Effective intermolecular potential for fluid hydrogen sulfide

Research output: Contribution to journalArticle

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Abstract

A recently developed version of the Gibbs ensemble Monte Carlo technique is used for the determination of vapor-liquid equilibria of potential models for hydrogen sulfide. By fitting to experimental saturation properties of the substance, an optimized effective pair potential is parametrized on the basis of an existing four-site model of Lennard-Jones plus point charge type. The new model reproduces well also the critical properties and the structural characteristics of the substance.

Original languageEnglish
Pages (from-to)5480-5483
Number of pages4
JournalJournal of Physical Chemistry B
Volume101
Issue number28
Publication statusPublished - Jul 10 1997

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Hydrogen Sulfide
hydrogen sulfide
Hydrogen sulfide
Fluids
fluids
liquid-vapor equilibrium
Phase equilibria
saturation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Engineering(all)

Cite this

Effective intermolecular potential for fluid hydrogen sulfide. / Kristóf, T.; Liszi, J.

In: Journal of Physical Chemistry B, Vol. 101, No. 28, 10.07.1997, p. 5480-5483.

Research output: Contribution to journalArticle

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