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Elimination of chloramphenicol through electro-fenton-like reaction: Reaction mechanism and electron transfer pathway
npj Clean Water ( IF 11.4 ) Pub Date : 2023-05-13 , DOI: 10.1038/s41545-023-00255-9
Meng Li, Ji-Liang Cheng, Jiayu Song, Zhao-Xin Zhang, Qiong Wu, Hai-Ming Zhao, Nai-Xian Feng, Wei Han, King Lun Yeung, Shaoqi Zhou, Ce-Hui Mo

An electro-Fenton-like reaction process relying on peroxymonosulfate activation can stably degrade chloramphenicol (CAP) within 16 min, where the kinetic rate constant can be as high as 0.089 min−1 and the energy consumption value can be as low as 25.1 kWh•m^−3. Evidence indicated that the use of a Na2SO4 solution as the electrolyte can enhance CAP degradation due to rapid electron transfer properties. The generated electrons and active free radicals are responsible for CAP degradation, and the electrons can be transferred from the highest occupied molecular orbital of CAP to the lowest unoccupied molecular orbital of peroxymonosulfate via the PbO2 electrode. Density functional theory calculations based on Fukui index analysis elucidated the key attack sites in CAP; moreover, reaction-free energy calculations shed light on potential CAP degradation pathways. Not only does this study afford an insight into the activation of peroxymonosulfate for organic pollutant degradation but also provides an innovative technology with potential applications in wastewater purification.



中文翻译:

类电子芬顿反应消除氯霉素:反应机理和电子传递途径

依靠过一硫酸盐活化的类电芬顿反应过程可在16分钟内稳定降解氯霉素(CAP),动力学速率常数可高达0.089 min -1 ,能耗值可低至25.1 kWh • m^ -3。有证据表明,使用 Na 2 SO 4溶液作为电解质可以提高 CAP 的降解,因为它具有快速的电子转移特性。产生的电子和活性自由基负责 CAP 降解,电子可以通过 PbO 2 从 CAP 的最高占据分子轨道转移到过氧单硫酸盐的最低未占据分子轨道电极。基于Fukui指数分析的密度泛函理论计算阐明了CAP中的关键攻击点;此外,无反应能量计算揭示了潜在的 CAP 降解途径。这项研究不仅深入了解过一硫酸盐对有机污染物降解的活化作用,而且还提供了一种在废水净化中具有潜在应用的创新技术。

更新日期:2023-05-13
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