Monte carlo and perturbation theory studies of the equation of state of the two-dimensional lennard-jones fluid

Abstract

Monte Carlo values for the equation of state of the two-dimensional Lennard-Jones fluid are reported. The agreement with previous simulations is good, with the exception of the critical point region. However, the estimates of the critical temperature and density given here are lower than those previously reported. The first and second-order Barker-Henderson and first-orderWeeks-Chandler-Andersen perturbation theories are applied to this system and are found to be satisfactory only at high densities. A semiempirical correction term to the second-order Barker-Henderson theory is constructed. The resulting parameterization of the Monte Carlo data is found to be accurate and useful at all densities and temperatures for which the Monte Carlo data exist. © 1977 Taylor and Francis Group, LLC.