An Equation of State for the Hard-Sphere Chain Fluid Based on the Thermodynamic Perturbation Theory of Sequential Polymerization

M. S. Yeom; J. Chang; H. Kim

doi:10.1023/A:1013953026815

An Equation of State for the Hard-Sphere Chain Fluid Based on the Thermodynamic Perturbation Theory of Sequential Polymerization

M. S. Yeom, J. Chang, H. Kim

Department of Chemical Engineering

Seoul National University

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

1 Scopus citations

Abstract

New equations of state for freely jointed hard-sphere chain fluids are developed. The equations of state are based on the thermodynamic perturbation theory. The new equations of state use the contact values of the radial distribution function (RDF) for monomer-dimer mixtures, which is derived from the multidensity Ornstein-Zernike theory. These RDFs are composed of a monomer reference term, the Carnahan-Starling or the Percus-Yevick expression, and an additional bond contribution. These equations of state are then extended to real fluids. To calculate the phase equilibrium properties of nonassociating chain fluids, a dispersion contribution is added to the repulsive hard-chain reference term. With the new equations of state of chain fluids supplemented with the dispersion term, the vapor pressures and the coexisting densities of several real fluids are calculated.

Original language	English
Article number	364808
Pages (from-to)	135-143
Number of pages	9
Journal	International Journal of Thermophysics
Volume	23
Issue number	1
DOIs	https://doi.org/10.1023/A:1013953026815
State	Published - 2002

Keywords

Equation of state
Hard-sphere chain fluid
Integral equation theory
Perturbation theory
Statistical associating fluid theory
Thermodynamic perturbation theory

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10.1023/A:1013953026815

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title = "An Equation of State for the Hard-Sphere Chain Fluid Based on the Thermodynamic Perturbation Theory of Sequential Polymerization",

abstract = "New equations of state for freely jointed hard-sphere chain fluids are developed. The equations of state are based on the thermodynamic perturbation theory. The new equations of state use the contact values of the radial distribution function (RDF) for monomer-dimer mixtures, which is derived from the multidensity Ornstein-Zernike theory. These RDFs are composed of a monomer reference term, the Carnahan-Starling or the Percus-Yevick expression, and an additional bond contribution. These equations of state are then extended to real fluids. To calculate the phase equilibrium properties of nonassociating chain fluids, a dispersion contribution is added to the repulsive hard-chain reference term. With the new equations of state of chain fluids supplemented with the dispersion term, the vapor pressures and the coexisting densities of several real fluids are calculated.",

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AU - Chang, J.

AU - Kim, H.

PY - 2002

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N2 - New equations of state for freely jointed hard-sphere chain fluids are developed. The equations of state are based on the thermodynamic perturbation theory. The new equations of state use the contact values of the radial distribution function (RDF) for monomer-dimer mixtures, which is derived from the multidensity Ornstein-Zernike theory. These RDFs are composed of a monomer reference term, the Carnahan-Starling or the Percus-Yevick expression, and an additional bond contribution. These equations of state are then extended to real fluids. To calculate the phase equilibrium properties of nonassociating chain fluids, a dispersion contribution is added to the repulsive hard-chain reference term. With the new equations of state of chain fluids supplemented with the dispersion term, the vapor pressures and the coexisting densities of several real fluids are calculated.

AB - New equations of state for freely jointed hard-sphere chain fluids are developed. The equations of state are based on the thermodynamic perturbation theory. The new equations of state use the contact values of the radial distribution function (RDF) for monomer-dimer mixtures, which is derived from the multidensity Ornstein-Zernike theory. These RDFs are composed of a monomer reference term, the Carnahan-Starling or the Percus-Yevick expression, and an additional bond contribution. These equations of state are then extended to real fluids. To calculate the phase equilibrium properties of nonassociating chain fluids, a dispersion contribution is added to the repulsive hard-chain reference term. With the new equations of state of chain fluids supplemented with the dispersion term, the vapor pressures and the coexisting densities of several real fluids are calculated.

KW - Equation of state

KW - Hard-sphere chain fluid

KW - Integral equation theory

KW - Perturbation theory

KW - Statistical associating fluid theory

KW - Thermodynamic perturbation theory

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An Equation of State for the Hard-Sphere Chain Fluid Based on the Thermodynamic Perturbation Theory of Sequential Polymerization

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