Alternative implementations of the Gibbs ensemble Monte Carlo calculation

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

Two new versions (NpH and μVL) of the Gibbs ensemble Monte Carlo simulation for pure fluids are suggested. These procedures allow the change of heat between the correlated subsystems. In the determination of the vapour-liquid coexistence, the capability of the new algorithms is similar to that of the original (NVT) method, however, in the determination of the vapour pressure curves, the NpH version has some advantage over the others.

Original languageEnglish
Pages (from-to)620-624
Number of pages5
JournalChemical Physics Letters
Volume261
Issue number6
DOIs
Publication statusPublished - Nov 1 1996

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Vapor pressure
Vapors
Fluids
Liquids
vapor pressure
vapors
heat
fluids
curves
liquids
simulation
Monte Carlo simulation
Hot Temperature

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Alternative implementations of the Gibbs ensemble Monte Carlo calculation. / Kristóf, T.; Liszi, J.

In: Chemical Physics Letters, Vol. 261, No. 6, 01.11.1996, p. 620-624.

Research output: Contribution to journalArticle

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