安徽大学学报（自然科学版）2025，Vol.49Issue(5)：75-84,10.DOI:10.3969/j.issn.1000-2162.2025.05.009
C5F10O绝缘气体的GWP值理论研究
Theoretical study of the GWP of C5F10O insulating gas
摘要
Abstract
SF6 gas has a strong greenhouse effect.Currently perfluoropentanone(C5F10O)is expected to become a new type of insulating gas as an alternative to SF6 due to its excellent insulating properties and environmental-friendly characteristics.Global warming potential value and atmospheric lifetime are two important indicators for measuring the impact of greenhouse gases on global climate change.Therefore,the accurate prediction of global warming potential value and atmospheric lifetime by theoretical simulation is conducive to judging the possibility of C5F10O as a new insulating gas.In this paper,the properties and radiation efficiency values of the C5F10O molecule were calculated by density functional theory.The crystal structures of C5F10O and C5F10O-H2O were predicted using the Monte Carlo method.The decomposition pathways were predicted by the Car-Parrinello molecular dynamics simulation method,and the transition state of C5F10O-H2O was identified.The rate constants were calculated,and reliable global warming potential value and atmospheric lifetime values were obtained.Different from the traditionally assumed reaction model,this research based on the first-principles molecular dynamics method,provides a comprehensive and solid scientific basis for exploring the dissociation pathways,and provides a new perspective for evaluating the feasibility of SF6 replacing insulating gas in power equipment.关键词
全氟戊酮/SF6替代气体/蒙特卡洛/分解特性/全球变暖潜能值/大气寿命Key words
C5F10O/SF6 alternative gas/Monte Carlo/decomposition characteristics/global warming potential value/atmospheric lifetime分类
化学化工引用本文复制引用
崔圆圆,刘伟,李丹,程龙玖,袁勤勤..C5F10O绝缘气体的GWP值理论研究[J].安徽大学学报（自然科学版）,2025,49(5):75-84,10.基金项目
国家自然科学基金资助项目(22273001) （22273001）
安徽省自然科学基金资助项目(2208085UD16) （2208085UD16）
