Perturbation theory for the free energy of two-center-Lennard-Jones liquids

Abstract

Recently a perturbation theory for molecular liquids using hard dumbbells as reference system was suggested by Kohler et al. Here, with a somewhat modified approach, it is shown that this type of perturbation theory yields a nearly accurate equation of state even for the most anisotropic two-center-Lennard-Jones molecules, for which simulation results have been reported. In addition to that, an investigation of the different approximations in this approach is given.