conclusion
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4. Chemical Processes
1. Hydrocarbon Systems
2. BTX Separation
3. Methanol from Syngas
4. Acetaldehyde Plant
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5. Process Analysis
5. Dimethyl Ether Production (Design Spec.)
6. Ammonia in Cryogenics (Optimization & Constraint)
7. Cumene Production (Sensitivity Analysis)
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6. Rigorous Unit Operations
8. Heat-X Rigorous Model (Shell & Tube)
9. RadFrac for Absorption Operations
10. RadFrac in Distillation Operations
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7. Plant Economy & Dynamic Control
11. Ammonia Economics
12. Plant Dynamics & Control
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8. Learn about Aspen Plus and its use in the Industry
Basics of the Physical Property Environment
Flow sheeting techniques
Presenting Results: Plotting, Tables and Results
Model several Chemical Process
Use a variety of unit operations
Converge and debugging
Plant Utilities & Economics
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9. Basic understanding of Plant Design & Operation
Strong Chemical Engineering Fundamentals
Aspen Plus V10 (at least 7.0)
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10. Engineers of the following areas:
Chemical
Process
Plant Design
Production
Petrochemical Engineers
Aspen Plus Users REFRESHERS
Students related to engineering fields, specially Process, Chemical and Biotech.
Instructor/Professors/Teachers willing to learn more about process simulation
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11. www.ChemicalEngineeringGuy.com
BOOTCAMP
programs which enable students with little Process
Simulation proficiency to focus on the most important
aspects of Simulation and immediately apply their new
skills to solve real-world problems.
The goal of many bootcamps attendees is to
transition into a career in Process Simulation
development.
They do this by learning to simulate common
processes
This provides the foundation they need to build
production-ready applications and demonstrate they
have the skills to add real value to the company.
15. Chemical Processes
1. Hydrocarbon Systems
2. BTX Separation
3. Methanol from Syngas
4. Acetaldehyde Plant
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16. Case Study 1
Open New, Saving & Opening Files
Setup the Physical Property environment (component list + property method)
Phys.Prop.Env Binary Parameters, Equations & Models
Flowsheeting T/P/L labels; reconnecting source/distination
Add unit operations & streams to the flowsheet
Operations: Mixing, Splitting, Separation, Heating, Pressurizing
Units: Fsplit, Mix, Sep1, Sep2 Flash2, Heater, Valve
Understanding variable (input vs. outputs)
Running a Simulation & Viewing Results
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17. Gas mixture is to be separated
H2 Used in Syngas, must be purified
C1 Used as Nat. Gas
C2-C3 Sent to a NEW plant for Ethane/Propane separation
C6-C8 Main Liquid Product… Must be divided to Plant 1, 70%, and Plant 2, 30%
Composition
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Component Value
H2 0.3
C1 0.2
C2 0.1
C3 0.12
C6 0.12
C7 0.09
C8 0.07
18. The Mix is to be flashed at P = 3 bar, T = 25°C
The Vapor line is to be treated as follows:
Membrane separation of H2 (1.0) CH4 (98% recovery) and “C2-3” (95% recovery)
The “C2-3” line is to be treated in a Sep-X (Sep2) All C2-3 is separated.
