Aspen PIus 12.

1 User Guide PhysicaI Property Methods 7-1

C H A P T E R 7
PhysicaI Property Methods
Choosing the appropriate property method is oIten the key decision
in determining the accuracy oI your simulation results. For help on
property methods, see one oI the Iollowing topics:
What is a property method
Available property methods
Choosing a property method
Creating new property methods
SpeciIying the global property method
SpeciIying a property method Ior a Ilowsheet section
SpeciIying a local property method
DeIining supercritical components
SpeciIying properties Ior the Iree-water phase
Special method Ior K-value oI water in the organic phase
SpeciIying electrolyte calculations
ModiIying property methods
Property methods Ior nonconventional components
What Is a Property Method?
A property method is a collection oI methods and models that
Aspen Plus uses to compute thermodynamic and transport
properties.
The thermodynamic properties are:
Fugacity coeIIicient (K-values)
Enthalpy
Entropy
Gibbs Iree energy

7-2 PhysicaI Property Methods Aspen PIus 12.1 User Guide
Volume
The transport properties are:
Viscosity
Thermal conductivity
DiIIusion coeIIicient
SurIace tension
Aspen Plus includes a large number oI built-in property methods
that are suIIicient Ior most applications. However, you can create
new property methods to suit your simulation needs.
Creating New Property Methods
To create a new property method:
Choose an existing property method that closely matches your
desired new method.
Alter it according to the instructions in ModiIying Property
Methods.
Or
Import a CAPE-OPEN Property Package by Iollowing the
instructions in Importing a CAPE-OPEN Property Package.
AvaiIabIe Property Methods
You must select one or more Property Methods to model the
properties oI speciIic systems in your Ilowsheet. Each property
method has a unique approach to representing K-values.
The Iollowing topics list all oI the property methods available in
Aspen Plus.
You can modiIy these existing methods or create new methods.
For more inIormation, see ModiIying Property Methods.



IdeaI Property Method K-VaIue Method
IDEAL Ideal Gas/Raoult's law/Henry's law
SYSOP0 Release 8 version oI Ideal Gas/Raoult's law

IdeaI Property
Methods

Aspen PIus 12.1 User Guide PhysicaI Property Methods 7-3



Equation-of-State Property Method K-VaIue Method
BWR-LS BWR Lee-Starling
LK-PLOCK Lee-Kesler-Plcker
PENG-ROB Peng-Robinson
PR-BM Peng-Robinson
with Boston-Mathias alpha Iunction
PRWS Peng-Robinson
with Wong-Sandler mixing rules
PRMHV2 Peng-Robinson
with modiIied Huron-Vidal mixing rules
PSRK Predictive Redlich-Kwong-Soave
RKSWS Redlich-Kwong-Soave
with Wong-Sandler mixing rules
RKSMHV2 Redlich-Kwong-Soave
with modiIied Huron-Vidal mixing rules
RK-ASPEN Redlich-Kwong-ASPEN
RK-SOAVE Redlich-Kwong-Soave
RKS-BM Redlich-Kwong-Soave
with Boston-Mathias alpha Iunction
SR-POLAR Schwartzentruber-Renon



Activity Coefficient
Property Method
Liquid Phase Activity
Coefficient Method
Vapor Phase Fugacity
Coefficient Method
B-PITZER Bromley-Pitzer Redlich-Kwong-Soave
ELECNRTL Electrolyte NRTL Redlich-Kwong
ENRTL-HF Electrolyte NRTL HF Hexamerization model
ENRTL-HG Electrolyte NRTL Redlich-Kwong
NRTL NRTL Ideal gas
NRTL-HOC NRTL Hayden-O'Connell
NRTL-NTH NRTL Nothnagel
NRTL-RK NRTL Redlich-Kwong
NRTL-2 NRTL (using dataset 2) Ideal gas
PITZER Pitzer Redlich-Kwong-Soave
PITZ-HG Pitzer Redlich-Kwong-Soave
UNIFAC UNIFAC Redlich-Kwong
UNIF-DMD Dortmund-modiIied UNIFAC Redlich-Kwong-Soave
UNIF-HOC UNIFAC Hayden-O'Connell
UNIF-LBY Lyngby-modiIied UNIFAC Ideal gas
Equation of State
Property Methods
Activity Coefficient
Property Methods

