Due to the high thermal conductivity, graphene could be used as a filler in matrix materials to improve the thermal performance. In this paper, the thermal conductivity and interfacial interaction of graphene/polyamide (GE/PA6), graphene/polypropylene (GE/PP) and graphene/high density polyethylene (GE/HDPE) composites with different graphene mass fractions were studied by melt-blending experiments and reverse non-equilibrium molecular dynamics. The results show that the filling of graphene effectively improves the thermal conductivity of the three polymers, and the comprehensive improvement effect is GE/PA6 > GE/PP > GE/HDPE. Simulation results show that the thermal conductivity of GE/PA6, GE/PP and GE/HDPE composites vary in the same trend as the experimental results. The interfacial thermal conductivity and interaction energy of the three composites are GE/PA6 > GE/PP > GE/HDPE. This study provides guidance for exploring the filling effect of graphene in polymer and preparing polymer materials with better thermal conductivity.

由于高导热率，石墨烯可用作基质材料中的填料，以改善热性能。本文通过熔融法研究了不同石墨烯质量分数的石墨烯/聚酰胺（GE / PA6），石墨烯/聚丙烯（GE / PP）和石墨烯/高密度聚乙烯（GE / HDPE）复合材料的热导率和界面相互作用。混合实验和反向非平衡分子动力学。结果表明，石墨烯的填充有效提高了这三种聚合物的导热系数，综合改善效果为GE / PA6> GE / PP> GE / HDPE。仿真结果表明，GE / PA6，GE / PP和GE / HDPE复合材料的导热系数与实验结果呈相同趋势。三种复合材料的界面导热系数和相互作用能分别为GE / PA6> GE / PP> GE / HDPE。该研究为探索石墨烯在聚合物中的填充效果以及制备具有更好导热性的聚合物材料提供了指导。