自己組織化単分子膜の水溶媒界面における熱輸送特性(分子スケール(3),一般講演)

概要

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Molecular dynamics simulations of the interface of self-assembled monolayer (SAM) with two kinds of terminal group and water were performed in order to investigate heat transfer characteristics over the SAM interfaces. Particularly, thermal boundary conductance (TBC) at these interfaces was evaluated and the effect of hydrophobic/hydrophilic property of SAM terminal was discussed. As a result, it was found that the local TBC at the hydroxyl-terminated SAM interface is an order of magnitude larger than that at the methyl-terminated SAM interface. In order to elucidate the reason for this large TBC, components contributing to thermal energy flux across the interface were evaluated in detail, i.e., the total thermal energy flux is decomposed into the contribution of molecular transport and that of energy exchange by molecular interactions.
2010-09-09