The density profile and surface tension of a Lennard-Jones fluid from a generalized van der Waals theory

Abstract

We present results of calculations of the equilibrium density profile and surface tension for the liquid-vapour interface of a Lennard-Jones 12-6 fluid. These calculations are based on a ‘microscopic’ version of the van der Waals theory of the interface. At high temperatures our results are in fairly good agreement with those from computer simulations. Near the triple point, however, the calculated density profiles appear to be too broad and the corresponding surface tensions are about 50 per cent larger than the results of the simulations.