C 6 F 12 O can be used in gas-insulated equipment due to its excellent insulation properties. The purpose of this paper is to calculate the total electron-impact ionization cross section to evaluate the dielectric strength of the molecule using the Deutsch–M?rk formula. First, according to the calculation method of quantum chemistry, the structure of the molecule is optimized. Three different methods, such as Mulliken population analysis, C-squared population analysis, and natural atomic orbital (NAO), are used to calculate the molecular orbital components, and then the molecular collision cross section is obtained. The influence of different weighting factors on the calculation results is analyzed. The validity of the proposed method is verified by the calculation results of H 2 O, C 3 H 6 O, and C 5 F 10 O. The results show that the calculation value with the NAO method is closer to the experimental results, which provides a reference for the calculation and analysis of the collision cross section of C 6 F 12 O. The calculation results in this paper can provide basic data for further calculation of the dielectric strength of C 6 F 12 O.
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机译:C 6 F 12 O由于其绝缘性能优异,可用于气体绝缘设备。本文的目的是计算总电子冲击电离横截面,以使用氘-Mα的RK配方评估分子的介电强度。首先,根据量子化学的计算方法,优化分子的结构。三种不同的方法,例如Mulliken人口分析,C平方群分析和天然原子轨道(NaO)用于计算分子轨道组分,然后获得分子碰撞横截面。分析了不同加权因子对计算结果的影响。通过H 2 O,C 3 H 6 O和C 5 F 10 O的计算结果验证所提出的方法的有效性。结果表明,NaO方法的计算值更接近实验结果,提供C 6 F 12 O的碰撞横截面计算和分析的参考。本文的计算结果可以提供基本数据,以进一步计算C 6 F 12 O的介电强度。
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