基于密度泛函理论的SF6潜在替代气体筛选OA北大核心CSCDCSTPCD
Selection of Potential Substitutes for SF6 Based on Density Functional Theory
目前在研的SF6替代气体存在沸点θb过高、与缓冲气体混合后绝缘强度ER降低等问题,仍需要寻找新型替代气体.为此,基于气体中载流子碰撞过程分析,找出第1电离能ε、分子电负性χ和分子直径Dw3个与气体绝缘强度相关的参数,并采密度泛函理论(DFT)下的B3LYP方法及6-311G+(d,p)基组对37种气体的上述参数进行计算.通过多元非线性拟合得到了气体绝缘强度预测模型,模型可决系数R2达到0.90;并根据10个未代入拟合的气体绝缘强度数据对预测模型进…查看全部>>
At present, the substitutes of SF6 under investigation still have several problems such as possessing high boiling points θb and low insulation strengths ER after being mixed with buffer gases. Hence the new substitutes are still need to be found. Consequently, the parameters such as the first ionization energy ε, electronegativity χ, and the molecule diameter Dw, which are highly correlated with the electric insulation strength, were selected by the analysi…查看全部>>
陈庆国;邱睿;林林;程嵩;张聪
哈尔滨理工大学工程电介质及其应用教育部重点实验室, 哈尔滨 150080哈尔滨理工大学工程电介质及其应用教育部重点实验室, 哈尔滨 150080武汉大学电气与自动化学院, 武汉 430072哈尔滨理工大学工程电介质及其应用教育部重点实验室, 哈尔滨 150080哈尔滨理工大学工程电介质及其应用教育部重点实验室, 哈尔滨 150080
绝缘强度预测潜在绝缘气体环保型管道输电密度泛函理论量子化学
insulation strength predictionpotential insulation gaseseco-friendly gas insulation linedensity functional theoryquantum chemistry
《高电压技术》 2019 (4)
1026-1033,8
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