APPLICATION OF A NEW GIBBS ENSEMBLE MONTE-CARLO METHOD TO SITE-SITE INTERACTION-MODEL FLUIDS

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.