B214 親水性および疎水性末端基を持つSAM-溶媒界面の熱輸送特性(OS-4:マイクロ・ナノ熱工学(III))

概要

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In this paper, we investigated the heat transfer characteristics over the interface of self-assembled monolayers (SAMs) and water solvent by using molecular dynamics simulations. Two types of SAM terminal groups, i.e., methyl (CH_3-) and hydroxyl (OH-) which have a hydrophobic and hydrophilic property, respectively, were applied to elucidate the effect of the affinity between the SAM and solvent. By nonequilibrium molecular dynamics simulations, a constant heat flux was imposed across the SAM interface and the resultant temperature distribution was obtained. Thereby, thermal boundary conductances (TBC) were evaluated at the both SAM interfaces. The result demonstrated that the TBC at the OH-terminated SAM interface is one order of magnitude larger than that at the methyl-terminated SAM interface.
2010-10-29