Aspen Tutorial

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Aspen Tutorial

• Terry A. Ring
• ChEN 4253

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Process Simulation Software

• Steady State Process Simulation
• AspenPlus
• ProMax
• ChemCad
• Hysis
• HySim
• ProSim
• CADSim
• OLI Process Simulator
• KemSimp
• Chemical Workbench Code
• Ascend IV

• Dynamic Process Simulation
• Aspen Dynamics
• CADSim
• Simulation Solutions, Inc.

3
Types of Simulators

• ProMax
• Equation Based
• Solves block by block

• Aspen
• Puts all equations into one Matrix equation
• Solves all Mass and Energy Balances at once

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Basic Elements of a Simulation Program
Thermodynamics
Numerical Methods
Thermodynamics
Other Subjects Solid Mechanics, Manufacturing
Science Economics
- Reaction Engineering, Mass Transfer, Heat
Transfer, Fluid Mechanics
Towler and Sinnott , Chemical Engineering Design
Principles , Practice, Economics of Plant and
Process Design , Elsevier (2008)
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Aspen

• Aspects of Aspen
• Next Button
• Many units that perform a given function
• Degrees of Freedom are chosen for you
• Setup for kinetic reactions are tricky
• Accounts for particle sizes
• Simple block models
• Automatic Plant Costing (Aspen Economics)

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Steps to Run

• Aspen (Left Hand Bar)
• Wiring up Process
• Title
• Components
• Thermopackage
• Process Flow Sheet
• Feed Stream
• Unit Specifications
• Fixed degrees of freedom
• Run
• Results
• Report

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ThermoPackage Choice

• Questions for ThermoPackage Choice
• Are the components?
• Polar
• Non-Polar
• System Pressures?
• Plt 10 atm - ideal gas
• Interaction Parameters Available?

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Eric Carlsons Recommendations
Figure 1
See Figure 2
E?
Electrolyte NRTL Or Pizer
Peng-Robinson, Redlich-Kwong-Soave, Lee-Kesler-Plo
cker
R?
Chao-Seader, Grayson-Streed or Braun K-10
Polarity
P?
Real or pseudocomponents
R?
P?
Pressure
Braun K-10 or ideal
E?
Electrolytes
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NRTL, UNIQUAC and their variances
Figure 2
LL?
WILSON, NRTL, UNIQUAC and their variances
ij?
UNIFAC LLE
P?
LL?
UNIFAC and its extensions
Schwartentruber-Renon PR or SRK with WS PR or SRK
with MHV2
LL?
Liquid/Liquid
ij?
P?
Pressure
PSRK PR or SRK with MHV2
ij?
Interaction Parameters Available
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Wilson, NRTL, UNIQUAC, or UNIFAC with special
EOS for Hexamers
Figure 3
DP?
Wilson, NRTL, UNIQUAC, UNIFAC with Hayden
OConnell or Northnagel EOS
VAP?
Wilson, NRTL, UNIQUAC, or UNIFAC with ideal Gas
or RK EOS
VAP?
Vapor Phase Association
UNIFAC and its Extensions
DP?
Degrees of Polymerizatiom
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Bob Seaders Recommendations
     
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Bob Seaders Recommendations
PSRK
Figure 4
HC?
Hydrocarbons
PC?
LG?
Light gases
E?
Electrolyte
See Figure 5
LG?
PC?
Organic Polar Compound
See Figure 6
PC?
HC?
See Figure 5
Modified NRTL
E?
Special e.g., Sour Water (NH3, CO2, H2S, H2O)
Aqueous amine solution with CO2 and H2S
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Figure 5
PR
P?
PR, BWRS
T?
BP?
SRK, PR
BP?
Boiling point range of compound
LKP
T?
Temperature region
P?
Pressure region
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Figure 6
NRTL, UNIQUAC
PPS?
BIP?
Wilson
BIP?
Binary Interaction Parameters
UNIFAC
PPS?
Possible Phase Splitting
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Hyprotech Recommendations
     
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ProMax Guidance(5 more pages like this)
Model Pure Binary Mixture VLE VLLE Notes
EOS (Equation of State) EOS (Equation of State) EOS (Equation of State) EOS (Equation of State) EOS (Equation of State) EOS (Equation of State) EOS (Equation of State)
SRK (Soave RedlichKwong) ? ? ? ? ? Gas Processing with No Methanol, Refinery Distillation
Peng-Robinson ? ? ? ? ? Gas Processing with No Methanol
SRK Polar ? ? ? ? ? Gas Processing with Methanol or NMP
Peng-Robinson Polar ? ? ? ? ? Gas Processing with Methanol or NMP
Lee-Kesler ? ? ? ? Light Hydrocarbon Systems with H2S and CO2, No 2nd Liquid Phase
Tillner-Roth and Friend NH3 H2O ? ? ? Ammonia Absorption Refrigeration, Ammonia and/or Water Only
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Problem-1

• Problem 5.12
• Alternatives in preparing a feed. A process
  under design requires that 100 lbmol/hr of
  toluene at 70F and 20 psia be brought to 450 F
  and 75 psia.
• Flow sheets using Peng-Robinson
• Boil-Superheat-Compress
• Pump to 75 psi-Boil-Superheat
• Which process uses the most energy?

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Design Spec

• What Then How (WtH)
• What do I want to specify?
• What do I want to vary to control it?

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Which System has the most Energy?

• Moving from To, Po to Tf, Pf
• STATE PROPERTY
• Enthalpy change is the same if the end points are
  the same.
• Why is Boil then Compress not suggested?
  Heuristic 43

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Problem -2

• Use Gibbs Minimization reactor in Aspen to
  determine the products of reaction at 10 atm and
  200 C.
• Feed equimolar in CO and H2

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Sensitivity Analysis

• Produces Table of Results using a Do Loop to vary
  one (or more variables)
• What Then How

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Problem 3

• Use Equilibrium Reactor to determine reactor
  conversion for methanol reaction at 10 atm and
  200C
• Use sensitivity analysis to determine reactor
  conversion at a suite of temperatures

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Problem -4

• Determine the resulting equilibrium at 10 atm and
  200 C using an equilibrium reactor in Aspen with
  both of the reactions listed.

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Problem 5

• Vapor-Liquid Equilibrium
• 40mole Ethanol water

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Problem 6

• Liquid-Liquid Equilibria
• Polar - polar

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Problem 7

• Liquid-Liquid Equilibria
• Polar - non-polar

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Problem 8

• Multiple component phase equilibria
• Methane 0.1 mole fraction
• Ethane 0.2
• Propane- 0.3
• Butane- 0.3
• Methyl ethyl keytone -0.1
• 10 atm, 10C
• Use Ideal and Peng Robinson Thermo Pkg.
• Compare results

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Example-9

• Distillation/Flash
• Methanol Water
• 100 lbmole/hr
• Flash at 90C, 1 atm
• Distillation
• R2
• BoilUp Ratio3