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A Molecular Analysis of Critical Factors for Interface and Size Effects on Heat Conduction in nanoconfined Water Film

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Journal of Thermal Science 2022年第4期31卷 1155-1166页

作者： JIN Lu ZHOU Leping DU Xiaoze Key Laboratory of Power Station Energy Transfer Conversion and System Ministry of Education School of Energy Power and Mechanical EngineeringNorth China Electric Power UniversityBeijing 102206China

Heat conduction of nanoconfined liquid may differ from its bulk because of the effects of size,geometry,interface,temperature,*** this study,the roles of some critical factors for the heat conduction of nanoconfined water film are systematically analyzed by using the molecular dynamics *** decreasing thickness,the normal thermal conductivity of nanoconfined water film between two copper plates decreases exponentially,while the thermal resistance,peak of the radial distribution function,and atomistic heat path increase *** average bond order,radial distribution function,mean squared displacement,and vibrational density of states are calculated to analyze the effects of structure,distribution,molecular diffusion,and vibration of water molecules on heat conduction especially in a region having no oxygen atoms(which is observed by the near-wall density profile).The results show that phonon scattering is dominant for determining the reduced thermal conductivity in this near-wall *** thermal conductivity ratio of confined water film to bulk water has a roughly linear relationship with the logarithm of the proportion of the near-wall ***,the high interfacial thermal resistance is positively correlated to the film thickness,but it has a negligible impact on heat *** work provides insights into the contribution of water molecules near the solid/liquid interface to the heat conduction of nanoconfined liquid for process intensification.

关键词： near-wall region molecular dynamics study thermal conductivity interfacial thermal resistance nanoconfined liquid

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