Decomposition and reaction characteristics of C6F12O/N2 with rubber materials based on ReaxFF

被引:0
|
作者
Xiao, Pangxin [1 ]
Zhang, Xiaoxing [1 ]
Meng, Fei [2 ]
Li, Xiaohan [1 ]
Tian, Shuangshuang [1 ,3 ]
Zhang, Ying [3 ]
机构
[1] Hubei Univ Technol, Hubei Engn Res Ctr Safety Monitoring New Energy &, Wuhan 430068, Peoples R China
[2] State Grid Shanghai Jiading Elect Power Supply Co, Shanghai 201800, Peoples R China
[3] Guizhou Power Grid Co Ltd, Sci Res Inst Elect Power, Guiyang 550002, Peoples R China
基金
中国博士后科学基金;
关键词
Sealing rubber material; Compatibility; Molecular dynamics; ReaxFF force field; Decomposition characteristics; MOLECULAR DYNAMIC SIMULATION; FORCE-FIELD;
D O I
10.1016/j.mtcomm.2023.106864
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
C6F12O is considered to have potential for application in medium and low voltage electrical switchgear due to its excellent insulating properties. In order to ensure the stable operation of the equipment, it is necessary to study the compatibility of C6F12O/N2 gas with the rubber sealing materials used in insulating equipment. In this paper, EPDM, NBR and FKM are selected to conduct thermal acceleration experiments under 96 % C6F12O/4 % N2 gas at 40 degrees C, 90 degrees C, 110 degrees C and the changes of gas mixture before and after the experiments are analyzed by GC-MS. At the same time, the molecular system of gas mixture and rubber is constructed, and the reaction process of the system is simulated and the main decomposition path of rubber and the generation path of C2F are obtained at 1000-4000 K by using ReaxFF force field. The experimental results show that C6F12O/N2 gas mixture reacts with three rubbers at 40 degrees C, 90 degrees C, 110 degrees C and generate gas C3F6, C3F7H and by-products CS2. The theoretical results indicate that the decomposition products of mixed gas and rubber materials at high temperature are mainly H, F, CF2, CF3, and the reaction products are mainly C2F. Through pathway tracking, it is found that the decomposition products of C6F12O and rubber may react in multiple ways to generate C3F6 and C3F7H, which originate from the complex reaction of rubber and gas mixture. The compatibility between C6F12O/N2 and FKM is greater than that of NBR and EPDM. The simulation results are consistent with the experimental results. The results can provide a theoretical reference in the selection of sealing materials for equipment using C6F12O/N2 gas mixture as the insulating medium.
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页数:10
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