IMPROVED PERTURBATION-THEORY OF KIHARA FLUIDS

An accurate perturbation theory for Kihara fluids is proposed. For several molecular models, agreement between calculated pressures and internal energies and their values from simulation is found to be good. The theory is not restricted to a given geometry and can be applied to any Kihara molecular fluid, even when the anisotropy of the molecule is high. Quality of the results is comparable to that obtained by perturbation theories for spherical models. The calculations can be carried out with a personal computer so that the theory can be useful for practical applications.