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 Carlson’s 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 O’Connell
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 Seader’s Recommendations
 Bob Seader’s 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, 10°C
– 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