Computer simulation of condensed gas mixtures

Molecular dynamics simulations have been performed for an equimolar mixture of oxygen and nitrogen using a diatomic Lennard—Jones model potential to obtain excess enthalpy and volume and to study the effect of attractive forces on the microscopic structure in the liquid. Simulations have also been p...

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Bibliographic Details
Published inFluid phase equilibria Vol. 31; no. 3; pp. 221 - 231
Main Author Gupta, Sumnesh
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier B.V 1986
Elsevier Science
Subjects
Chemistry
Exact sciences and technology
General and physical chemistry
Liquid-liquid equilibria
Liquid-solid equilibria
Liquid-vapor equilibria
Others (including liquid-liquid-vapor equilibria)
Phase equilibria
Models
Gas phase
Phase equilibrium
Mixture
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Summary:Molecular dynamics simulations have been performed for an equimolar mixture of oxygen and nitrogen using a diatomic Lennard—Jones model potential to obtain excess enthalpy and volume and to study the effect of attractive forces on the microscopic structure in the liquid. Simulations have also been performed to study the effect of mixing rules on excess properties in equimolar binary mixtures of atomic and diatomic liquids and to test the existing perturbation theories.
ISSN:0378-3812
1879-0224
DOI:10.1016/0378-3812(86)87009-1