Vapour‐Liquid Equilibria of Square‐Well Fluids of Variable Width by Barker‐Henderson Perturbation Theory I

Abstract

AbstractVapour‐liquid equilibria of square‐well fluids of variable width (λ = 1.375, 1.5, 1.75 and 2.0) were studied based on the Barker‐Henderson perturbation theory. Orthobaric densities, vapour pressures and heats of vaporization were calculated with local and macroscopic compressibility approximation. Comparison of the results with those of McLure and et al. [J. Chem. Phys. 96, 2296 (1992)] obtained with Monte Carlo simulation on Gibbs ensemble showed good agreement, except for results obtained close to the critical temperatures.