Extended hydrogen-bonding lattice fluid theory for dimers and n-mers

B. H. Park; J. W. Kang; K. P. Yoo; C. S. Lee

doi:10.1016/S0378-3812(01)00703-8

Extended hydrogen-bonding lattice fluid theory for dimers and n-mers

B. H. Park, J. W. Kang, K. P. Yoo, C. S. Lee

Department of Chemical and Biological Engineering

Research output: Contribution to journal › Article › peer-review

21 Citations (Scopus)

Abstract

The importance of contributions to real fluid properties by specific interactions has long been recognized. However, it is only recent since such effects have been incorporated into an equation of state. Still the description of some associating systems including organic acids presented difficulties. To explore the solution for such systems, the Veytsman's statistics was extended for dimers and n-mers. Combining the extended statistics with the physical contribution of the present authors' nonrandom lattice fluid model a new Helmholtz's free energy equation was proposed and the resulting equations for pressure and chemical potential were derived. Vapor-liquid equilibria for binary mixtures of organic acids, alcohol, water and alkanes were calculated using the model. The results were found satisfactory for most systems when compared with experimental data.

Original language	English
Pages (from-to)	609-617
Number of pages	9
Journal	Fluid Phase Equilibria
Volume	194-197
DOIs	https://doi.org/10.1016/S0378-3812(01)00703-8
Publication status	Published - 2002 Mar 30

Keywords

Association
Dimer
Equation of state
Mixtures
Vapor-liquid equilibria

ASJC Scopus subject areas

Chemical Engineering(all)
Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/S0378-3812(01)00703-8

Cite this

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abstract = "The importance of contributions to real fluid properties by specific interactions has long been recognized. However, it is only recent since such effects have been incorporated into an equation of state. Still the description of some associating systems including organic acids presented difficulties. To explore the solution for such systems, the Veytsman's statistics was extended for dimers and n-mers. Combining the extended statistics with the physical contribution of the present authors' nonrandom lattice fluid model a new Helmholtz's free energy equation was proposed and the resulting equations for pressure and chemical potential were derived. Vapor-liquid equilibria for binary mixtures of organic acids, alcohol, water and alkanes were calculated using the model. The results were found satisfactory for most systems when compared with experimental data.",

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T1 - Extended hydrogen-bonding lattice fluid theory for dimers and n-mers

AU - Park, B. H.

AU - Kang, J. W.

AU - Yoo, K. P.

AU - Lee, C. S.

PY - 2002/3/30

Y1 - 2002/3/30

N2 - The importance of contributions to real fluid properties by specific interactions has long been recognized. However, it is only recent since such effects have been incorporated into an equation of state. Still the description of some associating systems including organic acids presented difficulties. To explore the solution for such systems, the Veytsman's statistics was extended for dimers and n-mers. Combining the extended statistics with the physical contribution of the present authors' nonrandom lattice fluid model a new Helmholtz's free energy equation was proposed and the resulting equations for pressure and chemical potential were derived. Vapor-liquid equilibria for binary mixtures of organic acids, alcohol, water and alkanes were calculated using the model. The results were found satisfactory for most systems when compared with experimental data.

AB - The importance of contributions to real fluid properties by specific interactions has long been recognized. However, it is only recent since such effects have been incorporated into an equation of state. Still the description of some associating systems including organic acids presented difficulties. To explore the solution for such systems, the Veytsman's statistics was extended for dimers and n-mers. Combining the extended statistics with the physical contribution of the present authors' nonrandom lattice fluid model a new Helmholtz's free energy equation was proposed and the resulting equations for pressure and chemical potential were derived. Vapor-liquid equilibria for binary mixtures of organic acids, alcohol, water and alkanes were calculated using the model. The results were found satisfactory for most systems when compared with experimental data.

KW - Association

KW - Dimer

KW - Equation of state

KW - Mixtures

KW - Vapor-liquid equilibria

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JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

ER -

Extended hydrogen-bonding lattice fluid theory for dimers and n-mers

Abstract

Keywords

ASJC Scopus subject areas

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