VAPOR-LIQUID-EQUILIBRIUM OF ARGON - SIMULATION WITH NONADDITIVE POTENTIALS

Authors
RODRIGUES SPJ FERNANDES FMSS
Citation
Spj. Rodrigues et Fmss. Fernandes, VAPOR-LIQUID-EQUILIBRIUM OF ARGON - SIMULATION WITH NONADDITIVE POTENTIALS, Journal of physical chemistry, 98(14), 1994, pp. 3917-3920
Citations number
46
Categorie Soggetti
Chemistry Physical
Journal title
Journal of physical chemistry → ACNP
ISSN journal
00223654
Volume
98
Issue
14
Year of publication
1994
Pages
3917 - 3920
Database
ISI
SICI code
0022-3654(1994)98:14<3917:VOA-SW>2.0.ZU;2-W
Abstract
A realistic nonadditive intermolecular potential (the EHFACE2 pair pot ential plus the ATM three-body potential) has been used with the Gibbs ensemble Monte Carlo method to calculate the vapor-liquid coexistence properties of argon. The critical properties were estimated by fittin g the results to the laws of rectilinear diameters and order parameter scaling. The overall agreement of the coexistence and critical proper ties with experiment is good.