大学化学 >> 2020, Vol. 35 >> Issue (12): 143-149.doi: 10.3866/PKU.DXHX201911052

教学研究与改革 上一篇    下一篇

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

陈广慧1,*(), 林旺强1, 姜昆2,*()   

  1. 1 汕头大学化学系, 广东 汕头 515063
    2 汕头职业技术学院自然科学系, 广东 汕头 515041
  • 收稿日期:2019-11-25 录用日期:2020-01-19 发布日期:2020-02-06
  • 通讯作者: 陈广慧,姜昆 E-mail:ghchen@stu.edu.cn;mathkun123456@126.com
  • 作者简介:姜昆, Email: mathkun123456@126.com
    陈广慧, Email: ghchen@stu.edu.cn
  • 基金资助:
    2018年广东省高等教育教学改革项目(2018–2020)

Application of Computational Simulation in the Teaching Practice of Chemical Thermodynamics and Dynamics: Taking Isomerization and Dissociation of Formaldehyde as an Example

Guanghui Chen1,*(), Wangqiang Lin1, Kun Jiang2,*()   

  1. 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
  • Received:2019-11-25 Accepted:2020-01-19 Published:2020-02-06
  • Contact: Guanghui Chen,Kun Jiang E-mail:ghchen@stu.edu.cn;mathkun123456@126.com

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摘要：

化学热力学、动力学是无机化学和物理化学课程的重要内容，然而这部分知识抽象难懂。我们尝试在教学中将计算模拟与化学热力学、动力学知识点深度融合，帮助学生加深对知识的理解。在课堂上通过向学生模拟演示甲醛解离反应的化学热力学和动力学过程，将抽象知识直观、可视化。根据学生反馈发现后续课堂学生的积极性、参与度都有很大的提高。

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

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.

Key words: Teaching reform, Quantum chemistry, Inorganic chemistry, Physical chemistry, Potential energy surface, Reaction rate constant