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Citation: Gengwei Zhang, Jun Cao. 化学反应动力学方程的AI辅助发现——以蔗糖水解反应为例[J]. University Chemistry, ;2026, 41(9): 396-404. doi: 10.12461/PKU.DXHX202508037 shu

化学反应动力学方程的AI辅助发现——以蔗糖水解反应为例

Gengwei Zhang ,
Jun Cao ^,

School of Materials and Energy, Foshan University, Foshan 528000, Guangdong Province, China

Corresponding author: Jun Cao, caojunbnu@mail.bnu.edu.cn
Received Date: 6 August 2025
Revised Date: 13 October 2025

本文介绍基于遗传编程的符号回归方法用于从实验数据中自动发现化学反应动力学微分方程的研究。通过选取三组不同文献报道的蔗糖水解旋光度实验数据进行符号回归分析，验证了该方法在化学反应微分方程发现方面的有效性，并考察了数值误差对反应方程式识别的影响。研究结果表明，该方法不仅能准确发现与理论推导一致的蔗糖水解动力学微分方程数学表达式，还能优化动力学参数的评估。本研究不仅有助于学生了解从实验数据到科学规律的提炼过程，弥合从实验观测到规律发现之间的逻辑断层，而且将为“AI辅助科学规律发现”这一新型研究范式在高校化学教学中的实践应用提供可靠的技术支持。
- Symbolic regression,
- Differential equations,
- Sucrose hydrolysis,
- Rate constant
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