T. Kristof et J. Liszi, APPLICATION OF A NEW GIBBS ENSEMBLE MONTE-CARLO METHOD TO SITE-SITE INTERACTION-MODEL FLUIDS, Molecular physics, 90(6), 1997, pp. 1031-1034
A new Gibbs ensemble Monte Carlo simulation method has been tested for
rigid site-site interaction model fluids. In this method the total sy
stem is considered at constant enthalpy, pressure and number of partic
les. Vapour-liquid equilibrium data were determined for a potential mo
del of liquid carbon disulphide and a potential model of liquid hydrog
en sulphide. Conventional Gibbs ensemble Monte Carlo simulations were
also carried out for comparison. The two methods yielded essentially t
he same results, but the new scheme showed some advantages.