Title of article :
On the determination of the vapor–liquid envelope for polarizable models by Monte Carlo simulation
Author/Authors :
P?edota، نويسنده , , Milan and Chialvo، نويسنده , , Ariel A. and Cummings، نويسنده , , Peter T.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2001
Abstract :
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.
Keywords :
Polarizable model , Gibbs ensemble , Vapor–liquid equilibria , Monte Carlo simulation
Journal title :
Fluid Phase Equilibria
Journal title :
Fluid Phase Equilibria