摘要
物理化学的主要研究内容之一是化学体系的微观结构和性质。介电常数是物质的重要物理量,与物质的电子结构紧密相关。结合物理化学分析方法,利用Gaussian和Multiwfn软件对制冷剂材料的介电常数进行了探究,并与相应的实验值进行了对比分析。通过结合分子可视化和量子化学计算软件,提高了化学教学的生动性,将该研究方法用于课堂教学,激发学生的研究兴趣,有利于学生对相关知识的理解。
The microstructure and properties of chemical systems are one of the main studies in Physical Chemistry.Dielectric constant is an important physical quantity of substance,which is closely related to its electronic structure.The dielectric constants of the refrigerant materials were investigated using Gaussian and Multiwfn software in combination with physicochemical analysis methods,and DFT calculated values were compared with the experimental values.By combining molecular visualization and quantum chemistry calculation software,the vividness of Chemistry teaching was enhanced.In addition,using this research method in teaching stimulated students'interest in research and facilitated their understanding of relevant knowledge.
作者
马跃
吴学秋
杨敏
宋卫余
MA Yue;WU Xue-qiu;YANG Min;SONG Wei-yu(College of Science,China University of Petroleum(Beijing),Beijing 102249,China)
出处
《广州化工》
CAS
2023年第14期147-150,共4页
GuangZhou Chemical Industry
基金
中国石油大学(北京)本科教学工程资助项目(No:2018-68)。
