Phase equilibria of binary mixtures by molecular simulation and cubic equations of state

Molecular simulation data were used to study the performance of equations o f state (EoS) and combining rules usually employed in thermodynamic propert y calculations. The Monte Carlo method and the Gibbs ensemble technique wer e used for determining composition and densities of vapor and liquid phases in equilibrium for binary mixtures of Lennard-Jones fluids. Simulation res ults are compared to data in the literature and to those calculated by the t-PR-LJ EoS. The use of adequate combining rules has been shown to be very important for the satisfactory representation of molecular simulation data.