T0501-1-5 ポリマー液体の熱輸送特性に及ぼす分子内エネルギー伝搬の影響(マイクロ・ナノスケールの熱流体現象(1))

概要

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Molecular dynamics simulations have been performed to investigate the effects of intramolecular energy transfer on heat conduction characteristics in bulk liquids of n-alkanes with several chain lengths. A simulation system which consists of a rectangular basic cell, where the periodic boundary condition is applied in all directions, is filled with n-alkane molecules. Artificially 'hot' and 'cold' slabs are placed at the middle and at both sides of the cell to generate constant heat energy flux in the system. Contributions of molecular motion and molecular interaction to thermal energy flux are measured in detail by applying a mathematical expression for thermal energy flux in molecular dynamic system which is extended to many-body potentials. The results show that the contribution of intramolecular energy transfer to the total thermal energy flux in n-alkane liquids increases with the extension of the molecular length when compared at the same reduced temperature and the saturation densities.
一般社団法人日本機械学会の論文
2009-09-12