A NEW COMPUTER-SIMULATION METHOD FOR THE DETERMINATION OF THE VAPOR-LIQUID PHASE-EQUILIBRIA IN AN ADIABATIC ENSEMBLE

A new simulation method is introduced for the determination of the vap our-liquid phase coexistence of pure fluids in an adiabatic ensemble. It is based on the Taylor expansion of the calculated temperature with respect to the independent intensive ensemble variables. It enables t he derivation of phase equilibrium data in a certain range of pressure from a pair of Rp mu ensemble Monte Carlo simulations (R = Ray energy ). The method is tested at a few points of state of the Lennard-Jones fluid.