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材料导报  2026, Vol. 40 Issue (10): 25040207-9    https://doi.org/10.11896/cldb.25040207
  高分子与聚合物基复合材料 |
化学缺陷对交联聚乙烯电缆电树枝诱发的微观机理研究
李亚莎1,2,*, 王桂斌1,2, 王福达1, 周朝威1, 吴雕1, 董恒1, 敬禹圻1
1 三峡大学电气与新能源学院,湖北 宜昌 443002
2 湖北省输电线路工程技术研究中心,湖北 宜昌 443002
Study on the Microscopic Mechanisms of Electrical Treeing Initiation Induced by Chemical Defects in Crosslinked Polyethylene Cable
LI Yasha1,2,*, WANG Guibin1,2, WANG Fuda1, ZHOU Chaowei1, WU Diao1, DONG Heng1, JING Yuqi1
1 School of Electrical and New Energy, China Three Gorges University, Yichang 443002, Hubei, China
2 Hubei Provincial Engineering Technology Research Center for Power Transmission Line, Yichang 443002, Hubei, China
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摘要 电树枝老化是电缆绝缘劣化的原因之一,它与材料老化形成的内部缺陷密切相关。为揭示交联聚乙烯老化后产生的化学缺陷对电树枝老化的诱发机理,本工作基于密度泛函理论(DFT),从原子和分子层面探讨外电场作用下交联聚乙烯(XLPE)及其引入羰基(XLPE-C=O)和乙烯基(XLPE-C=CH2)缺陷后三种分子的几何结构、轨道能级、静电势以及激发态等微观特性。结果表明,分子链引入化学缺陷后发生卷曲,偶极矩上升,分子极性增强,易于积聚空间电荷;且这些特性在外电场作用下将进一步加强,其中XLPE-C=O分子受外电场的影响最为显著。外电场作用下化学缺陷引入的陷阱深度逐渐浅化,而XLPE-C=O分子电子陷阱受外电场影响最小,并稳定在羰基(-C=O)附近;分子产生缺陷后激发能大幅下降,XLPE-C=O分子第一激发态的空穴-电子分布随外电场增加呈局域激发特性,并局域于羰基(-C=O)区域,有利于空穴与电子复合而产生电致发光。综上交联聚乙烯电缆在老化过程中分子链引入的羰基(-C=O)缺陷是诱发电树枝劣化的重要因素之一。
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李亚莎
王桂斌
王福达
周朝威
吴雕
董恒
敬禹圻
关键词:  密度泛函理论  交联聚乙烯  外电场  电树枝  化学缺陷    
Abstract: Electrical treeing aging is one of the reasons of cable insulation deterioration, closely related to internal defects formed during material aging. To reveal the initiation mechanism of electrical treeing aging induced by chemical defects in cross-linked polyethylene (XLPE) after aging, this work employs density functional theory (DFT) to investigate the microscopic properties of three molecular systems under an external electric field at atomic and molecular levels:pristine XLPE, XLPE with introduced carbonyl defects (XLPE-C=O), and XLPE with vinyl defects (XLPE-C=CH2), and examines the properties include molecular geometry, orbital energy levels, electrostatic potential, and excited states. The results indicate that introducing chemical defects causes molecular chains to curl, increases the dipole moment, and enhances molecular polarity, facilitating space charge accumulation. These characteristics are further intensified under an external electric field, with XLPE-C=O exhibiting the most significant alterations. Under an external electric field, the trap depths introduced by chemical defects gradually decrease, while XLPE-C=O de-monstrates the least sensitivity to the electric field, with electron traps stable near the carbonyl group (-C=O). Following defect formation, excitation energy is substantially reduced. For XLPE-C=O molecules, the hole-electron distribution of the first excited state exhibits localized excitation characteristics within the carbonyl (-C=O) region as the external electric field intensifies, which is conducive to electroluminescence generation through hole-electron recombination. Consequently, carbonyl (-C=O) defects introduced into molecular chains during aging are identified as one of the key factors inducing electrical treeing degradation in cross-linked polyethylene cables.
Key words:  density functional theory    crosslinked polyethylene    external electric field    electrical trees    chemical defects
发布日期:  2026-06-03
ZTFLH:  TM211  
基金资助: 国家自然科学基金(51577105)
通讯作者:  *李亚莎,三峡大学电气与新能源学院教授、博士研究生导师。目前主要从事电力系统绝缘老化与电磁场数值仿真计算等研究工作。liyasha@ctgu.edu.cn   
引用本文:    
李亚莎, 王桂斌, 王福达, 周朝威, 吴雕, 董恒, 敬禹圻. 化学缺陷对交联聚乙烯电缆电树枝诱发的微观机理研究[J]. 材料导报, 2026, 40(10): 25040207-9.
LI Yasha, WANG Guibin, WANG Fuda, ZHOU Chaowei, WU Diao, DONG Heng, JING Yuqi. Study on the Microscopic Mechanisms of Electrical Treeing Initiation Induced by Chemical Defects in Crosslinked Polyethylene Cable. Materials Reports, 2026, 40(10): 25040207-9.
链接本文:  
https://www.mater-rep.com/CN/10.11896/cldb.25040207  或          https://www.mater-rep.com/CN/Y2026/V40/I10/25040207
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