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http://dx.doi.org/10.5012/bkcs.2012.33.1.167

Vapor-liquid Interface of Argon by Using a Test-area Simulation Method  

Lee, Song-Hi (Department of Chemistry, Kyungsung University)
Publication Information
Bulletin of the Korean Chemical Society / v.33, no.1, 2012 , pp. 167-170 More about this Journal
Abstract
A test-area molecular dynamics simulation method for the vapor-liquid interface of argon through a Lennard-Jones intermolecular potential is presented in this paper as a primary study of interfacial systems. We found that the calculated density profile along the z-direction normal to the interface is not changed with time after equilibration and that the values of surface tension computed from this test-area method are fully consistent with the experimental data. We compared the thermodynamic properties of vapor argon, liquid argon, and argon in the vapor-liquid interface. Comparisons are made with kinetic and potential energies, diffusion coefficient, and viscosity.
Keywords
Vapor-liquid interface; Test-area method; Surface tension; Molecular dynamics simulation;
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