Aspen Plus - Bootcamp - 12 Case Studies (1 of 2) (Slideshare)

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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

 Chemical Processes
1. Hydrocarbon Systems
2. BTX Separation
3. Methanol from Syngas
4. Acetaldehyde Plant

 Process Analysis
5. Dimethyl Ether Production (Design Spec.)
6. Ammonia in Cryogenics (Optimization & Constraint)
7. Cumene Production (Sensitivity Analysis)

 Rigorous Unit Operations
8. Heat-X Rigorous Model (Shell & Tube)
9. RadFrac for Absorption Operations
10. RadFrac in Distillation Operations

 Plant Economy & Dynamic Control
11. Ammonia Economics
12. Plant Dynamics & Control

 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

 Basic understanding of Plant Design & Operation
 Strong Chemical Engineering Fundamentals
 Aspen Plus V10 (at least 7.0)

 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

 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.

 BOOTCAMP
 INTENSIVE
 80-20 principle
 100% Practical
 Workshop based
 Hands-on
 Case Study based
 Non theoretical!

 Check out:
 Slideshows
 Simulations
 Spreadsheets
 & more… here:
 https://www.chemicalengineeringguy.com/courses/aspen-plus-bootcamp-with-12-case-studies/ap-bootcamp-99512/
 Get Tips & Help here:
 https://www.facebook.com/groups/aspenplushysysforum/
 Also check the “resources” on the course.

 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

 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
Component Value
H2 0.3
C1 0.2
C2 0.1
C3 0.12
C6 0.12
C7 0.09
C8 0.07

 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%

 (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

 Try to get this:

 Feed:
Component (mol. Frac.)
H2 0.3
C1 0.2
C2 0.1
C3 0.12
C6 0.12
C7 0.09
C8 0.07

 Flash (FLASH2):
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 Cooler (HEATER):

 Valve (VALVE):
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 Splitter (FSPLIT):

 Membrane (SEP):

 SEPX (SEP):
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 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

 Case Study 2
 Physical Property  Analysis Tools
 Operations: Distillation, partial & total condensers
 Units: Distil, DSTWU, Pump
 Getting Help in Aspen Plus V10
https://www.youtube.com/watch?v=WZQl_y2ci2w

 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

 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

 (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

 (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

 (A)
 Use Phys. Props to verify BP of species at P = 1.0 bar
 Results should be similar to:
TB°C 80.09 110.63 138.36

 (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

 Verify Volatilities
 B = 80°C, T = 111°C, X = 138°C

 B = 80.1°C, T = 110.6°C, X = 138.4°C

 B = 80.1°C, T = 110.6°C, X = 138.4°C
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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 Calculate (manually)
 Min. Number of Stages
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.

 (C) Compare models
 Getting help in Aspen Plus V10
 Compare DSTWU vs. Distil

 Compare DSTWU vs. Distil
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 (D) Separate light material with
 Model Theoretical “DISTIL”
 Use Min. Stages to verify:
 Min. Reflux Ratio
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 Model the “real” DSTWU with DISTIL
 N = 13
 F = 6
 RR = 1.313
 D:F = 0.402
 P = 1.07, P = 1.10

 (F) Use Flash/DSTWU to verify K values and volatilities (Light and Heavy keys)
 P = 2.5/3.0
 Recovery 
DSTWU2
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 Preliminary Results of DSTWU2
DSTWU2

 (G) Use Flash/DSTWU to verify K values and volatilities (Light and Heavy keys)
 Add the pre-pumping

 (G) Use Distil
 P = 2.5/3.0
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 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
https://www.youtube.com/watch?v=Dgwsgpohxmk

 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
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

 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

 (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

 Try to aim this simulation:

 Physical Property Environment
 Add Components
 Physical Property  PSRK

 Simulation Environment
 FEED:

 HEATER
 R-CSTR
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 Reactions
 RXN – LHHW / Equilibium
 NOTE: Verify Enthalpy of Reactions

 Reactions
 RXN –Equilibium
 NOTE: Verify Enthalpy of Reactions
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
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 REACTOR:
 Compare “Compute Keq from Gibbs Free energy”
 Vs
 Compute Keq from Built-in Expression

 Reactor:

 Reactor (Based on Aspen Plus Calculation for Gibbs Free energy):
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 Reactions
 RXN1, RXN2, RXN3

 Reactions
 RXN1, RXN2, RXN3
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Auto Given
Expression
Auto Given
Expression

 Continue with flowsheeting
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 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

 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

 (B) Add Recycle & Purge

 (B) Add Recycle & Purge
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 (C) Use Binary Analysis for Distillation
 Analysis base:
 TXY diagram
 Methanol – Water
 P = 10 bar

 Valve:
 Pdischarge = 1.5 bar

 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

 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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 Distillation
 Continue with DISTL
 N stages = 7
 Feed = 5
 RR = 1.5
 D:F = 0.50
 P(cond/reb) = 1.40/1.70 bar

 Distillation
 Continue with DISTL
 N stages = 7
 Feed = 5
 RR = 1.5
 D:F = 0.50
 P(cond/reb) = 1.40/1.70 bar
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 Distillation
 Continue with RadFrac
 N stages = 7
 Feed = 5
 RR = 1.5
 D:F = 0.50
 P(cond/reb) = 1.40/1.70 bar

 (G) Final Product Purity Specification

 Case Study 4
 Flowsheeting: “Views” Text/Figures
 Adding Reactions
 Operations: Isothermal Reactions, Purging, Recycling, Condensation / Boiling
 Units: R-PFR, Heat-X (Shortcut / Tube & Shell)
 Plotting Results of PFR

