T. Kristof et J. Liszi, NEW GIBBS ENSEMBLE MONTE-CARLO SIMULATION METHODS FOR THE DETERMINATION OF THE VAPOR-LIQUID-EQUILIBRIA OF PURE FLUIDS, Magyar kemiai folyoirat, 103(11), 1997, pp. 540-547
Two new versions (NpH and mu VL) of the Gibbs ensemble Monte Carlo sim
ulation for pure fluids are suggested. These schemes allow the exchang
e of heat between the correlated subsystems. In the determination of t
he vapour-liquid coexistence the capabilities of the new algorithms ar
e similar to that of the conventional (NVT) method, however, the NpH v
ersion shows some advantages over the others.