Multidimensional coupled structure-activity relationship models for replacement of SF_(6)

作     者：Mi Zhang Hua Hou Baoshan Wang 

作者机构：College of Chemistry and Molecular SciencesWuhan UniversityWuhanChina 

出 版 物：《High Voltage》 (高电压（英文）)

年 卷 期：2024年第9卷第2期

页      面：484-494页

核心收录：

学科分类：080801[工学-电机与电器] 0808[工学-电气工程] 08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 

基　　金：National Key Research and Development Program of China Grant/Award Number:2021YFB2401400 

主　　题：properties. dielectric insulation 

摘      要：Computational screening of single gases to replace SF_(6)for electrical insulation has been challenged by the difficulty in combining various mutually exclusive properties especially for dielectric performance with liquefaction and environmental *** reveal the inherent correlations between dielectric strength(Er),boiling point(Tb),and global warming potential(GWP)of dielectric materials,a coupled structure-activity relationship(CSAR)model has been proposed for the first *** means of the generic descriptors,as deduced from the electrostatic potentials,and the specific descriptors,as introduced from the respective microscopic mechanisms,the complex interdependence between Er,Tb,and GWP of the insulation gases is quantitatively characterised by the 3-D coupling *** coupling mechanism for the right balance of properties is uncovered in terms of the first-principle *** CSAR model outperforms the previous SAR models in predicting Er,Tb,and GWP simultaneously in a self-consistent *** importantly,the concept of CSAR could be extended readily to any multidimensional macroscopic *** replacement compounds have been identified tentatively to be the promising candidates to replace SF_(6)using the CSAR model.