A new activity coefficient model

Simultaneous correlation of liquid-liquid equilibria for ternary systems and vapor-liquid equilibria for constitutive binary systems

研究成果: ジャーナルへの寄稿記事

2 引用 (Scopus)

抄録

A new activity coefficient model is proposed base on the regular solution theory and composition-dependent surface area parameters. Surface area parameters, which account for the number of interactions between molecules, may vary depending on partner molecules and the concentration of mixtures. Conventional models such as NRTL and UNIQUAC uses fixed number and they normally fail to describe vapor-liquid equilibria and liquid-liquid equilibria simultaneously. Composition-dependent surface area parameters were combined with interaction parameters to give four parameters for a binary mixture. The proposed model can successfully describe an exceptionally high value or convex behavior of activity coefficient in the dilute region. The proposed model also shows improved performances in correlating the liquid-liquid equilibria for ternary systems and the vapor-liquid equilibria for constituent binary systems with the same parameter sets.

元の言語英語
ページ(範囲)24-33
ページ数10
ジャーナルFluid Phase Equilibria
465
DOI
出版物ステータス出版済み - 4 15 2018

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Activity coefficients
liquid-vapor equilibrium
Ternary systems
ternary systems
Phase equilibria
Liquids
coefficients
liquids
Molecules
Binary mixtures
Chemical analysis
binary mixtures
molecules
interactions

All Science Journal Classification (ASJC) codes

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

これを引用

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title = "A new activity coefficient model: Simultaneous correlation of liquid-liquid equilibria for ternary systems and vapor-liquid equilibria for constitutive binary systems",
abstract = "A new activity coefficient model is proposed base on the regular solution theory and composition-dependent surface area parameters. Surface area parameters, which account for the number of interactions between molecules, may vary depending on partner molecules and the concentration of mixtures. Conventional models such as NRTL and UNIQUAC uses fixed number and they normally fail to describe vapor-liquid equilibria and liquid-liquid equilibria simultaneously. Composition-dependent surface area parameters were combined with interaction parameters to give four parameters for a binary mixture. The proposed model can successfully describe an exceptionally high value or convex behavior of activity coefficient in the dilute region. The proposed model also shows improved performances in correlating the liquid-liquid equilibria for ternary systems and the vapor-liquid equilibria for constituent binary systems with the same parameter sets.",
author = "Yoshio Iwai",
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AU - Iwai, Yoshio

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AB - A new activity coefficient model is proposed base on the regular solution theory and composition-dependent surface area parameters. Surface area parameters, which account for the number of interactions between molecules, may vary depending on partner molecules and the concentration of mixtures. Conventional models such as NRTL and UNIQUAC uses fixed number and they normally fail to describe vapor-liquid equilibria and liquid-liquid equilibria simultaneously. Composition-dependent surface area parameters were combined with interaction parameters to give four parameters for a binary mixture. The proposed model can successfully describe an exceptionally high value or convex behavior of activity coefficient in the dilute region. The proposed model also shows improved performances in correlating the liquid-liquid equilibria for ternary systems and the vapor-liquid equilibria for constituent binary systems with the same parameter sets.

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