Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767

This article has now been updated. Please use the final version.

Thermodynamics of 3-Phase Equilibrium in Argon Based on a Perfect Solid and Liquid
Yosuke KATAOKAYuri YAMADA
Author information
JOURNAL OPEN ACCESS Advance online publication

Article ID: 2011-0030

Details
Abstract
Three-phase equilibrium in argon was obtained based on the thermodynamics of a perfect solid and liquid. The equation of state (EOS) for a perfect solid was previously obtained from the study of a pure substance with spherical molecules. The EOS for a perfect liquid is a van der Waals EOS with suitable coefficients to explain 3-phase equilibrium. The Lennard-Jones parameters for argon are applied to these EOSs. Thep-V-Trelations on the equilibrium lines are comparable with experimental and molecular simulation results. The calculated values of the average potential energy and entropy are also consistent with the simulations.
Content from these authors
© Society of Computer Chemistry, Japan
feedback
Top