Fluid Phase Equilibria, Vol.183-184, 295-300, 2001
On the determination of the vapor-liquid envelope for polarizable models by Monte Carlo simulation
We present Gibbs ensemble Monte Carlo (GEMC) simulations of SCPDP polarizable model for water. Our results seem to be more consistent and accurate than the literature data. Our simulations suggest that GEMC of polarizable models with exact treatment of the polarizable interactions is feasible, though its efficiency is rather low. The application of a newly proposed approximate method to treat the polarizable interactions in Monte Carlo is expected to remedy this deficiency.