Group contribution multifluid lattice theory for simultaneous predictions of thermodynamic properties of pure fluids and mixtures

Hun Yong Shin; Eun Hyun Choi; Ki Pung Yoo; Chul Soo Lee

doi:10.1016/S0378-3812(99)00189-2

Group contribution multifluid lattice theory for simultaneous predictions of thermodynamic properties of pure fluids and mixtures

Hun Yong Shin, Eun Hyun Choi, Ki Pung Yoo, Chul Soo Lee

Dept. of Chemical and Biomolecular Engineering

Research output: Contribution to journal › Conference article › peer-review

2 Scopus citations

Abstract

A unified group contribution (GC) lattice equation of state (EOS) was formulated based on the multifluid approximation of the nonrandom lattice fluid theory. The GC-EOS requires segment size and interaction energy parameter from functional group characteristics. The unique feature of the approach is that a single set of group parameters are used for both pure fluids and mixtures. The approach was found to be quantitatively applicable for predicting thermodynamic properties of real pure fluids and mixtures. Its potential utility was demonstrated for vapor pressures, vapor-liquid coexistence densities of pure fluids and phase equilibrium properties of mixtures including polymeric solutions.

Original language	English
Pages (from-to)	257-264
Number of pages	8
Journal	Fluid Phase Equilibria
Volume	161
Issue number	2
DOIs	https://doi.org/10.1016/S0378-3812(99)00189-2
State	Published - 24 Jul 1999
Event	Proceedings of the 1998 5th Asian Thermophysical Properties Conference - Seoul, S Kor Duration: 3 Aug 1998 → 2 Sep 1998

Keywords

Equation of state
Group contribution approach
Lattice fluid theory
Vapor-liquid equilibria

Access to Document

10.1016/S0378-3812(99)00189-2

Cite this

@article{e27a4e26c999482aa4ac1ba4e0516b11,

title = "Group contribution multifluid lattice theory for simultaneous predictions of thermodynamic properties of pure fluids and mixtures",

abstract = "A unified group contribution (GC) lattice equation of state (EOS) was formulated based on the multifluid approximation of the nonrandom lattice fluid theory. The GC-EOS requires segment size and interaction energy parameter from functional group characteristics. The unique feature of the approach is that a single set of group parameters are used for both pure fluids and mixtures. The approach was found to be quantitatively applicable for predicting thermodynamic properties of real pure fluids and mixtures. Its potential utility was demonstrated for vapor pressures, vapor-liquid coexistence densities of pure fluids and phase equilibrium properties of mixtures including polymeric solutions.",

keywords = "Equation of state, Group contribution approach, Lattice fluid theory, Vapor-liquid equilibria",

author = "Shin, \{Hun Yong\} and Choi, \{Eun Hyun\} and Yoo, \{Ki Pung\} and Lee, \{Chul Soo\}",

year = "1999",

month = jul,

day = "24",

doi = "10.1016/S0378-3812(99)00189-2",

language = "English",

volume = "161",

pages = "257--264",

journal = "Fluid Phase Equilibria",

issn = "0378-3812",

number = "2",

note = "Proceedings of the 1998 5th Asian Thermophysical Properties Conference ; Conference date: 03-08-1998 Through 02-09-1998",

}

TY - JOUR

T1 - Group contribution multifluid lattice theory for simultaneous predictions of thermodynamic properties of pure fluids and mixtures

AU - Shin, Hun Yong

AU - Choi, Eun Hyun

AU - Yoo, Ki Pung

AU - Lee, Chul Soo

PY - 1999/7/24

Y1 - 1999/7/24

N2 - A unified group contribution (GC) lattice equation of state (EOS) was formulated based on the multifluid approximation of the nonrandom lattice fluid theory. The GC-EOS requires segment size and interaction energy parameter from functional group characteristics. The unique feature of the approach is that a single set of group parameters are used for both pure fluids and mixtures. The approach was found to be quantitatively applicable for predicting thermodynamic properties of real pure fluids and mixtures. Its potential utility was demonstrated for vapor pressures, vapor-liquid coexistence densities of pure fluids and phase equilibrium properties of mixtures including polymeric solutions.

AB - A unified group contribution (GC) lattice equation of state (EOS) was formulated based on the multifluid approximation of the nonrandom lattice fluid theory. The GC-EOS requires segment size and interaction energy parameter from functional group characteristics. The unique feature of the approach is that a single set of group parameters are used for both pure fluids and mixtures. The approach was found to be quantitatively applicable for predicting thermodynamic properties of real pure fluids and mixtures. Its potential utility was demonstrated for vapor pressures, vapor-liquid coexistence densities of pure fluids and phase equilibrium properties of mixtures including polymeric solutions.

KW - Equation of state

KW - Group contribution approach

KW - Lattice fluid theory

KW - Vapor-liquid equilibria

UR - http://www.scopus.com/inward/record.url?scp=0033600376&partnerID=8YFLogxK

U2 - 10.1016/S0378-3812(99)00189-2

DO - 10.1016/S0378-3812(99)00189-2

M3 - Conference article

AN - SCOPUS:0033600376

SN - 0378-3812

VL - 161

SP - 257

EP - 264

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

IS - 2

T2 - Proceedings of the 1998 5th Asian Thermophysical Properties Conference

Y2 - 3 August 1998 through 2 September 1998

ER -

Group contribution multifluid lattice theory for simultaneous predictions of thermodynamic properties of pure fluids and mixtures

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this