分子動力学法による二原子分子液体の熱伝導率の検討(熱工学,内燃機関,動力など)

概要

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In this paper the effect of molecular structure on thermal conductivity of diatomic liquid is analyzed by the Molecular Dynamics (MD) Method. Five liquids such as O_2, CO, CS_2, Cl_2 and Br_2 are assumed and 2 center Lennard-Jones (2 CLJ) potential is used for these molecules. First, simulations are performed at various combinations of density and temperature and Equation of State (EOS) of each liquid is obtained by using these results. Using the equations critical temperature and density of each liquid is obtained. Thermal conductivities of these liquids at the corresponding state based on each critical temperature and density (T=0.7T_<cr> and ρ=2.24ρ_<cr>) are simulated and the results are compared with experimental results. Moreover, these results are reduced based on m, ρ_<cr> and T_<cr> and compared with each other. The reduced thermal conductivity increases as the elongation of molecule increases.
社団法人日本機械学会の論文
2003-07-25