The proceedings of the JSME annual meeting
Online ISSN : 2433-1325
2010.8
Session ID : T0501-2-5
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T0501-2-5 The Effect of Intermolecular Potential Model on Thermodynamic Properties of Cryogenic Hydrogen
Hiroki NAGASHIMA, Takashi TOKUMASU, Shinichi TSUDA, Nobuyuki TSUBOI, A.Koichi HAYASHI
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Keywords: Molecular Dynamics, Cryogenic Hydrogen, Thermodynamic Properties
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Abstract

In this paper, we investigated the effect of intermolecular potential model on thermodynamic properties of cryogenic hydrogen. We applied three empirical potential models and one ab-initio potential which was derived by Molecular Orbital (MO) calculation. We performed NVE constant Molecular Dynamics (MD) calculation to obtain Equation Of State (EOS). Calculation results were compared with NIST data using the principle of corresponding date. As a result, it was confirmed that every potential showed the same tendency and cannot reproduce NIST data at the high density region.

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© 2010 The Japan Society of Mechanical Engineers
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