Thermal decomposition characteristics of C6F12O/CO2 gas mixtures under trace water conditions

IF 1.7 4区 化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR
Shuangshuang Tian , Yingyu Wu , Yilin Jin , Jiahao Wang , Benli Liu , Feng Hu , Xiaoping Jin
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Abstract

In recent years, C6F12O gas mixtures has shown extensive prospects for application in medium and low-voltage gas-insulated equipment due to its superior electrical performance and environmental friendliness. The presence of trace water may promote overheating decomposition of gas mixtures. Therefore, studying the thermal decomposition characteristics of C6F12O in a trace water condition is of significant importance for the industrial application, operation, and maintenance of gas equipment. In this paper, the thermal decomposition characteristics of C6F12O/CO2 gas mixtures under trace water conditions are investigated both experimentally and theoretically. The analysis of decomposition products is conducted using gas chromatography-mass spectrometry (GC–MS) on a constructed experimental platform for C6F12O/CO2 gas mixtures overheating. Based on ReaxFF molecular dynamics (ReaxFF-MD), the decomposition characteristics of the gas mixtures over time and the concentration of trace water are observed. The main decomposition reaction paths of C6F12O/CO2 gas mixtures under trace water conditions are analyzed at a microscopic level. Experiment results indicate that the main thermal decomposition products include CF4, C2F6, C3F6, C3F8, CF2O, C3F7H, C4F10, C6F14, C5F12, and CF3H. Additionally, trace water facilitates the thermal decomposition of the C6F12O/CO2 gas mixtures. Theoretical results indicate that multi-step decomposition occurs in the C6F12O component of the gas mixtures, with main generated intermediates including CO, F, CF3, C2F5, C3F7, CFO2, CF2, C2, CF, C4F7O, CF3O, CFO, O, C3F5O, CF2O, C, C2O, H, and OH. The findings of this study provide a foundation for further exploration of trace water content values in C6F12O gas mixtures at a microscopic level in subsequent research.

Abstract Image

微量水条件下 C6F12O/CO2 气体混合物的热分解特性
近年来,C6F12O 混合气体因其优异的电气性能和环保性,在中低压气体绝缘设备中的应用前景十分广阔。微量水的存在可能会促进混合气体的过热分解。因此,研究 C6F12O 在微量水条件下的热分解特性对气体设备的工业应用、运行和维护具有重要意义。本文从实验和理论两方面研究了微量水条件下 C6F12O/CO2 混合气体的热分解特性。在构建的 C6F12O/CO2 气体混合物过热实验平台上,使用气相色谱-质谱法(GC-MS)对分解产物进行了分析。基于 ReaxFF 分子动力学(ReaxFF-MD),观察了混合气体随时间变化的分解特征和痕量水的浓度。从微观层面分析了微量水条件下 C6F12O/CO2 混合气体的主要分解反应路径。实验结果表明,主要热分解产物包括 CF4、C2F6、C3F6、C3F8、CF2O、C3F7H、C4F10、C6F14、C5F12 和 CF3H。此外,微量水也有助于 C6F12O/CO2 混合气体的热分解。理论结果表明,混合物气体中的 C6F12O 成分会发生多级分解,主要生成的中间产物包括 CO、F、CF3、C2F5、C3F7、CFO2、CF2、C2、CF、C4F7O、CF3O、CFO、O、C3F5O、CF2O、C、C2O、H 和 OH。本研究的发现为后续研究在微观层面进一步探索 C6F12O 气体混合物中的痕量水含量值奠定了基础。
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来源期刊
Journal of Fluorine Chemistry
Journal of Fluorine Chemistry 化学-无机化学与核化学
CiteScore
3.80
自引率
10.50%
发文量
99
审稿时长
33 days
期刊介绍: The Journal of Fluorine Chemistry contains reviews, original papers and short communications. The journal covers all aspects of pure and applied research on the chemistry as well as on the applications of fluorine, and of compounds or materials where fluorine exercises significant effects. This can include all chemistry research areas (inorganic, organic, organometallic, macromolecular and physical chemistry) but also includes papers on biological/biochemical related aspects of Fluorine chemistry as well as medicinal, agrochemical and pharmacological research. The Journal of Fluorine Chemistry also publishes environmental and industrial papers dealing with aspects of Fluorine chemistry on energy and material sciences. Preparative and physico-chemical investigations as well as theoretical, structural and mechanistic aspects are covered. The Journal, however, does not accept work of purely routine nature. For reviews and special issues on particular topics of fluorine chemistry or from selected symposia, please contact the Regional Editors for further details.
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