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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 33, Number 1
BKCSDE 33(1)
January 20, 2012 

 
Title
Vapor-liquid Interface of Argon by Using a Test-area Simulation Method
Author
Song Hi Lee
Keywords
Vapor-liquid interface, Test-area method, Surface tension, Molecular dynamics simulation
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.
Page
167 - 170
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