DETERMINATION OF VAPOR-LIQUID-EQUILIBRIA OF 2-CENTER LENNARD-JONES FLUIDS IN THE CANONICAL ENSEMBLE

Vapour-liquid equilibrium data were determined for a two-centre Lennar d-Jones fluid with reduced bond length L = 0.505. The method used is based on the Taylor expansions of both the chemical potential and the pressure calculated by Monte Carlo simulation in the canonical ensembl e. New phase coexistence data were obtained at rather low temperatures applying an independent simulation method for the calculation of the chemical potential. Thermodynamic consistency of the vapour pressures as well as the saturated vapour and liquid densities was confirmed on the basis of the Clausius-Clapeyron equation.