ALTERNATIVE IMPLEMENTATIONS OF THE GIBBS ENSEMBLE MONTE-CARLO CALCULATION

Two new versions (NpH and mu VL) of the Gibbs ensemble Monte Carlo sim ulation for pure fluids are suggested. These procedures allow the chan ge of heat between the correlated subsystems. In the determination of the vapour-liquid coexistence, the capability of the new algorithms is similar to that of the original (NVT) method, however, in the determi nation of the vapour pressure curves, the NpH version has some advanta ge over the others.