Long chain n-alkanes had been employed as the matrix of solid-liquid composite phase change materials due to the high latent heat. In this paper, paraffin-based composite PCM were constructed. To obtain the effects of the ratio of epoxide and hydroxyl groups on functionalized graphene, Molecular dynamics simulation had been used to calculate several composite systems. According to the obtained results, the interfacial thermal resistance surprisedly decreased by 48.68% when the ratio of epoxide and hydroxyl groups was 0.5. And the order parameter in x and y-directions showed the correlation on the interfacial thermal resistance. In terms of the melting point, the composite systems containing the functionalized graphene had lower value in chosen contrasting systems. The present findings were expected to reveal some intriguing thermal behaviors of the graphene/paraffin composite phase change materials with different ratios of epoxide and hydroxyl groups.

由于高潜热，长链正构烷烃已被用作固液复合相变材料的基体。本文构建了石蜡基复合相变材料。为了获得环氧化物和羟基比例对功能化石墨烯的影响，已经使用分子动力学模拟来计算几个复合系统。根据所得结果，当环氧化物与羟基的比例为0.5时，界面热阻惊人地降低了48.68%。并且 x 和 y 方向的顺序参数显示出与界面热阻的相关性。就熔点而言，含有功能化石墨烯的复合系统在选定的对比系统中具有较低的值。