大学化学 >> 2024, Vol. 39 >> Issue (8): 375-382.doi: 10.3866/PKU.DXHX202401030

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Mathematica在物理化学公式可视化中的应用

袁汝明, 张来英, 徐晓明, 吴平平, 傅钢   

  1. 厦门大学化学化工学院, 化学国家级实验教学示范中心(厦门大学), 福建 厦门 361005
  • 收稿日期:2024-01-10 修回日期:2024-02-19 发布日期:2024-02-23
  • 通讯作者: 袁汝明 E-mail:yuanrm@xmu.edu.cn
  • 基金资助:
    教育部第三批虚拟教研室建设试点“ 101计划”化学测量学实验课程虚拟教研室；基础学科拔尖学生培养计划2.0研究课题(20222108)

Application of Mathematica in Visualizing Physical Chemistry Formulas

Ruming Yuan, Laiying Zhang, Xiaoming Xu, Pingping Wu, Gang Fu   

  1. National Demonstration Center for Experimental Chemistry Education (Xiamen University), College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, Fujian Province, China
  • Received:2024-01-10 Revised:2024-02-19 Published:2024-02-23
  • Contact: Ruming Yuan E-mail:yuanrm@xmu.edu.cn

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摘要： 随着计算机技术的快速发展，软件工具在化学教学和研究中的作用日益凸显。本文以Mathematica软件为例，探讨了其在物理化学公式可视化中的应用。借助几个典型的例子，如范德华状态方程、原子轨道与电子云形状以及化学反应速率方程的可视化，为物理化学的教学和研究提供新的视角和方法。通过互动式的学习模式，学生不仅能够通过直观的图形来观察和理解理论背后的物理意义，还能激发他们的兴趣，增强学生学习的主动性和创造性。

关键词: Mathematica, 物理化学, 公式, 可视化

Abstract: With the rapid development of computer technology, the role of software tools in chemical education and research is becoming increasingly prominent. This paper takes Mathematica software as an example to explore its application in the visualization of physical chemistry formulas. By using several typical examples, such as the visualization of the van der Waals equation of state, atomic orbitals and electron cloud shapes, and chemical reaction rate equations, this paper provides new perspectives and methods for teaching and research in physical chemistry. Through interactive learning mode, students can not only observe and understand the physical significance behind theories through intuitive graphics but also stimulate their interest, enhancing their initiative and creativity in learning.

Key words: Mathematica, Physical chemistry, Formulas, Visualization