C4F7N/N2混合气体的分解机理研究  

Study on the Decomposition Mechanism of C4F7N/N2 Gas Mixture

作　　者：傅明利 陈曦[2] 陈柔伊 王琦[2] 卓然 王邸博 张晓星[3] 李祎[3] FU Mingli;CHEN Xi;CHEN Rouyi;WANG Qi;ZHUO Ran;WANG Dibo;ZHANG Xiaoxing;LI Yi(Electric Power Research Institute,CSG,Guangzhou 510663,China;China South Power Grid International Co.,Ltd.,Guangzhou 510663,China;Wuhan University,Wuhan 430072,China)

机构地区：[1]南方电网科学研究院有限责任公司,广州510663 [2]中国南方电网有限责任公司,广州510663 [3]武汉大学,武汉430072

出　　处：《高压电器》2020年第7期1-7,共7页High Voltage Apparatus

基　　金：南方电网重点科技项目(ZBKJXM20170090)。

摘　　要：近年来,C4F7N(2,3,3,3-四氟-2-(三氟甲基)-丙腈)凭借优良的绝缘和环保性能得到了替代气体研究领域的广泛关注。目前针对C4F7N混合气体分解特性的研究较少,为明确其分解特性,文中基于ReaxFF分子动力学方法和量子化学DFT理论对C4F7N/N2混合气体的分解机理进行了研究,同时利用气体绝缘性能测试平台配合气相色谱质谱联用仪对C4F7N/N2混合气体多次工频击穿后的放电分解产物进行了检测。研究发现C4F7N/N2混合气体的主要分解产物有CF4、C2F6、C3F8、CF3CN、C2F4、C3F6和C2F5CN,其中C2F6、CF4及CF3CN的相对含量较高;ReaxFF-MD分子动力学模拟显示CF3,CN,F和C3F7是C4F7N分解形成的4种最为重要的自由基碎片。该研究成果深入揭示了C4F7N/N2混合气体的分解机理,为混合气体的工程应用提供了重要参考。In recent years,C4F7N(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanenitrile)has got extensive attention in the field of alternative gas research due to its excellent insulation and environmental performance.At present,there are few studies on the decomposition characteristics of C4F7N gas mixture,in order to clarify its decomposition characteristics,the decomposition mechanism of C4F7N/N2 gas mixture is studied based on the ReaxFF molecular dynamics method and quantum chemical DFT theory.The gas insulation performance test platform and gas chromatography-mass spectrometry(GC-MS)were also used to detect the decomposition products of C4F7N/N2 gas mixture after multiple frequency breakdown tests.The results show that the main decomposition products of the C4F7N/N2 gas mixture are CF4、C2F6、C3F8、CF3 CN、C2F4、C3F6 and C2F5CN.Among them,the relative contents of C2F6、CF4 and CF3CN are relatively high.The ReaxFF-MD simulation shows that CF3、CN、F and C3F7 are the four main free radicals produced by C4F7N decomposition.Related research results not only revealed the decomposition mechanism of C4F7N/N2 gas mixture in depth,but also provides an important reference for the engineering application of C4F7N/N2 gas mixture.

关 键 词：C4F7N/N2 ReaxFF-MD 分解机理 SF6替代气体 

分 类 号：TM213[一般工业技术—材料科学与工程]