Guidelines for Choosing a Property Method

The following diagrams show the process for choosing a property method.
Note: For a more detailed way of choosing a property method, including
consideration of process type, use the Property Method Selection Assistant.
Non-electrolyte

Polar

Electrolyte

ELECNRTL

Real

PENG-ROB, RK-SOAVE,
LK-PLOCK, PR-BM,
RKS-BM
> 1atm

Nonpolar

CHAO-SEA, GRAYSON,
BK10
Pseudo &
Real

Vacuum

BK10, IDEAL

Polarity

Electrolyte

Real or Pseudocomponents

Pressure

See the next figure to continue.

See Also
Guidelines for Choosing a Property Method for Polar Non-Electrolyte Systems
Guidelines for Choosing an Activity Coefficient Property Method

Guidelines for Choosing a Property Method for Polar

Non-Electrolyte Systems
Y

NRTL, UNIQUAC,
and their variances

Y
N

P < 10 bar

WILSON, NRTL, UNIQUAC,

and their variances
UNIF-LL

N
Polar
non-electrolyte

N
Y (correlative models)
P > 10 bar
N (predictive models)

Pressure

UNIFAC, UNIF-LBY,
UNIF-DMD
SR-POLAR, PRWS,
RKSWS, PRMHV2,
RKSMHV2

PSRK, RKSMHV2

Liquid-Liquid

Interaction parameters available (in databanks or user-specified)

* See the next figure to continue.

See Also
Guidelines for Choosing an Activity Coefficient Property Method

Guidelines for Choosing an Activity Coefficient Property Method

Hexamers

WILS-HF

DP?

Y
WILSON
NRTL
UNIQUAC
UNIFAC

Dimers

WILS-NTH, WILS-HOC
NRTL-NTH, NRTL-HOC
UNIQ-NTH, UNIQ-HOC
UNIF-HOC

VAP?

Vapor phase association

Degrees of polymerization

WILSON, WILS-RK,
WILS-LR, WILS-GLR,
NRTL, NRTL-RK, NRTL-2
UNIQUAC, UNIQ-RK,
UNIQ-2, UNIFAC, UNIF-LL,
UNIF-LBY, UNIF-DMD

Using the Property Method Selection Assistant to Choose a

Property Method
The Property Method Selection Assistant helps you to select the most appropriate property method
for modeling your system.
To open the Property Method Selection Assistant wizard:

On the Tools menu, select Property method selection assistant.

or

Click
sheet.

next to the Property method field on the Properties | Specifications | Global

The Property Method Selection Assistant wizard guides you step-by-step by enquiring a series of
questions about the type of process or component involved in your system. Then it suggests one or
more property methods that are most suitable to use with relevant links on each suggested methods.

Links do not function. To access the original, with functioning links, do the following while in Aspen Plus. Help, Contents,
Accessing Other Help, click on the Aspen Physical Properties System Help link, in the Contents select
Aspen Physical Property System Reference, Physical Property Methods and Models Reference Manual,
Chapter 3 Property Model Description, Thermodynamic Property Models, Overview.

Thermodynamic Property Models

This section describes the available thermodynamic property models in the Aspen Physical Property
System. The following table provides a list of available models, with corresponding Aspen Physical
Property System model names. The table provides phase types for which the model can be used and
information on use of the model for pure components and mixtures.
Aspen Physical Property System thermodynamic property models include classical thermodynamic
property models, such as activity coefficient models and equations of state, as well as solids and
electrolyte models. The models are grouped according to the type of property they describe.
Thermodynamic Property Models
Equation-of-State Models
Property Model

Model Name(s)

