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
Nonpolar > 1atm
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

N WILSON, NRTL, UNIQUAC,

P < 10 bar and their variances
Y
UNIF-LL

N
Polar
non-electrolyte N UNIFAC, UNIF-LBY,
UNIF-DMD

Y (correlative models)
SR-POLAR, PRWS,
RKSWS, PRMHV2,
P > 10 bar RKSMHV2

N (predictive models)
PSRK, RKSMHV2

Pressure 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?

WILS-NTH, WILS-HOC
Y Dimers NRTL-NTH, NRTL-HOC
UNIQ-NTH, UNIQ-HOC
WILSON UNIF-HOC
NRTL VAP?
UNIQUAC
UNIFAC

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

Vapor phase association

Degrees of polymerization
 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 next to the Property method field on the Properties | Specifications | Global
sheet.

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 X
BWR-Lee-Starling ESBWR0, ESCSTBWR VL X X
Benedict-Webb-Rubin-Starling ESBWRS, ESBWRS0 VL X X
Hayden-O'Connell ESHOC0,ESHOC V X X
HF equation-of-state ESHF0, ESHF V X X
Ideal Gas ESIG V X X
Lee-Kesler ESLK VL X
Lee-Kesler-Plcker ESLKP0,ESLKP VL X X
NBS/NRC Steam Tables ESSTEAM0,ESSTEAM VL X
Nothnagel ESNTH0,ESNTH V X X
Peng-Robinson ESPR0, ESPR VL X X
Standard Peng-Robinson ESPRSTD0,ESPRSTD VL X X
Peng-Robinson-Wong-Sandler ESPRWS0,ESPRWS VL X X
Peng-Robinson-MHV2 ESPRV20,ESPRV2 VL X X
Predictive SRK ESRKSV10, ESRKSV1 VL X X
Redlich-Kwong ESRK0, ESRK V X X
Redlich-Kwong-Aspen ESRKA0,ESRKA VL X X
Standard Redlich-Kwong-Soave ESRKSTD0,ESRKSTD VL X X
Redlich-Kwong-Soave-Boston-Mathias ESRKS0,ESRKS VL X X
Redlich-Kwong-Soave-Wong-Sandler ESRKSWS0, ESRKSWS VL X X
Redlich-Kwong-Soave-MHV2 ESRKSV20, ESRKSV2 VL X X
Schwartzentruber-Renon ESRKU0,ESRKU VL X X
Soave-Redlich-Kwong ESSRK, ESSRK0 VL X X
VPA/IK-CAPE equation-of-state ESVPA0, ESVPA V X X
Peng-Robinson Alpha functions VL X
RK-Soave Alpha functions VL X
Huron-Vidal mixing rules VL X
MHV2 mixing rules VL X
PSRK mixing rules VL X
Wong-Sandler mixing rules VL X

Activity Coefficient Models

Property Model Model Name Phase(s) Pure Mixture
Bromley-Pitzer(Chien-Null) GMPT2 L X
Chien-Null GMCHNULL L X
Constant Activity Coefficient GMCONS S X
Electrolyte NRTL GMELC L L1 L2 X
Ideal Liquid GMIDL L X
NRTL(Non-Random-Two-Liquid) GMRENON L L1 L2 X
Pitzer GMPT1 L X
Polynomial Activity Coefficient GMPOLY S X
Redlich-Kister GMREDKIS LS X
Scatchard-Hildebrand GMXSH L X
Three-Suffix Margules GMMARGUL LS X
UNIFAC GMUFAC L L1 L2 X
UNIFAC (Lyngby modified) GMUFLBY L L1 L2 X
UNIFAC (Dortmund modified) GMUFDMD L L1 L2 X
UNIQUAC GMUQUAC L L1 L2 X
van Laar GMVLAAR L X
Wagner interaction parameter GMWIP S X
Wilson GMWILSON L X
Wilson model with liquid molar GMWSNVOL L X
volume

Vapor Pressure and Liquid Fugacity Models

Property Model Model Name Phase(s) Pure Mixture
Extended Antoine/Wagner PL0XANT L L1 L2 X
Chao-Seader PHL0CS L X
Grayson-Streed PHL0GS L X
Kent-Eisenberg ESAMIN L X
Maxwell-Bonnell PL0MXBN L L1 L2 X
Solid Antoine PS0ANT S X

