基于ReaxFF-MD与TG-IR探究充油电缆中烷基苯绝缘油热解机理Probing the pyrolysis mechanism of alkylbenzene insulating oil in oil-filled cables based on ReaxFF-MD and TG-IR
刘志峰,杨伟琪,廖建平,朱志平,汪红梅
摘要(Abstract):
海底充油电缆的安全稳定运行至关重要,但内部的十二烷基苯(DDB)绝缘油在热故障导致的局部高温下会快速热解和产气。基于反应分子动力学模拟(Reax FF-MD)和热重-红外光谱(TG-IR)实验,对十二烷基苯绝缘油的热解和产气过程进行探究。热解模拟结果表明:十二烷基苯分子初始裂解反应主要为C—C键的断裂产生长链大分子,后逐渐热解产生小烷基自由基和烯烃分子,DDB最终会热解为侧链为·C2H5、·CH3和·C3H7基团的短链烷基苯分子。热解过程中主要特征气体为C2H4、H2、CH4,与IR实验结果相同,特征气体生成的主要反应机理分别为:β位C—C键的断裂、加氢反应和脱氢反应;·H自由基攻击其他自由基上的H原子;甲基自由基(·CH3)与游离的氢(·H)自由基反应。动力学结果表明TG实验与Reax FF-MD的活化能分别为86.606 k J/mol以及99.867 k J/mol,相近的活化能进一步验证了仿真结果的合理性。研究结论为深入了解十二烷基苯绝缘油的裂解和产气机理提供了理论支持。
关键词(KeyWords): 十二烷基苯;热解;产气;ReaxFF-MD;TG-IR;反应机理
基金项目(Foundation): 南方电网超高压输电公司科技项目(CGYKJXM20220080);; 湖南省教育厅科学研究重点项目(23A0269);; 湖南省学位与研究生教学改革研究项目(2021JGYB133)~~
作者(Author): 刘志峰,杨伟琪,廖建平,朱志平,汪红梅
DOI: 10.19666/j.rlfd.202404077
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