Application of a new Gibbs ensemble Monte Carlo method to site-site interaction model fluids

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

A new Gibbs ensemble Monte Carlo simulation method has been tested for rigid site–site interaction model fluids. In this method the total system is considered at constant enthalpy, pressure and number of particles. Vapour-liquid equilibrium data were determined for a potential model of liquid carbon disulphide and a potential model of liquid hydrogen sulphide. Conventional Gibbs ensemble Monte Carlo simulations were also carried out for comparison. The two methods yielded essentially the same results, but the new scheme showed some advantages.

Original languageEnglish
Pages (from-to)1031-1034
Number of pages4
JournalMolecular Physics
Volume90
Issue number6
DOIs
Publication statusPublished - Apr 1 1997

ASJC Scopus subject areas

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Application of a new Gibbs ensemble Monte Carlo method to site-site interaction model fluids'. Together they form a unique fingerprint.

  • Cite this