Effect of Chain Configuration on Thermal Conductivity of Polyethylene-A Molecular Dynamic Simulation Study

查看全文 作　　者：Xiang [1]Zhang;Yu [1]Wang;Ru [1]Xi;Bin [1]Wu;Peng [1]Chen;Jia Sheng [1]Qian;Hao-Jun [2]Liang

机构地区：[1]Anhui Province Key Laboratony of Environment friendly Polymer Materials,SchoolofChemistry and Chemical Engineering,Anhui Universit,Hefei 230601,China;[2]Department of Polymer Science and Technology,University of Science and Technology of China,Hefei 230011,China

出　　处：《Chinese Journal of Polymer Science》索引2020年第38卷第12期,共8页

基　　金：supported by the National Key R&D Program of China(No.2017YFB0406204);the National Natural Science Foundation of China(No.51973002);University Institution of High Performance Rubber Materials of Anhui Province. 摘　　要：Stretched polyethylene(PE)fibers are found to have super high thermal conductivity,while the bulk of polyethylene is usually thermal insulating even for those with high crystalline degree.A molecular dynamic simulation is deliberately carried out to examine the relationship between chain configuration and thermal conductivity of polyethylene.In this simulation study,independent and interacting PE chains being stretched are compared with the aim to find out the effect of stretching on thermal conductivity of PE.Various crystallization conditions for PE bulk are considered.It is found that heat transports predominately along the covalent chain rather than across chains in PE crystals.Our simulation study helps to understand experimental findings on thermal conductivity of PE at different states.W e also predict that amorphous PE may be super thermally conductive if chains are strictly stretched along heat flux. 关键词：Thermal conductivity Molecular dynamic simulation POLYETHYLENE Chain configuration

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Effect of Chain Configuration on Thermal Conductivity of Polyethylene-A Molecular Dynamic Simulation Study

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