Phase(s) Pure

Mixture

ASME Steam Tables

ESH2O0,ESH2O

VL

BWR-Lee-Starling

ESBWR0, ESCSTBWR

VL

Benedict-Webb-Rubin-Starling

ESBWRS, ESBWRS0

VL

Hayden-O'Connell

ESHOC0,ESHOC

HF equation-of-state

ESHF0, ESHF

Ideal Gas

ESIG

Lee-Kesler

ESLK

VL

Lee-Kesler-Plcker

ESLKP0,ESLKP

VL

NBS/NRC Steam Tables

ESSTEAM0,ESSTEAM

VL

Nothnagel

ESNTH0,ESNTH

Peng-Robinson

ESPR0, ESPR

VL

Standard Peng-Robinson

ESPRSTD0,ESPRSTD

VL

Peng-Robinson-Wong-Sandler

ESPRWS0,ESPRWS

VL

Peng-Robinson-MHV2

ESPRV20,ESPRV2

VL

Predictive SRK

ESRKSV10, ESRKSV1

VL

Redlich-Kwong

ESRK0, ESRK

Redlich-Kwong-Aspen

ESRKA0,ESRKA

VL

Standard Redlich-Kwong-Soave

ESRKSTD0,ESRKSTD

VL

Redlich-Kwong-Soave-Boston-Mathias ESRKS0,ESRKS

VL

Redlich-Kwong-Soave-Wong-Sandler

ESRKSWS0, ESRKSWS

VL

Redlich-Kwong-Soave-MHV2

ESRKSV20, ESRKSV2

VL

Schwartzentruber-Renon

ESRKU0,ESRKU

VL

Soave-Redlich-Kwong

ESSRK, ESSRK0

VL

VPA/IK-CAPE equation-of-state

ESVPA0, ESVPA

Peng-Robinson Alpha functions

VL

RK-Soave Alpha functions

VL

Huron-Vidal mixing rules

VL

MHV2 mixing rules

VL

PSRK mixing rules

VL

Wong-Sandler mixing rules

VL

Property Model

Model Name

Phase(s) Pure

Mixture

Bromley-Pitzer(Chien-Null)

GMPT2

Chien-Null

GMCHNULL

Constant Activity Coefficient

GMCONS

Electrolyte NRTL

GMELC

L L1 L2

Ideal Liquid

GMIDL

NRTL(Non-Random-Two-Liquid)

GMRENON

L L1 L2

Pitzer

GMPT1

Polynomial Activity Coefficient

GMPOLY

Redlich-Kister

GMREDKIS

LS

Scatchard-Hildebrand

GMXSH

Three-Suffix Margules

GMMARGUL

LS

UNIFAC

GMUFAC

L L1 L2

UNIFAC (Lyngby modified)

GMUFLBY

L L1 L2

UNIFAC (Dortmund modified)

