Monte Carlo calculations of the equation of state of the square-well fluid as a function of well width

Abstract

Some results of Monte Carlo simulations for the square‐well fluid for 1.125?λ?2, where λ‐1 is the width of the well, are presented and compared with perturbation theory and, λ=1.85, with the BGY theory. In general, we find perturbation theory to be more reliable than the BGY theory. For λ≳1.5, perturbation theory is generally satisfactory. However, for λ<1.5, the pressures calculated from perturbation theory become less satisfactory as λ is decreased.