Aspen Tutorial

Terry A. Ring
ChEN 4253
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.

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

Other Subjects : Solid
Mechanics, Manufacturing
Science
Economics
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)

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


ThermoPackage Choice
Questions for ThermoPackage Choice
Are the components?
Polar
Non-Polar
System Pressures?
P< 10 atm - ideal gas
Interaction Parameters Available?
Eric Carlsons Recommendations
E?
R?
P?
Polar
Real
Electrolyte
Pseudo & Real
Vacuum
Non-electrolyte
Braun K-10 or ideal
Chao-Seader,
Grayson-Streed or
Braun K-10
Peng-Robinson,
Redlich-Kwong-Soave,
Lee-Kesler-Plocker
Electrolyte NRTL
Or Pizer
See Figure 2
Figure 1
Polarity
R?
Real or
pseudocomponents
P?
Pressure
E?
Electrolytes
All
Non-polar
P?
ij?
ij?
LL?
(See also
Figure 3)
P < 10 bar
P > 10 bar
PSRK
PR or SRK with MHV2
Schwartentruber-Renon
PR or SRK with WS
PR or SRK with MHV2
UNIFAC and its
extensions
UNIFAC LLE
Polar
Non-electrolytes
No
Yes
Yes
LL?
No
No
Yes
Yes
No
WILSON, NRTL,
UNIQUAC and
their variances
NRTL, UNIQUAC
and their variances
LL?
Liquid/Liquid
P?
Pressure
ij?
Interaction Parameters
Available
Figure 2
VAP?
DP?
Yes
No
Wilson, NRTL,
UNIQUAC, or UNIFAC*
with ideal Gas or RK EOS
Wilson
NRTL
UNIQUAC
UNIFAC
Hexamers
Dimers
Wilson, NRTL, UNIQUAC,
UNIFAC with Hayden OConnell
or Northnagel EOS
Wilson, NRTL, UNIQUAC,
or UNIFAC with special EOS
for Hexamers
VAP? Vapor Phase Association
Degrees of Polymerizatiom DP?
UNIFAC* and its Extensions
Figure 3




Bob Seaders Recommendations
Bob Seaders Recommendations
LG?
E?
PC?
HC?
Yes
Yes
No
Yes
See Figure 5
Special: e.g., Sour Water (NH
3
, CO
2
, H
2
S, H
2
O)
Aqueous amine solution with CO
2
and H
2
S
PC?
No
Modified NRTL
No
No
PSRK
Yes
No
See Figure 5
See Figure 6
HC? Hydrocarbons
LG? Light gases
PC? Organic Polar
Compound
E? Electrolyte
Yes
Figure 4
Figure 5
T?
P?
BP?
Narrow or
wide
PR
LKP
Cryogenic
Non- Cryogenic
Critical
Non-Critical
SRK, PR
PR, BWRS
Very wide
HC and/
or LG
P? Pressure region
T? Temperature region
BP? Boiling point range
of compound
Figure 6
PPS?
BIP?
Available
UNIFAC
Yes
No
Wilson
NRTL, UNIQUAC
Not Available
PC with HC
PPS?
Possible Phase
Splitting
BIP?
Binary Interaction
Parameters




Hyprotech Recommendations
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
Gas Processing with Methanol or
NMP
Lee-Kesler

Light Hydrocarbon Systems with
H
2
S and CO
2
, No 2nd Liquid
Phase
Tillner-Roth
and Friend
NH3 + H2O

Ammonia Absorption
Refrigeration, Ammonia and/or
Water Only
ProMax Guidance
(5 more pages like this)
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?
Design Spec
What Then How (WtH)
What do I want to specify?
What do I want to vary to control it?

Which System has the most
Energy?
Moving from T
o
, P
o
to T
f,
P
f

STATE PROPERTY
Enthalpy change is the same if the end
points are the same.

Why is Boil then Compress not
suggested? Heuristic 43
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 H
2
) (
2
2 2
3 2
s C O H H CO
OH CH H CO


Sensitivity Analysis
Produces Table of Results using a Do
Loop to vary one (or more variables)
What Then How
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
OH CH H CO
3 2
2
Problem -4
Determine the
resulting
equilibrium at 10
atm and 200 C
using an
equilibrium reactor
in Aspen with both
of the reactions
listed.
) (
2
2 2
3 2
s C O H H CO
OH CH H CO


Problem 5
Vapor-Liquid Equilibrium
40mole% Ethanol water

Problem 6
Liquid-Liquid Equilibria
Polar - polar
Problem 7
Liquid-Liquid Equilibria
Polar - non-polar
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
Example-9
Distillation/Flash
Methanol Water
100 lbmole/hr
Flash at 90C, 1 atm
Distillation
R=2
BoilUp Ratio=3