Two new versions (NpH and μVL) of the Gibbs ensemble Monte Carlo simulation for pure fluids are suggested. These schemes allow the exchange of heat between the correlated subsystems. In the determination of the vapour-liquid coexistence the capabilities of the new algorithms are similar to that of the conventional (NVT) method, however, the NpH version shows some advantages over the others.
|Translated title of the contribution||New Gibbs ensemble Monte Carlo simulation methods for the determination of the vapour-liquid equilibria of pure fluids|
|Number of pages||8|
|Journal||Magyar Kemiai Folyoirat, Kemiai Kozlemenyek|
|Publication status||Published - Nov 1 1997|
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