Analysis of Decomposition Path and Chemical Reaction Rate of Environmentally Friendly Medium HFO-1234ze(E)
Ke Kun1,2, Tian Shuangshuang1, Zhang Xiaoxing1, Xu Zhengwang1, Wang Yufei1
1. Hubei Engineering Research Center for Safety Monitoring of New Energy and Power Grid Equipment Hubei University of Technology Wuhan 430068 China; 2. State Grid Hubei Power Company Huang shi Power Supply Company Huangshi 435000 China
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.
柯锟, 田双双, 张晓星, 许正望, 王宇非. 环保型介质HFO-1234ze(E)的分解路径及其化学反应速率分析[J]. 电工技术学报, 2021, 36(17): 3553-3563.
Ke Kun, Tian Shuangshuang, Zhang Xiaoxing, Xu Zhengwang, Wang Yufei. Analysis of Decomposition Path and Chemical Reaction Rate of Environmentally Friendly Medium HFO-1234ze(E). Transactions of China Electrotechnical Society, 2021, 36(17): 3553-3563.
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