Modeling and simulation of equation of state for nonadditive hard disk mixtures

  • Mohammed Al-Naafa
  • , Jibril B. El-Yakubu
  • , Esam Z. Hamad*
  • *Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

Abstract

We present exact results for mixtures of nonadditive hard disks and use some of them to derive a consistent model for the equation of state. We also performed molecular dynamics simulation for hard disks over a wide range of size ratios. Comparison of the model to the data shows that the model is accurate for all densities in the case of additive and slightly nonadditive (nonadditivity parameter within ±0.1) mixtures. For large nonadditivity, the model is accurate for low to moderate densities only, and starts to deteriorate at high densities.

Original languageEnglish
Pages (from-to)33-47
Number of pages15
JournalFluid Phase Equilibria
Volume154
Issue number1
DOIs
StatePublished - 4 Jan 1999

Keywords

  • Equation of state
  • Hard disks
  • Mixture
  • Molecular simulation
  • Nonadditive

ASJC Scopus subject areas

  • General Chemical Engineering
  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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