7-4 PhysicaI Property Methods Aspen PIus 12.1 User Guide
Activity Coefficient
Property Method
Liquid Phase Activity
Coefficient Method
Vapor Phase Fugacity
Coefficient Method
UNIF-LL UNIFAC Ior liquid-liquid systems Redlich-Kwong
UNIQUAC UNIQUAC Ideal gas
UNIQ-HOC UNIQUAC Hayden-O'Connell
UNIQ-NTH UNIQUAC Nothnagel
UNIQ-RK UNIQUAC Redlich-Kwong
UNIQ-2 UNIQUAC (using dataset 2) Ideal gas
VANLAAR Van Laar Ideal gas
VANL-HOC Van Laar Hayden-O'Connell
VANL-NTH Van Laar Nothnagel
VANL-RK Van Laar Redlich-Kwong
VANL-2 Van Laar (using dataset 2) Ideal gas
WILSON Wilson Ideal gas
WILS-HOC Wilson Hayden-O'Connell
WILS-NTH Wilson Nothnagel
WILS-RK Wilson Redlich-Kwong
WILS-2 Wilson (using dataset 2) Ideal gas
WILS-HF Wilson HF Hexamerization model
WILS-GLR Wilson (ideal gas and liquid
enthalpy reIerence state)
Ideal gas
WILS-LR Wilson (liquid enthalpy reIerence
state)
Ideal gas
WILS-VOL Wilson with volume term Redlich-Kwong



Property Methods for
SpeciaI Systems
K-VaIue Method System
AMINES Kent-Eisenberg amines model H2S, CO2, in MEA, DEA, DIPA,
DGA solution
APISOUR API sour water model Sour water with NH3, H2S, CO2
BK-10 Braun K-10 Petroleum
SOLIDS Ideal Gas/Raoult's law/Henry's law/solid
activity coeIIicients
Pyrometallurgical
CHAO-SEA Chao-Seader corresponding states model Petroleum
GRAYSON Grayson-Streed corresponding states
model
Petroleum
STEAM-TA ASME steam table correlations Water/steam
STEAMNBS NBS/NRC steam table equation oI state Water/steam
Property Methods for
SpeciaI Systems

Aspen PIus 12.1 User Guide PhysicaI Property Methods 7-5
Choosing a Property Method
This topic contains inIormation about choosing the best property
method Ior your simulation including:
Recommended property methods Ior diIIerent applications
Guidelines Ior choosing a property method
SpeciIying the global property method
SpeciIying a property method Ior a Ilowsheet section
SpeciIying a local property method
See the Iollowing topics to see a table showing the recommended
property methods Ior a simulation oI that type.


AppIication Recommended Property Methods
Reservoir systems PR-BM, RKS-BM
PlatIorm separation PR-BM, RKS-BM
Transportation oI oil and gas by pipeline PR-BM, RKS-BM


AppIication Recommended Property Methods
Low pressure applications
(up to several atm)
Vacuum tower,
atmospheric crude tower
BK10, CHAO-SEA, GRAYSON
Medium pressure applications
(up to several tens oI atm)
Coker main Iractionator,
FCC main Iractionator
CHAO-SEA, GRAYSON, PENG-ROB, RK-SOAVE
Hydrogen-rich applications
ReIormer, HydroIiner
GRAYSON, PENG-ROB, RK-SOAVE
Lube oil unit, De-asphalting unit PENG-ROB, RK-SOAVE


AppIication 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
Recommended
Property Methods for
Different AppIications
Oil and Gas Production
Refinery
Gas Processing

7-6 PhysicaI Property Methods Aspen PIus 12.1 User Guide
AppIication Recommended Property Methods
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


AppIication Recommended Property Methods
Ethylene plant
Primary Iractionator
Light hydrocarbons
Separation train
Quench tower
CHAO-SEA, GRAYSON

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

AppIication 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
Petrochemicals
Chemicals

Aspen PIus 12.1 User Guide PhysicaI Property Methods 7-7
AppIication Recommended Property Methods
Liquid phase reactions
EsteriIication
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
HydroIluoric acid ENRTL-HF
See Guidelines Ior Choosing a Property Method to see
recommendations based on pressure and vapor phase association.