Heat of Vaporization Models

Property Model Model Name Phase(s) Pure Mixture
Watson / DIPPR / IK-CAPE DHVLWTSN L X
Clausius-Clapeyron Equation DHVLWTSN L X

Molar Volume and Density Models

Property Model Model Name Phase(s) Pure Mixture
API Liquid Volume VL2API L X
Brelvi-O'Connell VL1BROC L X
Clarke Aqueous Electrolyte Volume VAQCLK L X
Costald Liquid Volume VL0CTD,VL2CTD L X X
Debije-Hckel Volume VAQDH L X
Rackett / DIPPR / IK-CAPE Liquid VL0RKT,VL2RKT L X
Volume
Rackett Mixture Liquid Volume VL2RKT L X X
Modified Rackett VL2MRK L X X
Solids Volume Polynomial VS0POLY S X

Heat Capacity Models

Property Model Model Name Phase(s) Pure Mixture
Aqueous Infinite Dilution Heat L X
Capacity Polynomial
Criss-Cobble Aqueous Infinite L X
Dilution Ionic Heat Capacity
DIPPR / IK-CAPE Liquid Heat Capacity HL0DIP L X
Ideal Gas Heat Capacity / DIPPR V X X
Solids Heat Capacity Polynomial HS0POLY S X

Solubility Correlation Models

Property Model Model Name Phase(s) Pure Mixture
Henry's constant HENRY1 L X
Water solubility L X

Other Models
Property Model Model Name Phase(s) Pure Mixture
Cavett Liquid Enthalpy Departure DHL0CVT, DHL2CVT L X X
BARIN Equations for Gibbs Energy, SLV X
Enthalpy, Entropy and Heat Capacity
Electrolyte NRTL Enthalpy HAQELC, HMXELC L X
Electrolyte NRTL Gibbs Energy GAQELC, GMXELC L X
Liquid Enthalpy from Liquid Heat DHL0DIP L X X
Capacity Correlation
Enthalpies Based on Different DHL0HREF LV X X
Reference Status
 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 PR-BM, RKS-BM, PENG-ROB, RK-SOAVE
Demethanizer
C3-splitter
Cryogenic gas processing PR-BM, RKS-BM, PENG-ROB, RK-SOAVE
Air separation
Gas dehydration with glycols PRWS, RKSWS, PRMHV2, RKSMHV2, PSRK, SR-POLAR
Acid gas absorption with PRWS, RKSWS, PRMHV2, RKSMHV2, PSRK, SR-POLAR
Methanol (RECTISOL)
NMP (PURISOL)
Acid gas absorption with ELECNRTL
Water
Ammonia
Amines
Amines + methanol
(AMISOL)
Caustic
Lime
Hot carbonate
Claus process PRWS, RKSWS, PRMHV2, RKSMHV2, PSRK, SR-POLAR
 Petrochemicals

Application Recommended Property Methods

Ethylene plant CHAO-SEA, GRAYSON
Primary fractionator
Light hydrocarbons PENG-ROB, RK-SOAVE
Separation train
Quench tower
Aromatics WILSON, NRTL, UNIQUAC and their variances
BTX extraction
Substituted hydrocarbons PENG-ROB, RK-SOAVE
VCM plant
Acrylonitrile plant
Ether production WILSON, NRTL, UNIQUAC and their variances
MTBE, ETBE, TAME
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 WILSON, NRTL, UNIQUAC and their variances
Alcohol separation
Carboxylic acids WILS-HOC, NRTL-HOC, UNIQ-HOC
Acetic acid plant
Phenol plant WILSON, NRTL, UNIQUAC and their variances
Liquid phase reactions WILSON, NRTL, UNIQUAC and their variances
Esterification
Ammonia plant PENG-ROB, RK-SOAVE
Fluorochemicals WILS-HF
Inorganic Chemicals ELECNRTL
Caustic
Acids
Phosphoric acid
Sulphuric acid
Nitric acid
Hydrochloric acid
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