Density functional theory for the freezing of Lennard-Jones binary mixtures

Abstract

The density functional theory of freezing is used to study the freezing of binary Lennard-Jones mixtures. The phase diagrams of several different Lennard-Jones systems are presented, including models of real binary mixtures of argon, krypton, and methane. The relative importance of size ratio and interaction energy are examined. Three generic types of phase diagram, found in real materials, are obtained. The phase diagram of the hard sphere binary mixture is also presented.