| 石墨烯基聚合物复合材料热性能的分子动力学研究 |
| |
| 引用本文： | 王会东.石墨烯基聚合物复合材料热性能的分子动力学研究[J].塑料科技,2020,48(5):11-14. |
| |
| 作者姓名： | 王会东 |
| |
| 作者单位： | 赤峰学院化学与生命科学学院,内蒙古 赤峰 024000 |
| |
| 基金项目： | 赤峰学院青年科研基金项目 |
| |
| 摘 要： | 在石墨烯上采用碳氢基链接枝的化学功能化法以提高石墨烯基聚合物复合材料的热性能。其中分子动力学模拟(MD)用于确定单层石墨烯和石墨烯基聚合物纳米复合材料的导热系数。采用非平衡分子动力学(NEMD)模拟研究了石墨烯的碳链功能化对石墨烯基聚乙烯纳米复合材料界面热导的影响,探讨了接枝密度(碳氢链数)对石墨烯和纳米复合材料导热性能的影响。
|
| 关 键 词： | 石墨烯 聚合物 热导率 分子动力学模拟 |
Molecular Dynamics of the Thermal Properties of Graphene-Based Polymer Composites |
| |
| WANG Hui-dong.Molecular Dynamics of the Thermal Properties of Graphene-Based Polymer Composites[J].Plastics Science and Technology,2020,48(5):11-14. |
| |
| Authors: | WANG Hui-dong |
| |
| Affiliation: | (Department of Chemistry and Life Science,Chifeng University,Chifeng 024000,China) |
| |
| Abstract: | In order to improve the thermal properties of graphene-based polymer composites,an alkyl-linked branched chemical functionalization method was used in this study.Molecular dynamics simulation(MD)was used to determine the thermal conductivity of graphene monolayers and graphene-based polymer nanocomposites.The effects of carbon chain functionalization of graphene on the interfacial thermal conductivity of graphene-based polyethylene nanocomposites were investigated by using nonequilibrium molecular dynamics(NEMD)simulation.The effects of graft density(number of hydrocarbon chains)on the thermal conductivity of graphene and nanocomposites were also investigated. |
| |
| Keywords: | Graphene Polymer Thermal conductivity Molecular dynamics simulation |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ |
