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 Real

ELECNRTL PENG-ROB, RK-SOAVE, LK-PLOCK, PR-BM, RKS-BM > 1atm CHAO-SEA, GRAYSON, BK10

Nonpolar

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 Y N Y N Polar non-electrolyte N Y (correlative models) P > 10 bar N (predictive models) UNIFAC, UNIF-LBY, UNIF-DMD SR-POLAR, PRWS, RKSWS, PRMHV2, RKSMHV2 WILSON, NRTL, UNIQUAC, and their variances UNIF-LL NRTL, UNIQUAC, and their variances

P < 10 bar

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?

Y WILSON NRTL UNIQUAC UNIFAC

Dimers

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

VAP?

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 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 ASME Steam Tables BWR-Lee-Starling Benedict-Webb-Rubin-Starling Hayden-O'Connell HF equation-of-state Ideal Gas Lee-Kesler Lee-Kesler-Plcker NBS/NRC Steam Tables Nothnagel Peng-Robinson Standard Peng-Robinson Peng-Robinson-Wong-Sandler Peng-Robinson-MHV2 Predictive SRK Redlich-Kwong Redlich-Kwong-Aspen Standard Redlich-Kwong-Soave Model Name(s) ESH2O0,ESH2O ESBWR0, ESCSTBWR ESBWRS, ESBWRS0 ESHOC0,ESHOC ESHF0, ESHF ESIG ESLK ESLKP0,ESLKP ESSTEAM0,ESSTEAM ESNTH0,ESNTH ESPR0, ESPR ESPRSTD0,ESPRSTD ESPRWS0,ESPRWS ESPRV20,ESPRV2 ESRKSV10, ESRKSV1 ESRK0, ESRK ESRKA0,ESRKA ESRKSTD0,ESRKSTD Phase(s) Pure VL VL VL V V V VL VL VL V VL VL VL VL VL V VL VL VL VL VL VL VL V VL VL VL VL VL X X X X X X X X X X X X X X X X X X X X X X X X X Mixture X X X X X X X X X X X X X X X X X X X X X X X X X

Redlich-Kwong-Soave-Boston-Mathias ESRKS0,ESRKS Redlich-Kwong-Soave-Wong-Sandler Redlich-Kwong-Soave-MHV2 Schwartzentruber-Renon Soave-Redlich-Kwong VPA/IK-CAPE equation-of-state Peng-Robinson Alpha functions RK-Soave Alpha functions Huron-Vidal mixing rules MHV2 mixing rules PSRK mixing rules ESRKSWS0, ESRKSWS ESRKSV20, ESRKSV2 ESRKU0,ESRKU ESSRK, ESSRK0 ESVPA0, ESVPA

Wong-Sandler mixing rules

VL

Activity Coefficient Models

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

Vapor Pressure and Liquid Fugacity Models

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

Heat of Vaporization Models

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

Molar Volume and Density Models

Property Model API Liquid Volume Brelvi-O'Connell Clarke Aqueous Electrolyte Volume Model Name VL2API VL1BROC VAQCLK Phase(s) Pure L L L Mixture X X X

Costald Liquid Volume Debije-Hckel Volume Rackett / DIPPR / IK-CAPE Liquid Volume Rackett Mixture Liquid Volume Modified Rackett Solids Volume Polynomial

VL0CTD,VL2CTD VAQDH VL0RKT,VL2RKT VL2RKT VL2MRK VS0POLY

L L L L L S

X X X X X

X X X X

Heat Capacity Models

Property Model Aqueous Infinite Dilution Heat Capacity Polynomial Criss-Cobble Aqueous Infinite Dilution Ionic Heat Capacity Model Name Phase(s) Pure L L L V S X X X Mixture X X X

DIPPR / IK-CAPE Liquid Heat Capacity HL0DIP Ideal Gas Heat Capacity / DIPPR Solids Heat Capacity Polynomial HS0POLY

Solubility Correlation Models

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

Other Models
Property Model Cavett Liquid Enthalpy Departure BARIN Equations for Gibbs Energy, Enthalpy, Entropy and Heat Capacity Electrolyte NRTL Enthalpy Electrolyte NRTL Gibbs Energy Liquid Enthalpy from Liquid Heat Capacity Correlation Enthalpies Based on Different Reference Status Model Name DHL0CVT, DHL2CVT HAQELC, HMXELC GAQELC, GMXELC DHL0DIP DHL0HREF Phase(s) Pure L SLV L L L LV X X X X Mixture X X X X X

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 Hydrocarbon separations Demethanizer C3-splitter Cryogenic gas processing Air separation Gas dehydration with glycols Acid gas absorption with Methanol (RECTISOL) NMP (PURISOL) Acid gas absorption with Water Ammonia Amines Amines + methanol (AMISOL) Caustic Lime Hot carbonate Claus process Recommended Property Methods PR-BM, RKS-BM, PENG-ROB, RK-SOAVE

PR-BM, RKS-BM, PENG-ROB, RK-SOAVE PRWS, RKSWS, PRMHV2, RKSMHV2, PSRK, SR-POLAR PRWS, RKSWS, PRMHV2, RKSMHV2, PSRK, SR-POLAR

ELECNRTL

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

Petrochemicals
Application Ethylene plant Primary fractionator Light hydrocarbons Separation train Quench tower Aromatics BTX extraction Substituted hydrocarbons VCM plant Acrylonitrile plant Ether production MTBE, ETBE, TAME Ethylbenzene and styrene plants Recommended Property Methods CHAO-SEA, GRAYSON PENG-ROB, RK-SOAVE

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

WILSON, NRTL, UNIQUAC and their variances PENG-ROB, RK-SOAVE or WILSON, NRTL, UNIQUAC and their variances WILSON, NRTL, UNIQUAC and their variances (with dimerization in acetic acid section)

Terephthalic acid

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 Azeotropic separations Alcohol separation Carboxylic acids Acetic acid plant Phenol plant Liquid phase reactions Esterification Ammonia plant Fluorochemicals Inorganic Chemicals Caustic Acids Phosphoric acid Sulphuric acid Nitric acid Hydrochloric acid Hydrofluoric acid Recommended Property Methods WILSON, NRTL, UNIQUAC and their variances WILS-HOC, NRTL-HOC, UNIQ-HOC WILSON, NRTL, UNIQUAC and their variances WILSON, NRTL, UNIQUAC and their variances PENG-ROB, RK-SOAVE WILS-HF ELECNRTL

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 DHFORM DGFORM Must be available for all components Participating in chemical reactions Involved in equilibrium reactions modeled by the RGibbs reactor model

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