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计算模拟在化学热力学、动力学教学实践中的应用——以甲醛解离反应为例
摘    要:

关 键 词:教学改革  量子化学  无机化学  物理化学  反应势能面  反应速率常数  
收稿时间:2019-11-25

Application of Computational Simulation in the Teaching Practice of Chemical Thermodynamics and Dynamics: Taking Isomerization and Dissociation of Formaldehyde as an Example
Authors:Guanghui Chen  Wangqiang Lin  Kun Jiang
Institution:1. Department of Chemistry, Shantou University, Shantou 515063, Guangdong Province, P. R. China;2. Department of Natural Science, Shantou Polytechnic, Shantou 515041, Guangdong Province, P. R. China
Abstract:Chemical thermodynamics and kinetics are the important contents in the course of inorganic chemistry and physical chemistry, but this part of knowledge is difficult to understand. We tried to integrate the computational simulation with the knowledge of chemical thermodynamics and dynamics in order to help students understand the knowledge. In the class, we demonstrated students with the chemical thermodynamics and kinetics process of formaldehyde dissociation reaction, so as to make the abstract knowledge intuitive and visual. According to the students' feedback, we found that the enthusiasm and participation of the students in the subsequent class have been greatly improved.
Keywords:Teaching reform  Quantum chemistry  Inorganic chemistry  Physical chemistry  Potential energy surface  Reaction rate constant  
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