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

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

Non-electrolyte
Figure 1
See Figure 2
Polar

E?
Electrolyte NRTL
Or Pizer

Electrolyte
Real
All
Non-polar

Peng-Robinson,
Redlich-Kwong-Soave
Lee-Kesler-Plocker

R?

Polarity
R?

Real or
pseudocomponents

P?

Pressure

E?

Electrolytes

Pseudo & Real

P?
Vacuum

Chao-Seader,
Grayson-Streed or
Braun K-10

Braun K-10 or ideal

Yes
Yes

Figure 2
P < 10 bar
(See also
Figure 3)

P?

NRTL, UNIQUAC
and their variances

LL?
No

ij?

Yes
No

No
Yes
P > 10 bar

P?

Pressure

ij?

Interaction Parameters
Available

UNIFAC LLE

LL?

Polar
Non-electrolytes

LL? Liquid/Liquid

WILSON, NRTL,
UNIQUAC and
their variances

ij?
No

UNIFAC and its

extensions

Schwartentruber-Renon
PR or SRK with WS
PR or SRK with MHV2
PSRK
PR or SRK with MHV2

Hexamers

Figure 3
Yes

DP?
Dimers

Wilson
NRTL
UNIQUAC
UNIFAC
VAP?
DP?

Wilson, NRTL, UNIQUAC,

or UNIFAC with special EOS
for Hexamers

VAP?
No

Wilson, NRTL, UNIQUAC,

UNIFAC with Hayden OConnell
or Northnagel EOS
Wilson, NRTL,
UNIQUAC, or UNIFAC*
with ideal Gas or RK EOS

Vapor Phase Association

Degrees of Polymerizatiom

UNIFAC* and its Extensions

Bob Seaders Recommendations

Bob Seaders Recommendations

Yes

Figure 4
Yes

Yes

Yes
No

HC?

No

Hydrocarbons

LG?

Light gases

See Figure 5

E?

Electrolyte

See Figure 6

PC?

Organic Polar
Compound

PC?
No

Yes

HC?

PC?
No

LG?

PSRK

See Figure 5

Modified NRTL

E?
No

Special: e.g., Sour Water (NH3, CO2, H2S, H2O)

Aqueous amine solution with CO2 and H2S

Figure 5
Critical
Cryogenic
Narrow or
wide
HC and/
or LG

P?
Non-Critical

T?
Non- Cryogenic

BP?

Very wide

PR

LKP

PR, BWRS

SRK, PR

T?

Boiling point range

of compound
Temperature region

P?

Pressure region

BP?

Figure 6
Yes

Available

PC with HC

NRTL, UNIQUAC

PPS?

BIP?

Not Available

No

Wilson

UNIFAC

BIP?

Binary Interaction
Parameters

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 Redlich
Kwong)

Gas Processing with No Methanol,

Refinery Distillation

Peng-Robinson

Gas Processing with No Methanol

SRK Polar

Gas Processing with Methanol or

NMP

Gas Processing with Methanol or

NMP

Peng-Robinson
Polar
Lee-Kesler

Tillner-Roth
and Friend
NH3 + H2O

Light Hydrocarbon Systems with

H2S and CO2, No 2nd Liquid Phase

Ammonia Absorption
Refrigeration, Ammonia and/or
Water Only

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

CO 2 H 2 CH 3OH
CO H 2 H 2O C ( s )

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