On the determination of the vapor-liquid envelope for polarizable models by Monte Carlo simulation

Authors
Predota, M Chialvo, AA Cummings, PT
Citation
M. Predota et al., On the determination of the vapor-liquid envelope for polarizable models by Monte Carlo simulation, FLU PH EQUI, 183, 2001, pp. 295-300
Citations number
14
Categorie Soggetti
Physical Chemistry/Chemical Physics","Chemical Engineering
Journal title
FLUID PHASE EQUILIBRIA
ISSN journal
03783812 → ACNP
Volume
183
Year of publication
2001
Pages
295 - 300
Database
ISI
SICI code
0378-3812(20010701)183:<295:OTDOTV>2.0.ZU;2-7
Abstract
We present Gibbs ensemble Monte Carlo (GEMC) simulations of SCPDP polarizab le model for water. Our results seem to be more consistent and accurate tha n the literature data. Our simulations suggest that GEMC of polarizable mod els with exact treatment of the polarizable interactions is feasible, thoug h its efficiency is rather low. The application of a newly proposed approxi mate method to treat the polarizable interactions in Monte Carlo is expecte d to remedy this deficiency. (C) 2001 Elsevier Science B.V. All rights rese rved.