环保型介质HFO-1234ze(E)的分解路径及其化学反应速率分析

doi:10.19595/j.cnki.1000-6753.tces.201387

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Abstract In recent years, HFO-1234ze(E) (C₃H₂F₄) has been regarded by researchers in the electric power industry as a new environmental gas with great potential for application in low and middle voltage equipment. However, the decomposition process of the molecule and the chemical reaction rate of the product have not been studied. Based on density functional theory (DFT) to calculate the HFO-1234ze(E) the basic properties, the law of bond breaking and bonding of gas molecules, the enthalpy change of the reaction, and the chemical reaction rate. Infer the possible decomposition and its compound path, and analyze the frequency characteristics of the decomposition products. Finally, through the power frequency breakdown discharge test. Using gas chromatography mass spectrometer (GC-MS) to qualitatively analyze the decomposition products. It was found that the primary dissociation pathways of HFO-1234ze(E) molecule were mainly C=C double bond, C-H and C-F single bond. The free radical F has more paths, and the corresponding enthalpy change is lower, and it is dominant in the decomposition process. Through the calculation of the chemical reaction rate, it is found that the C-H bond reaction is easier to occur, which verifies that the C-H bond has high chemical reactivity and a large number of free radicals H. Analysis of the frequency characteristics of the decomposition products found that all products except cis-C₃H₂F₄ have stable structures. At the same time, the CF₄, C₂F₆, C₃F₆ and other products produced by the decomposition test are basically consistent with the simulation results, which verifies the simulation calculation.

Key words： HFO-1234ze(e) environmental gas density functional theory decomposition path chemical reaction rate

Received: 12 October 2020

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TM213

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	Ke Kun
	Tian Shuangshuang
	Zhang Xiaoxing
	Xu Zhengwang
	Wang Yufei

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Ke Kun,Tian Shuangshuang,Zhang Xiaoxing等. Analysis of Decomposition Path and Chemical Reaction Rate of Environmentally Friendly Medium HFO-1234ze(E)[J]. Transactions of China Electrotechnical Society, 2021, 36(17): 3553-3563.

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https://dgjsxb.ces-transaction.com/EN/10.19595/j.cnki.1000-6753.tces.201387 OR https://dgjsxb.ces-transaction.com/EN/Y2021/V36/I17/3553

