Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Vapor-liquid Interface of Argon by Using a Test-area Simulation Method

  • Lee, Song-Hi (Department of Chemistry, Kyungsung University)
  • Received : 2011.10.17
  • Accepted : 2011.11.17
  • Published : 2012.01.20
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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.

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