Prediction of the Latent Heat of n-Alkanes Using the Molecular Dynamics Method

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概要

• 論文の詳細を見る

• With the ultimate goal of developing thermal storage materials by means of computer simulation, we attempt to predict a material's melting point and latent heat of fusion, both of which are important properties for evaluating a thermal storage material. Molecular dynamics calculations using the NPT ensemble were performed to investigate the melting process of n-alkanes having carbon numbers of 8 to 18. A technique for determining the melting point from a radial distribution function that reflects the arrangement of carbon atoms has already been reported. Based on our previous study, we attempted to predict the latent heat of fusion from the internal energy. A calculation method that reflects the actual melting phenomenon was used and a precise value for the qualitative tendency of the latent heat was obtained.

• Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
• 2003-10-15

著者

• Hasegawa Hiromi

  Central Research Institute of Electric Power Industry, 2-6-1 Nagasaka, Yokosuka, Kanagawa 240-0196, Japan

• Iwatsubo Tetsushirou

  Central Research Institute of Electric Power Industry, 2-6-1 Nagasaka, Yokosuka, Kanagawa 240-0196, Japan

• Tsuchiya Yooko

  Central Research Institute of Electric Power Industry, 2-6-1 Nagasaka, Yokosuka, Kanagawa 240-0196, Japan

関連論文

• Prediction of the Latent Heat of n-Alkanes Using the Molecular Dynamics Method

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