The Liquid Line is to be treated as follows:
Cooled down 15°C
Pressure decrease to 1 bar
Split to Plant 1 70% and Plant 2 30%
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19. (a) Verify purities
(b) What is the mole rate for Plant 1
(c) Volumetric Flow rate of H2
(d) Mass flow rate of Plant 2
(e) Heat Duty of the Chiller/Cooler
(f) Heat duty of the Flash Drum
(g) Composition of Product Lines
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20. Try to get this:
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28. Run Results
Get:
(a) Verify purities
(b) What is the mole rate for Plant 1
(c) Volumetric Flow rate of H2
(d) Mass flow rate of Plant 2
(e) Heat Duty of the Chiller/Cooler
(f) Heat duty of the Flash Drum
(g) Composition of Product Lines
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29. Case Study 2
Physical Property Analysis Tools
Operations: Distillation, partial & total condensers
Units: Distil, DSTWU, Pump
Getting Help in Aspen Plus V10
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https://www.youtube.com/watch?v=WZQl_y2ci2w
30. BTX (Benzene Toluene and p-Xylene) are to be separated from a mixture via
distillation
Objectives:
Get at least 94% of benzene (purity)
Get at least 96% of toluene (purity)
Get at least 96% of p-xylene (purity)
Optimize:
RR vs. Stages
Design:
Start by Flashing, then DSTWU model
Final Design must be DISTIL
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31. Pressure of operations allowed:
Distil 1 = 1.1-1.3 bar
Distil 2 = 2.5-3.0 bar
Final product specification:
5.0 bar for benzene line
2.5 bar for benzene line
3.0 bar for p-xylene line
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32. (A) Use Phys. Props to verify BP of each species at P = 1.2 bar
(B) Use Flash to verify K values and volatilities (Light and Heavy keys)
(C) Compare DSTWU vs. Distil Models
(D) Use DSWTU Model for min. conditions (Column 1)
(E) Use Distil, for real conditions (Column 1)
(F) Use Flash to verify K values and volatilities (Light and Heavy keys)
(G) Use Distil
(H) Verify Purity
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33. (A)
Use Phys. Props to verify BP of species
at P = 1.0 bar
Results should be similar to:
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=WZQl_y2ci2w
TB°C 80.09 110.63 138.36
34. (A)
Use Phys. Props to verify BP of species at P = 1.0 bar
Results should be similar to:
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=WZQl_y2ci2w
TB°C 80.09 110.63 138.36
35. (B) Use Flash2 to verify Data
Components: B, T, p-X
Feed
350 kg/h, 500 kg/h, 150 kg/h
T = 25C, P = 1.2bar
Model NRTL-RK
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=WZQl_y2ci2w
36. Verify Volatilities
B = 80°C, T = 111°C, X = 138°C
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=WZQl_y2ci2w
37. Verify Volatilities
B = 80.1°C, T = 110.6°C, X = 138.4°C
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=WZQl_y2ci2w
38. Verify Volatilities
B = 80.1°C, T = 110.6°C, X = 138.4°C
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=WZQl_y2ci2w
𝛼 =
𝐾𝐿𝑖𝑔ℎ𝑡−𝐾𝑒𝑦
𝐾 𝐻𝑒𝑎𝑣𝑦−𝐾𝑒𝑦
T LK HK a
80.1 0.8547 0.3356 2.547
110.6 1.9059 0.8461 2.253
138.4 3.428 1.6911 2.027
Average
Arithmetic Geometric
2.28 2.27
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39. Calculate (manually)
Min. Number of Stages
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=WZQl_y2ci2w
In this equation αave = (α1αB) 1/2 where α1 is the relative volatility of the overhead
vapor and αB is the relative volatility of the bottoms liquid.
40. (C) Compare models
Getting help in Aspen Plus V10
Compare DSTWU vs. Distil
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=WZQl_y2ci2w
41. Compare DSTWU vs. Distil
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42. (D) Separate light material with
Model Theoretical “DISTIL”
Use Min. Stages to verify:
Min. Reflux Ratio
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43. Model the “real” DSTWU with DISTIL
N = 13
F = 6
RR = 1.313
D:F = 0.402
P = 1.07, P = 1.10
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=WZQl_y2ci2w
44. (A) Use Phys. Props to verify BP of each species at P = 1.2 bar
(B) Use Flash to verify K values and volatilities (Light and Heavy keys)
(C) Compare DSTWU vs. Distil Models
(D) Use DSWTU Model for min. conditions (Column 1)
(E) Use Distil, for real conditions (Column 1)
(F) Use Flash to verify K values and volatilities (Light and Heavy keys)
