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Property Package Selection

The document provides guidance on selecting appropriate thermodynamic models for modeling different systems based on their properties and conditions. It presents a decision tree that evaluates whether a system involves hexamers, dimers, liquid-liquid equilibrium, pressure above or below 10 bar, electrolytes, polar or non-polar components, real or pseudo components, and vapor phase association to determine the best fitting models such as NRTL, Wilson, or UNIQUAC and their variants.

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Andres HI
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90 views2 pages

Property Package Selection

The document provides guidance on selecting appropriate thermodynamic models for modeling different systems based on their properties and conditions. It presents a decision tree that evaluates whether a system involves hexamers, dimers, liquid-liquid equilibrium, pressure above or below 10 bar, electrolytes, polar or non-polar components, real or pseudo components, and vapor phase association to determine the best fitting models such as NRTL, Wilson, or UNIQUAC and their variants.

Uploaded by

Andres HI
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd
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Themodynamic Model Selection

Hexamers
WILS-HF
Yes NRTL, UNIQUAC
and their variances
DP?
Yes
LL? Yes WILS-NTH, WILS-HOC,
Dimers NRTL-NTH, NRTL-HOC,
No WILSON, NRTL,
UNIQ-NTH, UNIQ-HOC,
UNIQUAC and their
UNIF-HOC
variances
P < 10 bar
*WILSON,
ij? NRTL VAP?
Yes
* UNIF-LL
UNIQUAC,
UNIFAC
No
LL?
WILSON, WILS-RK, WILS-LR,
No No WILS-GLR, NRTL, NRTL-RK,
UNIFAC, UNIF-
NRTL-2, UNIQUAC, UNIQ-RK,
LBY, UNIF-DMD
UNIQ-2, UNIFAC, UNIF-LL,
Non-Electrolyte Yes SR-POLAR, PRWS, UNIF-LBY, UNIF-DMD
P? RKSWS, PRMHV2,
RKSHMV2
P > 10 bar
ij?
Polar No
E? PSRK, RKSMHV2

Electrolyte
ELECTNRTL

? Nomenclature
? Polarity ij? Interaction
Real PENG-ROB, RK-SOAVE,
LK-PLOCK, PR-BM, RKS- parameters available
BM

R? E? Electrolyte LL? Liquid-Liquid


No-Polar 1 atm CHAO-SEA,
GRAYSON, BK10
Pseudo
& Real Vapor phase
R? P? Pressure VAP?
association
Vacuum BK-10,
IDEAL
Degrees of
R? Real or DP?
polymerization
Pseudocomponents

Taken from Aspen Documentation Manual.

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