화학공학소재연구정보센터
Journal of Physical Chemistry, Vol.98, No.14, 3917-3920, 1994
Vapor-Liquid-Equilibrium of Argon - Simulation with Nonadditive Potentials
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.