(G) Use Distil
(H) Verify Purity
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45. (F) Use Flash/DSTWU to verify K values and volatilities (Light and Heavy keys)
P = 2.5/3.0
Recovery
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DSTWU2
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47. (G) Use Flash/DSTWU to verify K values and volatilities (Light and Heavy keys)
Add the pre-pumping
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48. (G) Use Distil
P = 2.5/3.0
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49. Case Study 3
Physical Property Env. Binary Analysis (Methane : CO2)
Adding Reactions, and Equilibrium Data
Operations: Isothermal Reactor, Purging, Recycling
Compare Claculated Keq vs Built-in Expressions for Keq
Units: R-CSTR, DSTWU, DISTL, RadFrac, Compressor
Personalizing Results (mass/vol/mol, etc…)
Results: Exporting to Spreadsheet, Plotting them
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https://www.youtube.com/watch?v=Dgwsgpohxmk
50. Methanol is to be synthetized from Syngas
Reactor is ISOTHERMAL
Equilibrium Data (see in simulation)
Feed:
CO, CO2, H2 50,200, 600
T = 50°C, P = 1 bar
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𝐶𝑂 + 2𝐻2 ↔ 𝐶𝐻3 𝑂𝐻 𝛥𝐻 = −91𝑘 𝐽 𝑚 𝑜𝑙
𝐶𝑂2 + 3𝐻2 ↔ 𝐶𝐻3 𝑂𝐻 + 𝐻2 𝑂 𝛥𝐻 = −49.5𝑘 𝐽 𝑚 𝑜𝑙
𝐶𝑂2 + 𝐻2 ↔ 𝐶𝑂 + 𝐻2 𝑂 𝛥𝐻 = −41.2𝑘 𝐽 𝑚 𝑜𝑙
https://www.youtube.com/watch?v=Dgwsgpohxmk
51. Main goal is to:
Pre-heat feed (to T = 270°C, P = 40 bar)
Add Recycle + Feed to the Reactor Inlet
Cool down (50°C, P = 10 bar)
Separate Vapors from products
Re-heat recycle (T = 270°C, P = 40 bar)
PURGE gas
Drop pressure of liquid product
Separate methanol/water
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=Dgwsgpohxmk
52. (Ai) Verify Heat duty of Reactor (pre/after recycle)
(Aii) For the CSTR, verify Calculated Keq vs. Given Built-in Expressions
(B) Purge Ratio vs. Recycle
(C) Use Binary Analysis for Distillation
(D) DSWTU No. recommended Stages, given RR = 1.5
(E) DSWTU DISTL RadFrac
(F) Reboiler/Condenser Heating Duties of Column
(G) Final Product Purity Specification
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53. Try to aim this simulation:
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61. Reactor (Based on Aspen Plus Calculation for Gibbs Free energy):
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62. REACTOR:
Compare “Compute Keq from Gibbs Free energy”
Vs
Compute Keq from Built-in Expression
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64. Reactions
RXN1, RXN2, RXN3
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65. Reactor (Based on Aspen Plus Calculation for Gibbs Free energy):
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66. Reactor (Based on Aspen Plus Calculation for Gibbs Free energy):
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Auto Given
Expression
Auto Given
Expression
67. Continue with flowsheeting
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68. Use the INSERT option in Flowhseeting
Select FEED INSERT Compressor
Compressor Isentropic, Pdischarge = 40 bar
Degaser (SEP1)
CO2, CO, H2 as gas
H2O, Methanol as liquid
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69. Select Reactor OUTLET INSERT Valve
Valve Pdrop = 40bar
Chiller
T = 50C, P = 10 bar / 0 bar
Hydrogen Trap – Membrane (SEP1)
100% H2 recovery
CO2, CO go to purge/stack
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73. (B) Add Recycle & Purge
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74. (C) Use Binary Analysis for Distillation
Analysis base:
TXY diagram
Methanol – Water
P = 10 bar
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76. (D) DSWTU No. recommended Stages, given RR = 1.50
Valve:
Pdischarge = 1.5 bar
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77. (D) DSWTU No. recommended Stages, given RR = 1.50
Distillation
Start with DSTWU
RR = 1.5
P(cond/reb) = 1.40/1.70 bar
Light Key:
Comp = Methanol
Recovery = 0.95
Heavy Key = water
Comp = water
Recovery = 0.05
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78. (D) DSWTU No. recommended Stages, given RR = 0.80
Distillation
Start with DSTWU
RR = 1.5
P(cond/reb) = 1.40/1.70 bar
Light Key:
Comp = Methanol
Recovery = 0.95
Heavy Key = water
Comp = water
Recovery = 0.05
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86. Ethanol is to be converted to Acetaldehyde using a Plug flow reactor.
