二原子分子流体の熱物性に関する分子動力学的研究 : 分子の回転自由度の物性に及ぼす影響(熱工学,内燃機関,動力など)

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In this paper the effect of rotational degree of freedom on the properties of liquid is analyzed by the Molecular Dynamics (MD) Method. Oxygen is assumed as the liquid and molecules are assumed as both monatomic and diatomic one. Lennard-Jones (LJ) potential is used as the intermolecular potential for monatomic molecule and 2 center Lennard-Jones (2CLJ) potential is assumed for diatomic molecules. Simulations are performed at various combinations of density and temperature and an Equation of State (EOS) of each liquid is obtained by using these results. The parameters of each potential are determined so that the critical temperature and density are consistent with each other. The properties of liquid such as spinodal line, latent heat, specific heat, thermal conductivity and surface tension are compared with each other and the effect of rotational degree of freedom on the properties of liquid is investigated.
社団法人日本機械学会の論文
2002-04-25