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

被引：8
|
作者：
RODRIGUES, SPJ
FERNANDES, FMSS
机构：
[1] UNIV LISBON, FAC CIENCIAS, DEPT CHEM, P-1700 LISBON, PORTUGAL
[2] UNIV LISBON, FAC CIENCIAS, CECUL, P-1700 LISBON, PORTUGAL
来源：
JOURNAL OF PHYSICAL CHEMISTRY | 1994年 / 98卷 / 14期
关键词：
D O I：
10.1021/j100065a057
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A realistic nonadditive intermolecular potential (the EHFACE2 pair potential 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 fitting the results to the laws of rectilinear diameters and order parameter scaling. The overall agreement of the coexistence and critical properties with experiment is good.
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页码：3917 / 3920
页数：4
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