The Reactor is to be isothermal, 274°C, Single-tube L = 6m, D = 0.12 m
The reaction kinetics are known
Ethanol H2 + Acetaldehyde (desired)
Ethanol + Acetaldehyde Ethyl Acetate + H2 (undesired)
Separation of the gases (H2 ,mostly) is imperative
Final Product must be separated from the mix, at least 2/3
Purge can be added, recommended recycle ratio is 90% molar
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=e2MZfVColH8
87. (A) Run the PFR with no recycle
(B) Add separation scheme (Flashing, Degasser, Distillation Column)
(C) Add recycle + purge stream
(D) Change HEAT1 for Heat-X (Shell & Tube)
(E) Verify Purity f Products, Specs of Exchanger (Heaters, Reboilers, Condensers)
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88. Try to make a flowsheet similar to this:
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90. Simulation Environment
Feed + Pump + Mix
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92. REACTIONS (RXN1) Powerlaw
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94. REACTIONS (RXN1) Powerlaw
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98. Degaser (Sep1)
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101. Results of Distillation
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103. (C) Add Recycle + Purge Streams
90% Recycle Rate
10% Purge Rage
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=e2MZfVColH8
Before recycle
After recycle
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109. Accept design, run simulation, verify results
Verify:
Exchanger Area
LMDT (Log mean. Difference in Temp)
UA (Overall Coefficient)
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110. (E) Verify Purity of Products, Specs of Exchanger (Heaters, Reboilers, Condensers)
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112. Reactor (PFR) Conversion vs. Length
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113. Distillation Column Pressure Profile
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114. Process Analysis
5. Dimethyl Ether Production (Design Spec.)
6. Ammonia in Cryogenics (Optimization & Constraint)
7. Cumene Production (Sensitivity Analysis)
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115. Case Study 5
Flowsheeting Adding Figures & Timestamps, lines to the spreadsheet
Physical Property Binary Parameters
Design Specification Analysis
Operations: Multiple Reactions, Purging, Recycling, Flashing
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116. Dimethyl ether CH3-O-CH3, is to be produced from CO2 & H2. Initially there is
formation of CO + H2O, which is then converted to Methanol and simultaneously to
dimethyl ether.
This is done in two reactors, stirred tank, at isothermal conditions. No pressure Drop
Feed is initially 1:3 ratio CO2:H2 at 25°C, P = 1 bar
The First reactor is operated at 50 bar, 400°C, since CO and H2O must be favored
The second reactor is operated at 50bar, 227°C, since methanol dimethyl ether is
required. Note that the second reactor must have a very low content of water, for
which a Flash at very cold conditions must be used to separate liquid humidity.
No more than 0.20 kmol/h of Methanol must be lost in the purge/stack
The degasser must recover most of the liquid materials (water, methanol and dimethyl
ether)
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117. There is a special equipment which will recover most of non-polar substances in the
streams (DIM-Trap)
The dimethyl will be recovered this way
Al other material, methanol-water mix must be sent to a distillation column
NOTE Try using DSTWU at home
Reaction equilibrium (Ahrrenius) data is to be supplied later.
USE of Design Specification is REQURIED
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118. (A) Run CSTR1, verify results
(B) Use Design Spec For Water flow rate
(C) Verify Reactor 2 , ensure Dimethyl production
(D) Add Recycling & Purge Design Spec for Degaser
(E) Separate final products DIM-trap & Send to plant
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119. Try to get a simulation similar to this
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121. Physical Property Environment
First Method RK-SOAVE / NRTL
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123. (A) Run CSTR
Simulation Environment
FEED
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126. RXN1 Powerlaw
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128. (B) Use Design Spec For Water flow rate
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129. (B) Use Design Spec For Water flow rate We want to remove most of water…
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131. Add Design Spec.
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133. (C) Verify Reactor 2
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136. Run Reactor 2
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138. (D) Add Recycling & Purge Design Spec for Degaser
Verify No more than 0.10 kmol/h of Methanol is lost
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139. (D) Add Recycling & Purge Design Spec for Degaser
Verify No more than 0.10 kmol/h of Methanol is lost
RESULT T = 0-1°C
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141. Results…
Note that Methanol must be lost 0.23 kmol/h
OK since this is recycled..
Purge loses 0.023 kmol/h
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142. Verify Water content
FLASH1 from 103 to
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143. (E) Separate final products DIM-trap & Send to plant
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144. (E) Separate final products DIM-trap & Send to plant
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145. Add Table of Results to Flowsheet
Physical Property: Ideal vs. Activity vs. EOS
Tool Analysis Optimization & Constraint
Operations Equilibrium Reactions, Purge
Unit Operations R-Gibbs
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146. Ammonia gas is to be produced from a mixture of cryogenic gases, H2, N2,CH4, Ar
and some H2 (74.2, 24.7, 0.8, 0.3%)
T feed = 40°C, P = 100 bar, F = 5500 kmol/h
There is a reactor which converts Nitrogen gas and Hydrogen gas to Ammonia, as
given in the Haber Process as: N2 + 3H2 2NH3
Use Gibbs Free Energy Reactor 40°C to verify the % composition of the outlet of the
reactor
The mixture is then separated from Ammonia via flashing at low T… pre-specified T is
-10°C, but the process engineer must verify/optimize the Temperature to maximize
gains.
