六氟化硫绝缘替代气体的构效关系与分子设计技术现状及发展

doi:10.19595/j.cnki.1000-6753.tces.190994

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摘要 SF₆是一种全球变暖潜势最高的温室气体,寻找能够替代SF₆的新型绝缘气体是一项富有挑战性的研究课题。为了突破目前SF₆替代气体研究的实验与理论瓶颈,该文对环保绝缘气体的构效关系与分子设计研究进行了综述,着重阐述了国内外针对气体绝缘强度所建立的构效关系模型,详细分析各种模型的思想、方法、适用范围以及局限性。通过比较各种构效关系模型与分子设计技术的优缺点,提出基于量子化学的SF₆替代气体分子设计新方法,为推动新型替代气体在电气绝缘领域的发展与应用提供理论依据。

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	王宝山
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	罗运柏

关键词 ：六氟化硫, 替代绝缘气体, 构效关系模型, 分子设计, 量子化学

Abstract：Since SF₆ is the most potent greenhouse gas with the highest global warming potential, the search for a viable alternative is a world-widely hot topic with considerable challenges. Developments of structure-activity relationship and molecular design on the replacement dielectric gases for SF₆ were reviewed to breakthrough the bottleneck of both experimental and theoretical studies. Various models to predict the dielectric strengths of arbitrary insulation gases were detailed in terms of idea, methodology, and limitations. New protocols for the molecular design of the novel alternative gases were presented on the basis of the a priori theoretical models and quantum chemical calculations. The present review sheds new lights on the rational molecular design of new chemistries and will inspire experimental synthesis and field tests on the environmentally sustainable dielectric gases.

Key words： Sulfur hexafluoride replacement dielectric gas structure-activity relationship model molecular design quantum chemistry

收稿日期: 2018-07-11 出版日期: 2020-01-17

PACS:

TM213

基金资助:国家重点研发计划（2017YFB0902500）、国家电网公司科技项目（环保型管道输电关键技术）和武汉大学博士研究生研究学分课程建设项目资助

通讯作者: 王宝山男,1972年生,博士,教授,研究方向为量子化学计算与分子设计等。E-mail：baoshan@whu.edu.cn

作者简介: 余小娟女,1989年生,博士研究生,研究方向为量子化学计算与分子设计等。E-mail：yuxiaojuan@whu.edu.cn

引用本文:

王宝山, 余小娟, 侯华, 周文俊, 罗运柏. 六氟化硫绝缘替代气体的构效关系与分子设计技术现状及发展[J]. 电工技术学报, 2020, 35(1): 21-33. Wang Baoshan, Yu Xiaojuan, Hou Hua, Zhou Wenjun, Luo Yunbai. Review on the Developments of Structure-Activity Relationship and Molecular Design of the Replacement Dielectric Gases for SF₆. Transactions of China Electrotechnical Society, 2020, 35(1): 21-33.

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