Phase equilibrium calculation with a local composition model based on Lennard-Jones potential

Hiroshi Inomata, Norihiko Nakabayashi, Shozaburo Saito

研究成果: Article査読

2 被引用数 (Scopus)

抄録

A new density-dependent local composition model was derived for calculating phase equilibria of supercritical fluid mixtures. In the model, the probability of finding j-molecules about an i-molecule is given by a Wilson type equation in which the j-i interaction is represented by a Lennard-Jones (LJ) potential. The local composition in both nearest and second-nearest neighbors was considered for developing an equation of state for mixtures from two-fluid theory. Phase equilibrium calculations with the new model were performed for representative argon-hydrocarbon, hydrocarbon-hydrocarbon and CO2-alcohol binary mixtures. Accurate prediction could be obtained for the systems whose components are well known to be LJ fluids.

本文言語English
ページ(範囲)13-20
ページ数8
ジャーナルFluid Phase Equilibria
125
1-2
DOI
出版ステータスPublished - 1996 10 15

ASJC Scopus subject areas

  • 化学工学(全般)
  • 物理学および天文学(全般)
  • 物理化学および理論化学

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