Min. Purity is to be 99.5% Molar in the product of NH3
Purge system has a 90% recovery of reactants, N2, H3 only. All other is purged
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147. (A) Run the reactor, verify the composition in the outlet given T-Reactor = 40°C
(Ai) Verify for IDEAL
(Aii) Verify for NRTL
(Aiii) Verify for Peng Robinson (recommended)
(B) Cool down, then flash mixture Verify Mole flow of Ammonia and purity
(C) Recycle gases, recall that 90% of N2, H2 is recovered, all other is sent to stack &
Verify Composition of Reactor
(D) Optimize temperature of Flash. Maximize NH3 flow rate with at least 99.5% purity
(E) Optimize temperature of Reactor. Maximize NH3 flow rate with at least 99.5 % purity
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148. Try getting a flowsheet similar to this one
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149. (A) Run the reactor, verify the composition in the outlet given T-Reactor = 40°C
(Ai) Verify for IDEAL
(Aii) Verify for NRTL
(Aiii) Verify for Peng Robinson (recommended)
Physical Property Environment Components
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150. Physical Property Environment Methods (Peng-Robinson)
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151. Ammonia is to be produced from Air
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152. Ammonia is to be produced from Air
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154. (B) Cool down, then flash mixture Verify Mole flow of Ammonia and purity
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156. (C) Recycle gases, recall that 90% of N2, H2 is recovered, all other is sent to stack &
Verify Composition of Reactor
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157. (C) Recycle gases, recall that 90% of N2, H2 is recovered, all other is sent to stack &
Verify Composition of Reactor
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158. (C) Recycle gases, recall that 90% of N2, H2 is recovered, all other is sent to stack &
Verify Composition of Reactor
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159. (C) Recycle gases, recall that 90% of N2, H2 is recovered, all other is sent to stack &
Verify Composition of Reactor
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160. (D) Optimize temperature of Flash. Maximize NH3 flow rate with at least 99.5% purity
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161. (D) Optimize temperature of Flash. Maximize NH3 flow rate with at least 99.5% purity
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162. (E) Optimize temperature of Reactor. Maximize NH3 flow rate with at least 99.5 % purity
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163. Finally, add table of results
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164. Finally, add table of results
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165. Export Table of Results to Spreadsheet/Excel
Manipulators Dupl / Mult
Tool Analysis Sensitivity Analysis
Operations Equilibrium Reactions, Purge
Unit Operations R-Gibbs
Sensitivity Analysis
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https://www.youtube.com/watch?v=yWbfzw04SvI
166. Cumene (C9H12) is to be produced from the reaction of benzene and propane
C6H6 propylene Cumene
The reactor is to be tested in: Multi-tubular PFR, CSTR with same residence time as
the PFR
Conditions:
T = 25°C, 25 bar pre-heated to 360°C
Initially, Benzene flow rate = 300 kmol/h,
Isopropylene source 75 kmol/h butane, 225 kmol/h isopropylene
The best reactor is to be selected as the one to operate
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167. The producto must be purified via Distillation(s)
A 99.5%+ Cumene product is required, while maximizing yields
A single Purge & Recycle is allowed
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168. (A) Run PFR, verify residence time & results
(B) Use approx. Residence Time for CSTR
(C) Continue with Reactor: (best choice)
(D) Add Recycle (Benzene is fully recovered)
(E) Use Sensitivity Analysis to verify best case scenario for Benzene Feed
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169. Try to get a simulation similar to this:
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171. Simulation Environment
FEED = 300 kmol/h
0.75 Propylene
0.25 n-Butane
T = 25°C, P = 25bar
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175. (A) Run PFR, verify residence time & results
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176. (B) Use approx. Residence Time for CSTR
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178. (C) Continue with PFR (best choice)
Add separation scheme (Col2)
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180. (E) Use Sensitivity Analysis to verify best case scenario for Benzene Feed
(initially 300 kmol/h)
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181. (E) Use Sensitivity Analysis to verify best case
scenario for Benzene Feed
(initially 300 kmol/h)
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OK 261 0.995656 92.87585
OK 262 0.995772 94.59557
OK 263 0.990626 94.95583
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182. (E) Use Sensitivity Analysis to verify best case
scenario for Benzene Feed
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183. (E) Use Sensitivity Analysis to verify best case
scenario for Benzene Feed
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