화학공학소재연구정보센터
Fluid Phase Equilibria, Vol.116, No.1-2, 289-295, 1996
Monte-Carlo Simulation of Vapor-Liquid-Equilibria in Lennard-Jones Plus 3-Body Potential Binary-Fluid Mixtures
Gibbs-ensemble molecular simulations are reported for the vapour-liquid phase coexistence of a binary mixture characterised by an intermolecular potential which accounts for three-body interactions in addition to pairwise interactions. The simulations incorporate the influence of both three-body dispersion and three-body repulsion interactions. The effect of the non-additive Axilrod-Teller dispersion coefficient is investigated. It is concluded that the vapour-liquid coexistence of binary mixtures is unaffected by three-body interactions.