1. Aspen Tutorial
Terry A. Ring
ChEN 4253

2. 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 Aspen
Solves block by block
Aspen
Puts all equations into one Matrix equation
Solves all Mass and Energy Balances at once

4. * * 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)

5. 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)

6. 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

7. ThermoPackage Choice Questions for ThermoPackage Choice
Are the components?
Polar
Non-Polar
System Pressures?
P< 10 atm - ideal gas
Interaction Parameters Available?

8. Eric Carlson’s Recommendations
Figure 1
Non-electrolyte
See Figure 2 E?
Polar
Electrolyte
Electrolyte NRTL
Or Pizer
Real
Peng-Robinson,
Redlich-Kwong-Soave,
Lee-Kesler-Plocker
All
Non-polar R?
Chao-Seader,
Grayson-Streed or
Braun K-10
Polarity
Pseudo & Real
Real or
pseudocomponents P? R? P?
Pressure
Vacuum
Braun K-10 or ideal E?
Electrolytes

9. Figure 2 LL? ij? P? LL? ij? Yes NRTL, UNIQUAC and their variances Yes
WILSON, NRTL,
UNIQUAC and
their variances
ij?
(See also
Figure 3)
P < 10 bar No
Yes No
UNIFAC LLE P?
LL?
Polar
Non-electrolytes
P > 10 bar No
UNIFAC and its
extensions
Schwartentruber-Renon
PR or SRK with WS
PR or SRK with MHV2
LL?
Yes
Liquid/Liquid
ij? P?
Pressure No
PSRK
PR or SRK with MHV2
ij?
Interaction Parameters
Available

10. Figure 3 DP? Wilson, NRTL, UNIQUAC, or UNIFAC with special EOS
for Hexamers
Figure 3
Hexamers
DP?
Yes
Wilson, NRTL, UNIQUAC,
UNIFAC with Hayden O’Connell
or Northnagel EOS
Dimers
VAP?
Wilson
NRTL
UNIQUAC
UNIFAC
Wilson, NRTL,
UNIQUAC, or UNIFAC*
with ideal Gas or RK EOS No
VAP?
Vapor Phase Association
UNIFAC* and its Extensions
DP?
Degrees of Polymerizatiom

11. Bob Seader’s Recommendations

12. Bob Seader’s Recommendations
Yes
Figure 4
PSRK
HC?
Hydrocarbons
PC?
Yes
LG?
Light gases No E?
Electrolyte
See Figure 5
Yes
LG?
Yes
PC?
Organic Polar
Compound
See Figure 6 No
PC?
HC? No
See Figure 5 No
Yes
Modified NRTL E? No
Special: e.g., Sour Water (NH3, CO2, H2S, H2O)
Aqueous amine solution with CO2 and H2S

13. Figure 5 P? T? BP? Critical PR Cryogenic Narrow or wide Non-Critical
PR, BWRS T?
HC and/ or LG
Non- Cryogenic
BP?
SRK, PR
Very wide
BP?
Boiling point range
of compound
LKP T?
Temperature region P?
Pressure region

14. Figure 6 PPS? BIP? Yes NRTL, UNIQUAC Available No PC with HC Wilson
Not Available
BIP?
Binary Interaction
Parameters
UNIFAC
PPS?
Possible Phase
Splitting

15. Hyprotech Recommendations

16. ProMax Guidance (5 more pages like this)
Model
Pure
Binary
Mixture
VLE
VLLE
Notes
EOS (Equation of State)
SRK (Soave Redlich Kwong) ●
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
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

17. 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?

18. Design Spec What Then How (WtH) What do I want to specify?
What do I want to vary to control it?

19. 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

20. 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

21. Sensitivity Analysis
Produces Table of Results using a Do Loop to vary one (or more variables)
What Then How

22. 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

23. Problem -4
Determine the resulting equilibrium at 10 atm and 200 C using an equilibrium reactor in Aspen with both of the reactions listed.

24. Problem 5
Vapor-Liquid Equilibrium
40mole% Ethanol – water

25. Problem 6
Liquid-Liquid Equilibria
Polar - polar

26. Problem 7
Liquid-Liquid Equilibria
Polar - non-polar

27. 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, 10°C
Use Ideal and Peng Robinson Thermo Pkg.
Compare results

28. Example-9 Distillation/Flash Methanol – Water 100 lbmole/hr
Flash at 90C, 1 atm
Distillation
R=2
BoilUp Ratio=3