Structure of molecular liquids: hard rod-disk mixtures

David Cheung, Lucian Anton, Michael P. Allen, Andrew J. Masters

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

The structure of hard rod-disk mixtures is studied using Monte Carlo simulations and integral equation theory, for a range of densities in the isotropic phase. By extension of methods used in single component fluids, the pair correlation functions of the molecules are calculated and comparisons between simulation and integral equation theory, using a number of different closure relations, are made. Comparison is also made for thermodynamic data and phase behavior.
Original languageEnglish
Article number011202
Number of pages8
JournalPhysical Review E: Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
Volume77
Issue number1
Publication statusPublished - Jan 2008

Keywords

  • theory
  • phase behavior
  • molecular liquid
  • hard
  • equation theory
  • integral equation
  • mixture
  • liquid
  • structure
  • equation
  • simulation
  • isotropic phase
  • integral
  • pair correlation
  • molecular

Cite this