 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

 (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)

 Try to make a flowsheet similar to this:

 Feed + Pump + Mix
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 Reactor (R-PLUG)

 REACTIONS (RXN1)  Powerlaw
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 REACTIONS (RXN1)  Powerlaw

 PFR Run:

 (B) Add separation scheme (Flashing, Degasser, Distillation Column)
 Chiller
 dP = 0.25 atm
 Flash Drum (FLASH2)
 Q = 0
 P = 0

 Degaser (Sep1)
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 Distillation Column (RADFRAC)

 Distillation Column (RADFRAC)
Stage Pressure
atm
1 6.8
2 6.92
3 6.95
4 6.93
5 6.97
6 7
7 7.08
8 7.11
9 7.15
10 7.18
11 7.22
12 7.25
13 7.23
14 7.27
15 7.3
16 7.38
17 7.42
18 7.45
19 7.47
20 7.5

 Results of Distillation
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 (C) Add Recycle + Purge Streams
 90% Recycle Rate
 10% Purge Rage

 (C) Add Recycle + Purge Streams
 90% Recycle Rate
 10% Purge Rage
Before recycle
After recycle
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 (D) Het Exchanger Property Sets
 Size  HEAT1

 Setup Heat-X
 SHORTCUT
 Countercurrent
 Exchanger Duty
 2.54069e06 (cal/s)

 Convert to:
 Shell & Tube Exchanger

 Accept design, run simulation, verify results
 Verify:
 Exchanger Area
 LMDT (Log mean. Difference in Temp)
 UA (Overall Coefficient)

 (E) Verify Purity of Products, Specs of Exchanger (Heaters, Reboilers, Condensers)
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 Add “views” for simplicity
 PFR
 Heat-X
 Separation Scheme
 Purger
 Plant

 Reactor (PFR) Conversion vs. Length

 Distillation Column Pressure Profile
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 Case Study 5
 Flowsheeting  Adding Figures & Timestamps, lines to the spreadsheet
 Physical Property  Binary Parameters
 Design Specification Analysis
 Operations: Multiple Reactions, Purging, Recycling, Flashing

 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)

 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

 (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

 Try to get a simulation similar to this
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=3vm91REoFxI

 First  Method RK-SOAVE / NRTL

 First  Method RK-SOAVE / NRTL
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 (A) Run CSTR
 FEED
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 CSTR (Isothermal)
 T =400, P = 50bar, V = 10 m3

 RXN1  Powerlaw
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 RUN 

 (B) Use Design Spec For Water flow rate

 (B) Use Design Spec For Water flow rate  We want to remove most of water…
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 Add Design Spec.

 Add Design Spec.
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 (C) Verify Reactor 2
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 (C) Verify Reactor 2

 Run Reactor 2
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 Verify  No more than 0.10 kmol/h of Methanol is lost

 Verify  No more than 0.10 kmol/h of Methanol is lost
 RESULT  T = 0-1°C
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 Results…
 Note that Methanol must be lost 0.23 kmol/h 
 OK since this is recycled..
 Purge loses 0.023 kmol/h

 Verify Water content
 FLASH1  from 103 to
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 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
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=vevVRwaZXEU

 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

 (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

 Try getting a flowsheet similar to this one

 (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

 Physical Property Environment  Methods (Peng-Robinson)
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 Ammonia is to be produced from Air

 (Ai) IDEAL
 (Aii) NRTL  (Aiii) PR

 (B) Cool down, then flash mixture  Verify Mole flow of Ammonia and purity
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 T-Cool  Approx to -10°C
 T-Flash  -30°C

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 (E) Optimize temperature of Reactor. Maximize NH3 flow rate with at least 99.5 % purity

 Finally, add table of results

 Export Table of Results to Spreadsheet/Excel
 Manipulators  Dupl / Mult
 Tool Analysis  Sensitivity Analysis
 Operations  Equilibrium Reactions, Purge
 Unit Operations  R-Gibbs
 Sensitivity Analysis
https://www.youtube.com/watch?v=yWbfzw04SvI

 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

 The producto must be purified via Distillation(s)
 A 99.5%+ Cumene product is required, while maximizing yields
 A single Purge & Recycle is allowed

 (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

 Try to get a simulation similar to this:
www.ChemicalEngineeringGuy.com https://www.youtube.com/watch?v=yWbfzw04SvI

 FEED = 300 kmol/h
 0.75 Propylene
 0.25 n-Butane
 T = 25°C, P = 25bar
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 (A) Run PFR, verify residence time & results
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 (B) Use approx. Residence Time for CSTR

 (C) Continue with PFR (best choice)
 Add separation scheme (Col1)

 (C) Continue with PFR (best choice)
 Add separation scheme (Col2)
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 (D) Add Recycle (Benzene is fully recovered)

 (E) Use Sensitivity Analysis to verify best case scenario for Benzene Feed
 (initially 300 kmol/h)

 (E) Use Sensitivity Analysis to verify best case
scenario for Benzene Feed
 (initially 300 kmol/h)
OK 261 0.995656 92.87585
OK 262 0.995772 94.59557
OK 263 0.990626 94.95583
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Aspen Plus - Bootcamp - 12 Case Studies (1 of 2) (Slideshare)

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Aspen Plus - Bootcamp - 12 Case Studies (1 of 2) (Slideshare)