摘要
为了从微观层面上揭示外电场对硅橡胶绝缘材料内部分子结构特性的影响,本文利用分子模拟和量子化学方法探究了外加电场作用下硅橡胶的微观结构和空间电荷特性的变化。结果表明:随着电场强度的增加,硅橡胶分子的体系总能量减少、偶极矩和极化率增大,加之分子内的C-Si键在受到外电场的拉伸作用时变长,导致硅橡胶结构稳定性下降,从而影响硅橡胶的力学和电学性能。在电场强度较大时,前线轨道的能隙变小,硅橡胶分子链的反应活性位点发生变化,引起分子链前线轨道的电子陷阱和空穴陷阱形成不同程度的陷阱能级分布,增强了硅橡胶对绝缘材料自由电子或注入电荷的俘获能力。当电场达到12.75×103kV/mm的临界值时,硅橡胶分子结构被破坏,并引起红外光谱变化。
In order to reveal the influence of external electric field on the internal molecular structure characteristics of silicone rubber insulation materials at the micro level,this paper used molecular simulation and quantum chemistry methods to explore the changes in the microstructure and space charge characteristics of silicone rubber under the action of external electric field.The results show that with the increase of electric field strength,the total energy of the silicone rubber molecule system decreases,the dipole moment and polarizability increase,and the C-Si bond inside the molecule becomes longer when subjected to the stretching effect of external electric field,resulting in a decrease of the stability of silicone rubber structure and affecting its mechanical and electrical properties.Under a higher electric field strength,the energy gap of the frontier orbitals decreases,and the reactive active sites of the silicone rubber molecular chain change,it causes of trap energy levels for the electron traps and hole traps in the frontier orbitals of the molecular chain to form different degrees of trap energy level distribution,and enhances the ability of silicone rubber to capture free electrons or injected charges in insulating materials.When the electric field reaches the critical value of 12.75×103 kV/mm,the molecular structure of silicone rubber is disrupted and causes changes in the infrared spectrum.
作者
董曼玲
詹振宇
李毅
张朝峰
夏玉婷
杨知非
王琪林
郑含博
DONG Manling;ZHAN Zhenyu;LI Yi;ZHANG Chaofeng;XIA Yuting;YANG Zhifei;WANG Qilin;ZHENG Hanbo(Electric Power Research Institute,State Grid Henan Electric Power Company,Zhengzhou 450099,China;Guangxi Key Laboratory of Power System Optimization and Energy Technology,Guangxi University,Nanning 530004,China;State Grid Henan Electric Power Company,Zhengzhou 450099,China)
出处
《绝缘材料》
北大核心
2025年第5期116-124,共9页
Insulating Materials
基金
国网河南省电力公司科技项目(521702240002)。
关键词
硅橡胶
外部电场
红外光谱
分子模拟
silicone rubber
external electric field
infrared spectroscopy
molecular simulation
作者简介
董曼玲(1983-),女(汉族),河南郑州人,教授级高级工程师,主要从事特高压输、变电设备的在线监测、故障诊断,电工材料放电机理及材料改性等方面的研究;通信作者:李毅(1991-),男(汉族),广西梧州人,博士,主要从事电力绝缘材料状态评估及材料改性等方面的研究。
