Tailoring the thermal conductivity of Poly(dimethylsiloxane)/Hexagonal boron nitride composite

被引:35
|
作者
Li, Ziwei [1 ]
Li, Ke [1 ]
Liu, Jun [1 ,2 ,3 ,4 ]
Hu, Shui [1 ,3 ]
Wen, Shipeng [1 ,2 ,3 ,4 ]
Liu, Li [1 ,2 ,3 ,4 ]
Zhang, Liqun [1 ,2 ,3 ,4 ,5 ]
机构
[1] Beijing Univ Chem Technol, Key Lab Beijing City Preparat & Proc Novel Polyme, Beijing, Peoples R China
[2] Beijing Univ Chem Technol, Beijing Engn Res Ctr Adv Elastomers, Beijing, Peoples R China
[3] Beijing Univ Chem Technol, Engn Res Ctr Elastomer Mat Energy Conservat & Res, Beijing, Peoples R China
[4] Beijing Univ Chem Technol, Beijing Adv Innovat Ctr Soft Matter Sci & Engn, Beijing 100029, Peoples R China
[5] Beijing Univ Chem Technol, State Key Lab Organ Inorgan Composites, Beijing 100029, Peoples R China
基金
中国国家自然科学基金;
关键词
Poly(dimethylsiloxane); Hexagonal boron nitride; Thermal conductivity; Molecular dynamics simulation; MOLECULAR-DYNAMICS SIMULATION; POLYVINYL-ALCOHOL COMPOSITES; POLYMER COMPOSITES; MULTILAYER GRAPHENE; FORCE-FIELD; NANOCOMPOSITES; FABRICATION; TRANSPORT; HYBRID; NANORIBBONS;
D O I
10.1016/j.polymer.2019.06.012
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
Molecular dynamics (MD) simulation was employed to predict the thermal conductivity of poly(dimethylsiloxane) (PDMS)/hexagonal boron (h-BN) composite. Two MD simulation models were constructed. Model one is h-BN monolayer being adsorbed by PDMS chains, which is designed to examine the influence mechanism of polymer molecules on the heat conduction of h-BN. The polymer molecules were divided into several layers along the normal direction of the h-BN, which had different impacts on the thermal conductivity of h-BN. Model two is PDMS composites with different volume fractions of h-BN monolayer, which is used to investigate the influence of h-BN on thermal conductivity of the composites. Meanwhile, the orientation of the h-BN under the oscillatory shear was also considered. It presents three regimes on the thermal conductivity increased with the packing fraction after shearing. In general, this work opens some insightful avenues for manipulating the thermal conductivity of PDMS/h-BN composite.
引用
收藏
页码:262 / 273
页数:12
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