The Proceedings of Mechanical Engineering Congress, Japan
Online ISSN : 2424-2667
ISSN-L : 2424-2667
2015
Session ID : J0540306
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J0540306 Molecular Dynamics Study of Thermodynamic Pressure Evaluated by the Virial Theorem
Takuya MIYAZAWAYoungmin KIMNobuyuki OSHIMAHisao YAGUCHI
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CONFERENCE PROCEEDINGS FREE ACCESS

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Abstract
In this paper, pressure is calculated by the virial theorem in molecular dynamics. This research aims establishing a method to calculate thermodynamic pressure and verifying molecular dynamics and experiment. A system of argon vapor-liquid equilibrium is the object of this paper. Pressure calculated with the virial equation state in vapor phase of argon vapor-liquid equilibrium system agrees vapor pressure of experimental values. Calculated pressure of vapor system, same number density to vapor phase of vapor-liquid equilibrium system, agrees vapor pressure. Calculated pressure of liquid system have large difference between those values, however, it is expected the difference is smaller by increasing sampling number.
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© 2015 The Japan Society of Mechanical Engineers
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