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

Hiroshi Inomata, Norihiko Nakabayashi, Shozaburo Saito

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)13-20
Number of pages8
JournalFluid Phase Equilibria
Volume125
Issue number1-2
DOIs
Publication statusPublished - 1996 Oct 15

Keywords

  • Lennard-Jones potential
  • Local composition model
  • Phase equilibria

ASJC Scopus subject areas

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

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