AppIication Recommended Property Methods
Size reduction crushing, grinding SOLIDS
Separation and cleaning sieving,
cyclones, precipitation, washing
SOLIDS
Combustion PR-BM, RKS-BM (combustion databank)
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
Coal gasiIication and liqueIaction See Synthetic Fuels table.


AppIication Recommended Property Methods
Combustion
Coal
Oil
PR-BM, RKS-BM (combustion databank)
Steam cycles
Compressors
Turbines
STEAMNBS, STEAM-TA
Acid gas absorption See gas processing.

Coal Processing
Power Generation

7-8 PhysicaI Property Methods Aspen PIus 12.1 User Guide


AppIication Recommended Property Methods
Synthesis gas PR-BM, RKS-BM
Coal gasiIication PR-BM, RKS-BM
Coal liqueIaction PR-BM, RKS-BM, BWR-LS


AppIication Recommended Property Methods
Solvent recovery WILSON, NRTL, UNIQUAC and their variances
(Substituted) hydrocarbon stripping WILSON, NRTL, UNIQUAC and their variances
Acid gas stripping Irom
Methanol (RECTISOL)
NMP (PURISOL)
PRWS, RKSWS, PRMHV2, RKSMHV2, PSRK,
SR-POLAR
Acid gas stripping Irom:
Water
Ammonia
Amines
Amines methanol (AMISOL)
Caustic
Lime
Hot carbonate
ELECNRTL
Acids
Stripping
Neutralization
ELECNRTL
See Guidelines Ior Choosing a Property Method Ior Polar Non-
Electrolyte Systems to see diagrams Ior recommendations based on
pressure and vapor phase association.

AppIication Recommended Property Methods
Steam systems
Coolant
STEAMNBS, STEAMTA



AppIication Recommended Property Methods
Mechanical processing:
Crushing
Grinding
Sieving
Washing
SOLIDS
Hydrometallurgy
Mineral leaching
ELECNRTL
Synthetic Fuel
Environmental
Water and Steam
Mineral and Metallurgical
Processes

Aspen PIus 12.1 User Guide PhysicaI Property Methods 7-9
AppIication Recommended Property Methods
Pyrometallurgy
Smelter
Converter
SOLIDS
The Iollowing diagrams show the process Ior choosing a property
method.
Polar
Non-electrolyte
Electrolyte
Real
Vacuum
ELECNRTL
CHAO-SEA, GRAYSON,
BK10
BK10, DEAL
PENG-ROB, RK-SOAVE,
LK-PLOCK, PR-BM,
RKS-BM
Pseudo &
Real
Nonpolar
Real or Pseudocomponents
Electrolyte
Pressure
Polarity
*
> 1atm

* See the next Iigure to continue.
GuideIines for
Choosing a Property
Method

7-10 PhysicaI Property Methods Aspen PIus 12.1 User Guide
P < 10 bar
P > 10 bar
Polar,
non-electrolyte
PSRK, RKSMHV2
SR-POLAR, PRWS,
RKSWS, PRMHV2,
RKSMHV2
UNFAC, UNF-LBY,
UNF-DMD
UNF-LL
NRTL, UNQUAC,
and their variances
WLSON, NRTL, UNQUAC,
and their variances
Pressure
nteraction parameters available
Liquid-Liquid
Y
Y
N
N
Y
N
Y
N

* See the next Iigure to continue.
Vapor phase association
Degrees of polymerization
Dimers
WLS-HF
WLS-NTH, WLS-HOC
NRTL-NTH, NRTL-HOC
UNQ-NTH, UNQ-HOC
UNF-HOC
WLSON, WLS-RK,
WLS-LR, WLS-GLR,
NRTL, NRTL-RK, NRTL-2
UNQUAC, UNQ-RK,
UNQ-2, UNFAC, UNF-LL,
UNF-LBY, UNF-DMD
WLSON
NRTL
UNQUAC
UNFAC
N
Y
VAP?
Hexamers
DP?

Aspen Plus uses the global property method Ior all property
calculations, unless you speciIy a diIIerent property method Ior a
speciIic Ilowsheet section, unit operation block, or property
analysis.

Guidelines for Choosing
a Property Method for
Polar Non-Electrolyte
Systems
Guidelines for Choosing
an Activity Coefficient
Property Method
Specifying the GIobaI
Property Method