Excess energy and equation of state of fluids with hard-core potential models from a second-order Monte Carlo perturbation theory

Abstract

Monte Carlo simulations in the NVT ensemble of the reference hard-sphere fluid have been performed to obtain the “exact” first- and second-order terms in the inverse temperature expansion of the free energy of fluids with hard-core potentials. The results have been used to obtain parametrizations of the free energy of fluids with Sutherland potentials with variable range as well as for a fluid with a hard-core Lennard–Jones potential. The results for the excess energy and the equation of state are compared with simulation data available in the literature for these fluids.