Kinetic analysis of the effect of O2 on SF6 over-thermal decomposition
Kinetic analysis of the effect of O2 on SF6 over-thermal decomposition
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O2对SF6过热分解影响的动力学分析
DOI：
10.1088/1361-6463/ac2387
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发表时间：
2021-09
期刊：
影响因子：
--
通讯作者：
Fuping Zeng
中科院分区：
文献类型：
--
作者：
Fuping Zeng
SF6气体绝缘设备在运行过程中可能发生部分过热故障（POF），引起SF6分解，威胁设备安全和电网稳定运行。SF6的分解与设备内部的残余O2密切相关。SF6在O2作用下的分解机理有待深入研究，但目前还缺乏一个力场来描述。本文首先建立了一个反应力场（ReaxFF），可以描述SF6与O2共存体系的微观反应过程。利用该力场进行了一系列分子动力学（MD）模拟，探讨了O2对SF6过热分解的影响。首先，得到了影响特征产物形成的主要化学反应。其次，研究了不同比例的SF6和O2的分解过程，并观察了反应的动力学过程，模拟了SOF4、SOF3、SOF2、SO2F2、SOF2和SO2等主要产物的数量变化。此外，利用过渡态理论研究了反应过程中能量和分子结构的变化。结合模拟结果，分析了O2对SF6过热分解的作用机理。该工作有助于对气体绝缘设备过热失效机理的认识。
Partial over-thermal fault (POF) may occur during operation of SF6 gas insulated equipment, which will cause SF6 to decompose and threaten the safety of equipment and stable operation of power grid. The decomposition of SF6 is closely related to the residual O2 inside the equipment. The decomposition mechanism of SF6 under the action of O2 needs to be studied in depth but there is still a lack of a force field to describe it. This paper first establishes a reactive force field (ReaxFF) that can describe the microscopic reaction process of SF6 and O2 coexisting systems. Using the force field, a series of molecular dynamics (MD) simulations are performed to explore the effect of O2 on the over-thermal decomposition of SF6. First, the main chemical reactions affecting the formation of the characteristic products were obtained. Second, the decomposition process of SF6 and O2 with different proportions is studied, and the kinetic process of reactions are observed, which simulates the changes in quantity of the major products including SOF4, SOF3, SOF2, SO2F2, SOF and SO2. In addition, transition state theory is used to study the changes in energy and molecular structure during the reaction. Synthesizing the simulation results, the mechanism of O2 on the over-thermal decomposition of SF6 is analysed. The work advances understanding the mechanism of over-thermal failure of gas insulated equipment.
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影响因子：
2.9
作者：
Wood, Mitchell A.;van Duin, Adri C. T.;Strachan, Alejandro
通讯作者：
Strachan, Alejandro
影响因子：
15.1
作者：
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通讯作者：
Chen, Dachang
DOI：
10.1109/tdei.2017.006572
发表时间：
2017-12
影响因子：
3.1
作者：
Jiachen Wang;W. Ding;Jiaqi Yan;Yanan Wang;Yongsheng Wang;Zhichuang Li;Guojun Li
通讯作者：
Jiachen Wang;W. Ding;Jiaqi Yan;Yanan Wang;Yongsheng Wang;Zhichuang Li;Guojun Li
DOI：
10.1109/tdei.2017.006535
发表时间：
2017-04-01
影响因子：
3.1
作者：
Ma, Jingtan;Zhang, Qiaogen;Gao, Chao
通讯作者：
Gao, Chao
DOI：
10.1109/tdei.2014.6832242
发表时间：
2014-06-01
影响因子：
3.1
作者：
Zeng, Fuping;Tang, Ju;He, Jianjun
通讯作者：
He, Jianjun