大学物理 ›› 2026, Vol. 45 ›› Issue (5): 9-.doi: 10.16854/j.cnki.1000-0712.250377

• 教学研究 • 上一篇    下一篇

从热力学出发探讨反应过程与动力学参数解析

钟苗   

  1. 南京大学现代工程与应用科学学院,江苏 南京210023
  • 收稿日期:2025-07-20 修回日期:2025-09-19 出版日期:2026-07-06 发布日期:2026-08-06
  • 作者简介:钟苗(1982—),男,江西上饶人,南京大学现代工程与应用科学学院教授,博士,主要从事能源化学、表界面催化与小分子高效转化方面的研究和教学工作.
  • 基金资助:
    国家自然科学基金(22272078)资助

Analyzing reaction mechanism and kinetics using thermodynamics principles

ZHONG Miao   

  1. College ofEngineering and Applied Sciences, Nanjing University, Nanjing, Jiangsu 210023, China

  • Received:2025-07-20 Revised:2025-09-19 Online:2026-07-06 Published:2026-08-06

摘要: 熵、焓与吉布斯自由能是热力学与统计物理中的核心概念,在理解化学反应和能源转换的关键过程方面具有重要意义.然而,当前本科教学中,这些概念常被孤立呈现,缺乏与微观机制的系统联结,导致学生难以在分子尺度建立对宏观能量变化的深入理解.本文提出以“宏观概念—微观图像—精准测量”为教学主线,融会热力学、反应动力学与过渡态理论之间的知识体系.以CO2甲烷化反应为例,结合实验设计与热力学参数测量,揭示焓-熵协同调控提升催化效率的机制,特别是局域电场诱导活化熵(ΔS)增,增加中间体表面构型,结合电子态调控降低活化焓(ΔH),从而降低活化能垒(ΔG),加速反应.本教学设计有助于学生理解分子运动状态与反应中间体演化中的“结构—能量—速率”关系.教学实践表明,上述方法深化了学生对热力学本质的理解,提升了实验研究中的定量分析能力,为物理、化学与材料类课程中复杂概念的教学提供了可行思路.


关键词: 熵-焓调控, 热力学平衡, 反应动力学, 过渡态理论, 构型熵

Abstract: Entropy, enthalpy and Gibbs free energy are core concepts in thermodynamics and statistical physics, with fundamental theoretical and applied value for understanding chemical reactions kinetics and energy conversion.However, in undergraduate teaching these concepts are often presented in isolation, lacking systematic links to microscopic mechanisms, which hinders students from understanding macroscopic energy changes at the molecular scale.This paper proposes a teaching framework centered on the main line of “macroscopic concepts-microscopic pictures-quantitative measurements” integrating thermodynamics, reaction kinetics, and transition state theory into a unified knowledge system. Using CO2 methanation as an example, we combine experimental design with thermodynamic parameter measurements to reveal the mechanism of enthalpy-entropy synergy in enhancing catalytic efficiency. In particular, we highlight how local field-induced increases in activation entropy (ΔS) and decrease in reaction enthalpy (ΔH) via possible routes can lower the activation barrier (ΔG) through modulation of intermediate surface configurations and electronic relaxation, thereby accelerating the reaction. This teaching design helps students establish the “structure-energy-rate” relationship underlying molecular motion and intermediate evolution. Teaching practice demonstrates that this approach deepens the understanding of the essence of thermodynamics and improves quantitative analysis skills, providing a teaching strategy in physics, chemistry and materials courses.

Key words: entropy-enthalpy synergy, thermodynamic equilibirum, reaction kinetics, transition state theory, configuration entropy