Renormalization group corrections to the modified perturbed hard sphere chain equation of state for vapor liquid equilibria and interfacial tension of pure and binary mixtures

Ji Su Choi, Young Chan Bae

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2 Citations (Scopus)

Abstract

The interfacial tensions of pure fluids and binary fluid mixtures are described following an investigation of phase behavior. A modified version of the perturbed hard sphere chain (PHSC) equation of state (PHSC-CL EOS) is developed by applying the chain length dependence contribution to the PHSC EOS. The density gradient theory (DGT) is combined with the proposed model to account for both the phase equilibria and the interfacial tension. The influence parameter, the only input of the DGT with EOS to calculate the interfacial tension of the fluid, is considered an adjustable parameter for each fluid. The PHSC-CL EOS accurately describes the vapor liquid equilibria (VLE) and interfacial tensions of fluids away from the critical region. It is combined with a renormalization group theory to consider the contribution of long range fluctuations in the near critical region. The calculation procedure is based on White's work and the phase space cell approximation is adopted for mixtures. The VLE and interfacial tensions are obtained with good agreement to experimental data for linear alkanes, cyclo hexane, benzene, toluene, carbon dioxide, and their binary mixtures.

Original languageEnglish
Pages (from-to)143-155
Number of pages13
JournalFluid Phase Equilibria
Volume430
DOIs
StatePublished - 2016 Dec 25

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liquid-vapor equilibrium
Binary mixtures
Equations of state
Phase equilibria
binary mixtures
Surface tension
interfacial tension
equations of state
Fluids
fluids
Group theory
binary fluids
gradients
Alkanes
group theory
Toluene
Phase behavior
Cyclohexane
Benzene
Chain length

Keywords

  • Density gradient theory
  • Interfacial tension
  • Renormalization group theory
  • Vapor-liquid equilibria

Cite this

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title = "Renormalization group corrections to the modified perturbed hard sphere chain equation of state for vapor liquid equilibria and interfacial tension of pure and binary mixtures",
abstract = "The interfacial tensions of pure fluids and binary fluid mixtures are described following an investigation of phase behavior. A modified version of the perturbed hard sphere chain (PHSC) equation of state (PHSC-CL EOS) is developed by applying the chain length dependence contribution to the PHSC EOS. The density gradient theory (DGT) is combined with the proposed model to account for both the phase equilibria and the interfacial tension. The influence parameter, the only input of the DGT with EOS to calculate the interfacial tension of the fluid, is considered an adjustable parameter for each fluid. The PHSC-CL EOS accurately describes the vapor liquid equilibria (VLE) and interfacial tensions of fluids away from the critical region. It is combined with a renormalization group theory to consider the contribution of long range fluctuations in the near critical region. The calculation procedure is based on White's work and the phase space cell approximation is adopted for mixtures. The VLE and interfacial tensions are obtained with good agreement to experimental data for linear alkanes, cyclo hexane, benzene, toluene, carbon dioxide, and their binary mixtures.",
keywords = "Density gradient theory, Interfacial tension, Renormalization group theory, Vapor-liquid equilibria",
author = "Choi, {Ji Su} and Bae, {Young Chan}",
year = "2016",
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AU - Choi, Ji Su

AU - Bae, Young Chan

PY - 2016/12/25

Y1 - 2016/12/25

N2 - The interfacial tensions of pure fluids and binary fluid mixtures are described following an investigation of phase behavior. A modified version of the perturbed hard sphere chain (PHSC) equation of state (PHSC-CL EOS) is developed by applying the chain length dependence contribution to the PHSC EOS. The density gradient theory (DGT) is combined with the proposed model to account for both the phase equilibria and the interfacial tension. The influence parameter, the only input of the DGT with EOS to calculate the interfacial tension of the fluid, is considered an adjustable parameter for each fluid. The PHSC-CL EOS accurately describes the vapor liquid equilibria (VLE) and interfacial tensions of fluids away from the critical region. It is combined with a renormalization group theory to consider the contribution of long range fluctuations in the near critical region. The calculation procedure is based on White's work and the phase space cell approximation is adopted for mixtures. The VLE and interfacial tensions are obtained with good agreement to experimental data for linear alkanes, cyclo hexane, benzene, toluene, carbon dioxide, and their binary mixtures.

AB - The interfacial tensions of pure fluids and binary fluid mixtures are described following an investigation of phase behavior. A modified version of the perturbed hard sphere chain (PHSC) equation of state (PHSC-CL EOS) is developed by applying the chain length dependence contribution to the PHSC EOS. The density gradient theory (DGT) is combined with the proposed model to account for both the phase equilibria and the interfacial tension. The influence parameter, the only input of the DGT with EOS to calculate the interfacial tension of the fluid, is considered an adjustable parameter for each fluid. The PHSC-CL EOS accurately describes the vapor liquid equilibria (VLE) and interfacial tensions of fluids away from the critical region. It is combined with a renormalization group theory to consider the contribution of long range fluctuations in the near critical region. The calculation procedure is based on White's work and the phase space cell approximation is adopted for mixtures. The VLE and interfacial tensions are obtained with good agreement to experimental data for linear alkanes, cyclo hexane, benzene, toluene, carbon dioxide, and their binary mixtures.

KW - Density gradient theory

KW - Interfacial tension

KW - Renormalization group theory

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