GMUFDMD

L L1 L2

UNIQUAC

GMUQUAC

L L1 L2

van Laar

GMVLAAR

Wagner interaction parameter

GMWIP

Wilson

GMWILSON

Wilson model with liquid molar

volume

GMWSNVOL

Activity Coefficient Models

Vapor Pressure and Liquid Fugacity Models

Property Model

Model Name

Phase(s) Pure

Mixture

Extended Antoine/Wagner

PL0XANT

L L1 L2

Chao-Seader

PHL0CS

Grayson-Streed

PHL0GS

Kent-Eisenberg

ESAMIN

Maxwell-Bonnell

PL0MXBN

L L1 L2

Solid Antoine

PS0ANT

Property Model

Model Name

Phase(s) Pure

Mixture

Watson / DIPPR / IK-CAPE

DHVLWTSN

Clausius-Clapeyron Equation

DHVLWTSN

Heat of Vaporization Models

Molar Volume and Density Models

Property Model

Model Name

Phase(s) Pure

Mixture

API Liquid Volume

VL2API

Brelvi-O'Connell

VL1BROC

Clarke Aqueous Electrolyte Volume

VAQCLK

Costald Liquid Volume

VL0CTD,VL2CTD

Debije-Hckel Volume

VAQDH

Rackett / DIPPR / IK-CAPE Liquid

Volume

VL0RKT,VL2RKT

Rackett Mixture Liquid Volume

VL2RKT

Modified Rackett

VL2MRK

Solids Volume Polynomial

VS0POLY

Property Model

Model Name

Phase(s) Pure

Mixture

Aqueous Infinite Dilution Heat

Capacity Polynomial

Criss-Cobble Aqueous Infinite

Dilution Ionic Heat Capacity

DIPPR / IK-CAPE Liquid Heat Capacity HL0DIP

Ideal Gas Heat Capacity / DIPPR

Solids Heat Capacity Polynomial

HS0POLY

Property Model

Model Name

Phase(s) Pure

Mixture

Henry's constant

HENRY1

Water solubility

Property Model

Model Name

Phase(s) Pure

Mixture

Cavett Liquid Enthalpy Departure

DHL0CVT, DHL2CVT

BARIN Equations for Gibbs Energy,

Enthalpy, Entropy and Heat Capacity

SLV

Electrolyte NRTL Enthalpy

HAQELC, HMXELC

Electrolyte NRTL Gibbs Energy

GAQELC, GMXELC

Liquid Enthalpy from Liquid Heat

Capacity Correlation

DHL0DIP

Enthalpies Based on Different

Reference Status

DHL0HREF

LV

Heat Capacity Models

Solubility Correlation Models

Other Models

Recommended Property Methods for Different Applications

See the following topics to see a table showing the recommended property methods for a simulation
of that type.
Oil and gas production
Refinery
Gas processing
Petrochemicals
Chemicals
Coal processing
Power generation
Synthetic fuel
Environmental
Water and steam
Mineral and metallurgical processes

Gas Processing
Application

Recommended Property Methods

Hydrocarbon separations
Demethanizer
C3-splitter

PR-BM, RKS-BM, PENG-ROB, RK-SOAVE

Cryogenic gas processing

Air separation

PR-BM, RKS-BM, PENG-ROB, RK-SOAVE

Gas dehydration with glycols

PRWS, RKSWS, PRMHV2, RKSMHV2, PSRK, SR-POLAR

Acid gas absorption with

Methanol (RECTISOL)
NMP (PURISOL)

PRWS, RKSWS, PRMHV2, RKSMHV2, PSRK, SR-POLAR

Acid gas absorption with

Water
Ammonia
Amines
Amines + methanol
(AMISOL)
Caustic
Lime
Hot carbonate

ELECNRTL

Claus process

PRWS, RKSWS, PRMHV2, RKSMHV2, PSRK, SR-POLAR

Petrochemicals
Application

Recommended Property Methods

Ethylene plant
Primary fractionator

CHAO-SEA, GRAYSON

Light hydrocarbons
Separation train
Quench tower

PENG-ROB, RK-SOAVE

Aromatics
BTX extraction

WILSON, NRTL, UNIQUAC and their variances

Substituted hydrocarbons
VCM plant
Acrylonitrile plant

PENG-ROB, RK-SOAVE

Ether production
MTBE, ETBE, TAME

WILSON, NRTL, UNIQUAC and their variances

Ethylbenzene and styrene plants

PENG-ROB, RK-SOAVE
or
WILSON, NRTL, UNIQUAC and their variances

Terephthalic acid

WILSON, NRTL, UNIQUAC and their variances

(with dimerization in acetic acid section)

See Guidelines for Choosing a Property Method for Polar Non-Electrolyte Systems to see diagrams for
recommendations based on pressure and vapor phase association.

Chemicals
Application

Recommended Property Methods

Azeotropic separations
Alcohol separation

WILSON, NRTL, UNIQUAC and their variances

Carboxylic acids
Acetic acid plant

WILS-HOC, NRTL-HOC, UNIQ-HOC

Phenol plant

WILSON, NRTL, UNIQUAC and their variances

Liquid phase reactions

Esterification

WILSON, NRTL, UNIQUAC and their variances

Ammonia plant

PENG-ROB, RK-SOAVE

Fluorochemicals

WILS-HF

Inorganic Chemicals
Caustic
Acids
Phosphoric acid
Sulphuric acid
Nitric acid
Hydrochloric acid

ELECNRTL

Hydrofluoric acid

ENRTL-HF

See Guidelines for Choosing a Property Method to see recommendations based on pressure and vapor
phase association.

Parameter Requirements for Thermodynamic Reference State

The reference state for thermodynamic properties is the constituent elements in an ideal gas state at
298.15 K and 1 atm. To calculate enthalpies, entropies, and Gibbs free energies, Aspen Plus uses:

Ideal gas heat of formation (DHFORM)

Ideal gas Gibbs free energy of formation (DGFORM)

For systems that do not involve chemical reaction, you may allow DHFORM and DGFORM to default to
zero.
Values of

Must be available for all components

DHFORM

Participating in chemical reactions

DGFORM

Involved in equilibrium reactions modeled by the RGibbs reactor model

See Also
Reference State for Conventional Solid Components
Reference State for Ionic Species