高级氧化体系中自由基模拟的研究进展

Research progress on radical simulation in advanced oxidation processes

自由基模拟因可以深入了解高级氧化技术(AOPs)的内部机制及动力学规律而受到广泛关注。利用准稳态模型可以较好地模拟体系中的自由基分布,深入了解AOPs体系中的反应机制;基于第一性原理的动力学模型可以有效地模拟体系内不同物质的浓度变化,实现水质变化条件下体系中污染物降解的动态预测。自由基模拟已在基于‧OH、SO_(4)·-及含氯自由基的AOPs体系内广泛应用,最新的研究表明自由基模拟可同样推广至基于有机自由基的AOPs体系。综述了自由基准稳态模型在纯水体系及复杂基质中的应用情况,总结了基于第一性原理的动力学模型在不同AOPs体系中的应用及技术发展,并初步探讨了不同模型的相关技术性问题。

Due to the assistance in understanding reaction kinetics and mechanism of advanced oxidation processes(AOPs),radicals simulation has attracted increasing attention.The pseudo-steady-state model can be used to better simulate the radicals distribution and further understand the reaction mechanism in AOPs system.Employing the first-principles kinetic model can explore the species variation in AOPs and predict the pollutants degradation in dif⁃ferent water matrix.Radicals simulation has been widely used in different AOPs systems based on‧OH,SO_(4)·-and chlorine radicals.Recent researches demonstrated that the radicals simulation could also been extended to AOPs based on organic radicals.The applications of pseudo-steady-state model in pure water and different complex matrix were reviewed.The applications and technological developments of first-principles kinetic model in different AOPs were summarized.The technical problems about the kinetic models were discussed.