[1] 唐炬, 关伟民, 张博. 高电压工程基础[M]. 北京: 中国电力出版社, 2018.
[2] 周朕蕊, 韩冬, 赵明月, 等. SF₆替代气体分解特性的研究综述[J]. 电工技术学报, 2020, 35(23): 4998-5014.
Zhou Zhenrui, Han Dong, Zhao Mingyue, et al.Review on decomposition characteristics of SF₆ alternative gases[J]. Transactions of China Electrotechnical Society, 2020, 35(23): 4998-5014.
[3] 高克利, 颜湘莲, 刘焱, 等. 环保气体绝缘管道技术研究进展[J]. 电工技术学报, 2020, 35(1): 3-20.
Gao Keli, Yan Xianglian, Liu Yan, et al.Progress of technology for environment-friendly gas insulated transmission line[J]. Transactions of China Electrotechnical Society, 2020, 35(1): 3-20.
[4] 张晓星, 邓载韬, 傅明利, 等. 少量O₂对c-C₄F₈/N₂混合气体击穿与分解特性的影响[J]. 高电压技术, 2019, 45(3): 708-715.
Zhang Xiaoxing, Deng Zaitao, Fu Mingli, et al.Effect of small amount of O₂ on breakdown and decom-position characteristics of c-C₄F₈/N₂ mixture gas[J]. High Voltage Engineering, 2019, 45(3): 708-715.
[5] 肖焓艳, 张晓星, 肖淞, 等. 环境介质对介质阻挡放电降解SF₆影响的实验[J].电工技术学报, 2017, 32(20): 20-27.
Xiao Hanyan, Zhang Xiaoxing, Xiao Song, et al.Experiment of effects of ambient medium on sulfur hexafluoride degradation for a double dielectric barrier discharge reactor[J]. Transactions of China Electrotechnical Society, 2017, 32(20): 20-27.
[6] 吴静, 朱潜挺, 王诗琪, 等. 巴黎协定背景下全球减排博弈模拟研究[J]. 气候变化研究进展, 2018, 14(2): 182-190.
Wu Jing, Zhu Qianting, Wang Shiqi.et al.Game simulation on emission reduction under the background of the Paris Agreement[J]. Climate Change Research, 2018, 14(2): 182-190.
[7] 杜建国. 我国全面启动碳交易市场[J]. 生态经济, 2018, 34(3): 10-13.
Du Jianguo.China has fully launched the carbon trading market[J]. Ecological Economy, 2018, 34(3): 10-13.
[8] 袁瑞君, 李涵, 郑哲宇, 等. 气体绝缘输电线路用C₃F₇CN/CO₂混合气体与环氧树脂相容性试验[J]. 电工技术学报, 2020, 35(1): 70-79.
Yuan Ruijun, Li Han, Zheng Zheyu, et al.Experiment on the compatibility between C₃F₇CN/CO₂ gas mixture and epoxy resin used in gas insulated transmission line[J]. Transactions of China Electrotechnical Society, 2020, 35(1): 70-79.
[9] 王小华, 傅熊雄, 韩国辉, 等. C₅F₁₀O/CO₂混合气体的绝缘性能[J]. 高电压技术, 2017(3): 33-38.
Wang Xiaohua, Fu Xiongxiong, Han Guohui, et al.Insulation performance of C₅F₁₀O/CO₂ gas mixture[J]. High Voltage Engineering, 2017(3): 33-38.
[10] 赵明月, 韩冬, 韩先才, 等. C₆F₁₂O/N₂与C₆F₁₂O/空气混合气体的电晕放电分解产物分析[J]. 电工电能新技术, 2018, 037(11): 1-8.
Zhao Mingyue, Han Dong, Han Xiancai.et al.Decomposition by-products of C₆F₁₂O/N₂ and C₆F₁₂O/air mixed gases under AC 50Hz corona discharge[J]. Advanced Technology of Electrical Engineering and Energy, 2018, 37(11): 1-8.
[11] Silvant S, Gaudart G, Huguenot P, et al.Detailed analysis of live tanks and GIS circuit breakers using a new environmental friendly gas[C]// CIGRE 2016. Paris, France, 2016: A3-114.
[12] Prévé C, Maladen R, Piccoz D.Method for validation of new eco-friendly insulating gases for medium voltage equipment[C]//2016 IEEE International Conference on Dielectrics, Montpellier, France, 2016: 235-240.
[13] Hyrenbach Maik, Zache Sache.Alternative insulation gas for medium-voltage switchgear[C]//2016 Petroleum and Chemical Industry Conference Europe (PCIC Europe), IEEE, 2016.
[14] Magne Saxegaard, Martin Kristoffersen, Patrick Stoller, et al.Dielectric properties of gases suitable for secondary medium voltage switchgear[C]//23rd International Conference on Electricity Distribution, 2015: 0926.
[15] Stoller P C, Doiron C B, Tehlar D, et al.Mixtures of CO₂ and C₅F₁₀O perfluoroketone for high voltage applications[J]. IEEE Transactions on Dielectrics and Electrical Insulation, 2017, 24(5): 2712-2721.
[16] Mantilla J D, Gariboldi N, Grob S, et al.Investigation of the insulation performance of a new gas mixture with extremely low GWP[C]//2014 IEEE Electrical Insulation Conference (EIC), Philadelphia, PA, USA, 2014: 469-473.
[17] Stoller P C, Doiron C B, Tehlar D, et al.Mixtures of CO₂ and C₅F₁₀O perfluoroketone for high voltage applications[J]. IEEE Transactions on Dielectrics & Electrical Insulation, 2017, 24(5): 2712-2721.
[18] Mclinden M J O, Thol M, Lemmon E W. Thermodynamic properties of trans-1, 3, -3, 3-tetrafluoropropene[R1234ze(E)]: measurements of density and vapor pressure and a comprehensive equation of state[C]//International Refrigeration and Air Conditioning Conference, Purdue, 2010, 2189(1-8).
[19] Christophe Preve, Gérard Lahaye, Myriam Richaud.Hazard study of MV switchgear with SF₆ alternative gas in electrical room[C]//24th International Conference on Electricity Distribution, Glasgow, 2017: 198-201.
