反应动力学模拟在环境化学实验教学中的应用
Application of Reaction Kinetics Simulation in Environmental Chemistry Experiment Teaching
摘要: 本文以苯在Fenton体系中的氧化反应为例，使用反应动力学模拟软件SimBiology模拟了Fenton反应产生羟基自由基及其氧化苯的反应过程，测定了体系中反应物Fe2+离子和产物苯酚的浓度，并检验了模拟结果与实验结果的一致性。该实验将传统化学实验与计算机模拟结合，可巩固和提升学生对反应动力学和羟基自由基反应特性等理论课教学内容的学习；实验条件和操作技能要求适中，课时安排紧凑，满足环境化学综合性实验教学需求，适于推广。
Abstract: This study uses the oxidation of benzene in a Fenton system as a case to demonstrate the use of SimBiology for simulating hydroxyl radical generation and benzene oxidation. Concentrations of Fe2+ and phenol were measured to validate the simulation against experimental results. Combining wet chemistry with computational modeling, this experiment reinforces students’ understanding of kinetics and radical chemistry. Its modest skill requirements and efficient time allocation make it a practical, transferable addition to comprehensive environmental chemistry lab curricula.
文章引用：吉冰冰, 郭振, 张弈辉, 孙红光, 尹恩强. 反应动力学模拟在环境化学实验教学中的应用[J]. 教育进展, 2026, 16(8): 442-449. https://doi.org/10.12677/ae.2026.1681650

参考文献

[1] 南京大学化学实验教学组. 大学化学实验[M]. 第3版. 北京: 高等教育出版社, 2018: 185-187.
[2] 毕韶丹, 周丽, 王凯, 王雷, 王昕. 物理化学实验[M]. 北京: 清华大学出版社, 2018: 123-128.
[3] 董德明, 朱利中. 环境化学实验[M]. 第2版. 北京: 高等教育出版社, 2009: 70-73.
[4] Peng, Z. and Jimenez, J.L. (2019) Kinsim: A Research-Grade, User-Friendly, Visual Kinetics Simulator for Chemical-Kinetics and Environmental-Chemistry Teaching. Journal of Chemical Education, 96, 806-811.
https://doi.org/10.1021/acs.jchemed.9b00033
[5] 陈广慧, 林旺强, 姜昆. 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[J]. 大学化学, 2020, 35(12): 143-149.
[6] Sun, T. and Zhao, Z. (2023) Teaching Dynamic Mechanisms in Signaling Pathways Using Computational Simulations. Education for Chemical Engineers, 42, 20-30.
https://doi.org/10.1016/j.ece.2022.11.002
[7] Gallard, H., de Laat, J. and Legube, B. (1998) Influence du pH sur la vitesse d’oxydation de compose’s organiques par FeII/H2O2. Me’canismes re’actionnels et mode’lisation. New Journal of Chemistry, 22, 263-268.
https://doi.org/10.1039/a708335a
[8] Kochany, J. and Bolton, J.R. (1992) Mechanism of Photodegradation of Aqueous Organic Pollutants. 2. Measurement of the Primary Rate Constants for Reaction of Hydroxyl Radicals with Benzene and Some Halobenzenes Using an EPR Spin-Trapping Method Following the Photolysis of Hydrogen Peroxide. Environmental Science & Technology, 26, 262-265.
https://doi.org/10.1021/es00026a004
[9] Pan, X., Schuchmann, M.N. and von Sonntag, C. (1993) Oxidation of Benzene by the OH Radical. A Product and Pulse Radiolysis Study in Oxygenated Aqueous Solution. Journal of the Chemical Society, Perkin Transactions 2, 22, 289-297.
https://doi.org/10.1039/p29930000289
[10] Ilan, Y. and Rabani, J. (1976) On Some Fundamental Reactions in Radiation Chemistry: Nanosecond Pulse Radiolysis. International Journal for Radiation Physics and Chemistry, 8, 609-611.
https://doi.org/10.1016/0020-7055(76)90030-9
[11] Land, E.J. and Ebert, M. (1967) Pulse Radiolysis Studies of Aqueous Phenol. Water Elimination from Dihydroxycyclohexadienyl Radicals to Form Phenoxyl. Transactions of the Faraday Society, 63, 1181-1190.
https://doi.org/10.1039/tf9676301181

为你推荐