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Pressure Analyses at the Planar Surface of Liquid-Vapor Argon by a Test-Area Molecular Dynamics Simulation
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  • Pressure Analyses at the Planar Surface of Liquid-Vapor Argon by a Test-Area Molecular Dynamics Simulation
  • Pressure Analyses at the Planar Surface of Liquid-Vapor Argon by a Test-Area Molecular Dynamics Simulation
저자명
Lee. Song-Hi
간행물명
Bulletin of the Korean Chemical Society
권/호정보
2012년|33권 9호|pp.3039-3042 (4 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

Pressure tensors at the planar surface of liquid-vapor argon are evaluated from the virial theorem, Irving-Kirkwood, and Harasima versions using a test-area molecular dynamics simulation method through a Lennard-Jones intermolecular potential at two temperatures. We found that the normal and transverse components of the pressure tensor, $p_N(z)$ and $p_T(z)$, obtained from the virial theorem and Harasima version are essentially the same. The normal component of the pressure tensor from Irving-Kirkwood version, $p_N^{IK}(z)$, is shown to be a nearly constant at the lower temperature, independent of z, as agreed in a previous study, but not for $p_N^H$(z), while the transverse components, $p_T^{IK}(z)$ and $p_T^H(z)$, are almost the same. The values of surface tension for both versions computed from $p_N(z)-p_T(z)$ are also the same and are fully consistent with the experimental data.