Aspen Tutorial

Terry A. Ring
ChEN 4253
 Process Simulation Software
Steady State Process Dynamic Process
Simulation Simulation
AspenPlus Aspen Dynamics
ProMax CADSim
ChemCad Simulation Solutions, Inc.
Hysis
HySim
ProSim
CADSim
OLI Process Simulator
KemSimp
Chemical Workbench Code
Ascend IV
 Types of Simulators
ProMax Aspen
Equation Based Puts all equations into
Solves block by block one Matrix equation
Solves all Mass and
Energy Balances at
once
 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)
 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
Figure 1 Non-electrolyte
See Figure 2

Polar
E?

Electrolyte Electrolyte NRTL

Or Pizer

Real Peng-Robinson,
All Redlich-Kwong-Soave
Non-polar Lee-Kesler-Plocker
R?
Chao-Seader,
Polarity Grayson-Streed or
Real or Pseudo & Real Braun K-10
R?
pseudocomponents P?
P? Pressure
Vacuum
E? Braun K-10 or ideal
Electrolytes
 Yes NRTL, UNIQUAC
and their variances
Figure 2 Yes
LL?
WILSON, NRTL,
P < 10 bar No UNIQUAC and
ij? their variances
(See also
Figure 3) Yes
UNIFAC LLE

P? No
LL?
Polar
Non-electrolytes
No UNIFAC and its
extensions
Schwartentruber-Renon
LL? Liquid/Liquid Yes
PR or SRK with WS
PR or SRK with MHV2
P? Pressure P > 10 bar
ij?
ij? No PSRK
Interaction Parameters
Available PR or SRK with MHV2
 Wilson, NRTL, UNIQUAC,
Hexamers
Figure 3 or UNIFAC with special EOS
for Hexamers
Yes
DP?
Wilson, NRTL, UNIQUAC,
Dimers
UNIFAC with Hayden OConnell
or Northnagel EOS
VAP?
Wilson
NRTL Wilson, NRTL,
No
UNIQUAC UNIQUAC, or UNIFAC*
UNIFAC with ideal Gas or RK EOS

VAP? Vapor Phase Association

UNIFAC* and its Extensions
DP? Degrees of Polymerizatiom
Bob Seaders Recommendations
 Bob Seaders Recommendations
Yes PSRK
Hydrocarbons
Figure 4 Yes
HC?

PC? LG? Light gases

No E? Electrolyte
See Figure 5
Yes
LG? Yes See Figure 6 PC? Organic Polar
Compound

No
PC?
HC?
No
See Figure 5
Yes
Modified NRTL
No
E?
No Special: e.g., Sour Water (NH3, CO2, H2S, H2O)
Aqueous amine solution with CO2 and H2S
 Figure 5
Critical
PR
Cryogenic
P?
Narrow or Non-Critical
PR, BWRS
wide
T?
HC and/ Non- Cryogenic
or LG SRK, PR
BP?

Very wide BP? Boiling point range

LKP
of compound
T? Temperature region

P? Pressure region
 Figure 6

Yes
NRTL, UNIQUAC

Available
PPS?

No
PC with HC Wilson
BIP?

BIP? Binary Interaction

Not Available Parameters
UNIFAC
PPS? Possible Phase
Splitting
Hyprotech Recommendations
 ProMax Guidance
(5 more pages like this)
Model Pure Binary Mixture VLE VLLE Notes

EOS (Equation of State)

SRK (Soave Gas Processing with No

Redlich
Kwong)
Methanol, Refinery Distillation

Peng-Robinson Gas Processing with No

Methanol

SRK Polar Gas Processing with Methanol or

NMP

Peng-Robinson Gas Processing with Methanol or

Polar NMP

Lee-Kesler Light Hydrocarbon Systems with

H2S and CO2, No 2nd Liquid
Phase

Tillner-Roth Ammonia Absorption

Refrigeration, Ammonia and/or
and Friend Water Only
NH3 + H2O

 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 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
 Problem -2
Use Gibbs
CO 2 H 2 CH 3OH
Minimization reactor
in Aspen to determine CO H 2 H 2O C ( s)
the products of
reaction at 10 atm and
200 C.
Feed equimolar in CO
and H2
 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

CO 2 H 2 CH 3OH

Use sensitivity analysis to determine

reactor conversion at a suite of
temperatures
 Problem -4
Determine the
CO 2 H 2 CH 3OH
resulting
equilibrium at 10 CO H 2 H 2O C ( s)
atm and 200 C
using an
equilibrium reactor
in Aspen with both
of the reactions
listed.
 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