石墨烯季戊四醇相变复合材料导热性能的分子动力学研究.

Low thermal conductivity is a major disadvantage that limits the practical application of energy storage materials. Graphene with highly thermal conductivity can be used as a thermal conductive filler to effectively improve the thermal conductivity of energy storage materials. In this paper, the thermal conductivity and internal interaction of graphene/pentaerythritol (GE/PE) solid-solid phase change composites were simulated by reverse non-equilibrium molecular dynamics method and Materials Studio software with graphene (GE) mass fraction of 0.5%, 1 %, 1.5%, 2 %, 2.5% and 3%.The results show that the addition of graphene could effectively improve the thermal conductivity of pentaerythritol. With the increase of GE mass fraction, the thermal conductivity, interfacial thermal conductivity and interaction energy of GE/PE composite phase change material were gradually increased, and the trend amplitude was consistent. The overall increase in thermal conductivity was attributed t o the change of graphene structure. It could provide guidance for experimental research on graphene to improve thermal conductivity of pentaerythritol. [ABSTRACT FROM AUTHOR]