[20] Abderrahmane B, Abderrahmane (Manu) H. Recent advances in the quest for a new insulation gas with a low impact on the environment to replace Sulfur Hexaflfluoride (SF₆) gas in high-voltage power network applications[J]. Energies, 2017, 10(8): 1216.
[21] Rusch G M.The development of environmentally acceptable fluorocarbons[J]. Critical Reviews in Toxicology, 2018, 48(8): 615-665.
[22] 陈琪, 张晓星, 李祎, 等. 环保绝缘介质C₄F₇N/CO₂/O₂混合气体的放电分解特性[J]. 电工技术学报, 2020, 35(1): 80-87.
Chen Qi, Zhang Xiaoxing, Li Yi, et al.The discharge decomposition characteristics of environmental-friendly insulating medium C₄F₇N/CO₂/O₂ gas mixture[J]. Transactions of China Electrotechnical Society, 2020, 35(1): 80-87.
[23] Zhong Linlin, Rong Mingzhe, Wang Xiaohua, et al.Compositions, thermodynamic properties, and transport coefficients of high-temperature C₅F₁₀O mixed with CO₂ and O₂ as substitutes for SF₆ to reduce global warming potential[J]. AIP Advances, 2017(7): 075003.
[24] 田双双, 张晓星, 肖淞, 等. 工频交流电压下C₆F₁₂O与N₂混合气体的击穿特性和分解特性[J].中国电机工程学报, 2018, 38(10): 3125-3132, 3165.
Tian Shuangshuang, Zhang Xiaoxing, Xiao Song, et al.Breakdown characteristics and decomposition characteristics of C₆F₁₂O and N₂ mixed gas under AC voltage[J]. Proceedings of the CSEE, 2018, 38(10): 3125-3132, 3165.
[25] 李善星. HFO-1234ze(E)饱和蒸气压方程和CO₂混合物热力学性质的研究[D]. 太原: 太原理工大学, 2017.
[26] 张聪. SF₆替代气体基于GWP筛选方法以及HFO/N₂混合气体交流击穿特性[D]. 哈尔滨: 哈尔滨理工大学, 2019.
[27] Chachereau A, Rabie M, Franck C M.Electron swarm parameters of the hydrofluoroolefine HFO1234ze[J]. Plasma Sources Science and Technology, 2016, 25(4): 045005.
[28] Myriam Koch.Prediction of breakdown voltages in novel gases for high voltage insulation[D]. Zurich, Switzerland, ETH-Zürich: 2015.
[29] Tatarinov A V, Bilera I V, Avataeva S V, et al.Dielectric barrier discharge processing of trans-CF₃CH=CHF and CF₃C(O)CF(CF₃)₂, their mixtures with air, N₂, CO₂ and analysis of their decomposition products[J]. Plasma Chemistry & Plasma Processing, 2015, 35(5): 845-862.
[30] Lin Lin, Chen Qingguo, Wang Xinyu, et al.Study on the decomposition mechanism of the HFO1234zeE/ N₂ gas mixture[J]. IEEE Transactions on Plasma Science, 2020, 48(4): 1130-1137.
[31] Haynes W M.CRC Handbook of Chemistry and Physics[Z]. 80th ed. New York: CRC Press, 1999.
[32] Xiao Song, Cressault Y, Zhang Xiaoxing, et al.The influence of Cu, Al, or Fe on the insulating capacity of CF₃I[J].Physics of Plasmas, 2016, 23(12): 123505.
[33] Hohenberg P, Kohn W.Inhomogeneous electron gas[J]. Physical Review, 1964, 136: B864-B871.
[34] Chen Li, Zhang Boya, Xiong Jiayu, et al.Decomposition mechanism and kinetics of iso-C₄ perfluoronitrile(C₄F₇N) plasmas[J]. Journal of Applied Physics, 2019, 126: 163303.
[35] Perdew J P, Wang Yue.Accurate and simple analytic representation of the electron-gas correlation energy[J].Physical Review B: Condensed Matter and Materials Physics, 1992, 45(23): 13244-13249.
[36] Zhang Xiao, Xiao Song, Zhang Ji, et al.Influence of humidity on the decomposition products and insulating characteristics of CF₃I[J]. IEEE Transactions on Dielectrics & Electrical Insulation, 2016, 23(2): 819-828.
[37] Xiao Song, Li Yi, Zhang Xiaoxing, et al.Formation mechanism of CF₃I discharge components and effect of oxygen on decomposition[J].Journal of Physics D: Applied Physics, 2017, 50(15): 155601.
[38] 吴学科, 唐延林, 方世诚, 等. 外电场作用下SF₆分子结构与红外光谱[J]. 原子与分子物理学报, 2016, 33(3): 385-391.
Wu Xueke, Tang Yanlin, Fang Shicheng, et al.Molecular structure and infrared spectrum for SF₆ under external electric fields[J]. Journal of Atomic and Molecular Physics, 2016, 33(3): 385-391.
[39] 李祎, 张晓星, 肖淞, 等. 环保型绝缘介质C₅F₁₀O放电分解特性[J].中国电机工程学报, 2018, 38(14): 4298-4306, 4336.
Li Yi, Zhang Xiaoxing, Xiao Song, et al.Study on the discharge decomposition characteristics of an environmental-friendly insulating medium C₅F₁₀O[J]. Proceedings of the CSEE, 2018, 38(14): 4298-4306, 4336.
[40] 张晓虹, 张亮, 乐波, 等. 基于局部放电的矩特征分析大电机主绝缘的老化[J]. 中国电机工程学报, 2002, 22(5): 94-98.
Zhang Xiaohong, Zhang Liang, Yue Bo.et al.Analysis on aging condition of stator winding insulation of generator based on the moment characteristics of partial discharge[J]. Proceedings of the CSEE, 2002, 22(5): 94-98.