Monte Carlo and Perturbation Calculations for a Triangular Well Fluid

Abstract

Monte Carlo data have been generated for a simple model fluid consisting of hard spheres with an attractive triangular well potential. The ranges spanned by the temperature and density are as follows. [Formula: see text] and [Formula: see text]. The machine data have been compared to the modern perturbation theories of (i) Barker, Henderson, and Smith and (ii) Weeks, Chandler, and Andersen. Comparison with the machine data shows that the latter theory is successful in the high density region only, but over a wide range of temperature. The Barker–Henderson approach is best in the low density region but the use of the superposition approximation limits the utility of this theory at high densities.