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
Publication statusPublished - Apr 20 1997

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Monte Carlo Method
Monte Carlo method
Monte Carlo methods
Carbon Disulfide
Hydrogen Sulfide
Fluids
fluids
carbon disulfide
liquid hydrogen
hydrogen sulfide
liquid-vapor equilibrium
Liquids
interactions
Pressure
Phase equilibria
Enthalpy
simulation
enthalpy
liquids
Monte Carlo simulation

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Application of a new Gibbs ensemble Monte Carlo method to site - Site interaction model fluids. / Kristóf, T.; Liszi, J.

In: Molecular Physics, Vol. 90, No. 6, 20.04.1997, p. 1031-1034.

Research output: Contribution to journalArticle

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