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 Real

Electrolyte NRTL Or Pizer

All Non-polar
Polarity
R?

R?
Pseudo & Real

Peng-Robinson, Redlich-Kwong-Soave Lee-Kesler-Plocker Chao-Seader, Grayson-Streed or Braun K-10

Real or pseudocomponents Pressure Electrolytes

P?
Vacuum

P?
E?

Braun K-10 or ideal

Yes

Figure 2
P < 10 bar ij? (See also Figure 3) Polar Non-electrolytes

NRTL, UNIQUAC and their variances WILSON, NRTL, UNIQUAC and their variances UNIFAC LLE

Yes

LL?
No

Yes
No

P?

LL?
No Yes UNIFAC and its extensions

LL? Liquid/Liquid P? ij?

Pressure

P > 10 bar

ij?
No

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

Interaction Parameters Available

Figure 3
Yes

Hexamers

Wilson, NRTL, UNIQUAC, or UNIFAC with special EOS for Hexamers

DP?
Dimers

Wilson NRTL UNIQUAC UNIFAC

VAP? DP?

VAP?

Wilson, NRTL, UNIQUAC, UNIFAC with Hayden OConnell or Northnagel EOS

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

No

Vapor Phase Association

Degrees of Polymerizatiom

UNIFAC* and its Extensions

Bob Seaders Recommendations

Bob Seaders Recommendations Figure 4

Yes Yes Yes PSRK
HC? LG?

Hydrocarbons Light gases

PC?
No
See Figure 5 See Figure 6

E? PC?

Electrolyte
Organic Polar Compound

LG?
No

Yes

HC?

PC?
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 Cryogenic PR

P?
Non-Critical
PR, BWRS

Narrow or wide
HC and/ or LG

T?
Non- Cryogenic SRK, PR

BP?

Very wide

LKP

BP? T? P?

Boiling point range of compound Temperature region

Pressure region

Figure 6
Yes

NRTL, UNIQUAC

Available

PPS?
No Wilson

PC with HC

BIP?

Not Available

UNIFAC

BIP? PPS?

Binary Interaction Parameters 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) Peng-Robinson

Gas Processing with No Methanol, Refinery Distillation

Gas Processing with No Methanol Gas Processing with Methanol or NMP Gas Processing with Methanol or NMP Light Hydrocarbon Systems with H2S and CO2, No 2nd Liquid Phase

SRK Polar

Peng-Robinson Polar Lee-Kesler

Tillner-Roth and Friend NH3 + H2O

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 2H 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