大学化学 >> 2026, Vol. 41 >> Issue (1): 213-226.doi: 10.12461/PKU.DXHX202505110

所属专题： 化学实验数字化设计竞赛获奖作品

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数据驱动思路助力化学反应速率常数测定实验的研究

黄坚, 张明珏, 马尚初, 董佳, 吴官梓, 温爱明, 刘卓靓   

  1. 国防科技大学理学院, 长沙 410003
  • 收稿日期:2025-05-30 录用日期:2025-09-23 发布日期:2025-12-30
  • 通讯作者: 黄坚, 刘卓靓 E-mail:huangjian2015@nudt.edu.cn;liuzhuoliang16@nudt.edu.cn Jian Huang, Zhuoliang Liu
  • 基金资助:
    国防科技大学教育教学改革重点项目(U2021202)

Data-Driven Approach for the Determination of Chemical Reaction Rate Constant

Jian Huang, Mingjue Zhang, Shangchu Ma, Jia Dong, Guanzi Wu, Aiming Wen, Zhuoliang Liu   

  1. College of Science, National University of Defense Technology, Changsha 410003, China
  • Received:2025-05-30 Accepted:2025-09-23 Published:2025-12-30
  • Contact: Jian Huang, Zhuoliang Liu E-mail:huangjian2015@nudt.edu.cn;liuzhuoliang16@nudt.edu.cn

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摘要： 测定镁条与稀硫酸反应的速率常数是多所高校的基础无机化学实验。然而用一级动力学模型拟合时，容易观察到反应后半段的数据不符合模型。为了验证副反应的猜想，我们引入了pH值数据，设计了规范化自动化的实验过程和数据采集；我们开发了数据处理的小程序包，用于深入研究镁条与硫酸之间的反应速率常数。实验发现主反应(Mg与H2SO4)为一级反应，其速率常数随温度升高显著增加；副反应(Mg与H2O)符合二级动力学特征，活化能达127.79 kJ‧mol‒1。本论文通过多维度数据协同分析、自动化数据处理流程设计，对主副反应动力学特征进行了交叉验证，解释了电导率数据偏离现象。本论文将传统验证性实验转化为研究型教学载体，实现了“数据驱动研究”范式与实验教学的融合，为理工科非化学专业学生培养创新思维与数字化问题解决能力提供了实践范例。

关键词: 化学反应速率常数, 数字化设计, 数据驱动研究, 数据处理程序包

Abstract: The measurement of rate constants for the reaction between magnesium ribbon and dilute sulfuric acid constitutes a fundamental experiment in inorganic chemistry curricula across numerous universities. However, when applying first-order kinetic modeling, systematic deviations are frequently observed in the latter stage of the reaction. To examine the side-reaction hypothesis, we incorporated pH monitoring and established a standardized, automated experimental protocol with systematic data acquisition. Additionally, we developed a dedicated data processing toolkit to facilitate comprehensive analysis of the reaction kinetics in the magnesium-sulfuric acid system. The experimental analysis revealed that the main reaction (Mg with H2SO4) follows first-order kinetics, with its rate constant significantly increasing as temperature rises. In contrast, the side reaction (Mg with H2O) aligns with a second-order kinetic model, exhibiting an activation energy of 127.79 kJ‧mol‒1. Through multidimensional data integration and automated data processing workflows, this study systematically cross-validated the kinetic parameters of both main and side reactions. This approach successfully explained the experimental deviations observed in conductivity data during the reaction’s later stages. By transforming traditional verification-based experiments into a research-oriented learning platform, this work bridges the “data-driven approach” paradigm with practical laboratory instruction, providing a practical framework for cultivating innovative thinking and digital problem-solving skills among undergraduate students in non-chemistry science and engineering disciplines.

Key words: Rate constant of chemical reaction, Digital design, Data-driven research, Data processing program package