Új Monte Carlo szimulációs módszerek Gibbs-sokaságon egykomponensu fluidumok goz-folyadék egyensúlyának meghatározására

Translated title of the contribution: New Gibbs ensemble Monte Carlo simulation methods for the determination of the vapour-liquid equilibria of pure fluids

Research output: Contribution to journalArticle

Abstract

Two new versions (NpH and μVL) of the Gibbs ensemble Monte Carlo simulation for pure fluids are suggested. These schemes allow the exchange of heat between the correlated subsystems. In the determination of the vapour-liquid coexistence the capabilities of the new algorithms are similar to that of the conventional (NVT) method, however, the NpH version shows some advantages over the others.

Original languageHungarian
Pages (from-to)540-547
Number of pages8
JournalMagyar Kemiai Folyoirat, Kemiai Kozlemenyek
Volume103
Issue number11
Publication statusPublished - Nov 1 1997

    Fingerprint

ASJC Scopus subject areas

  • Chemistry(all)

Cite this