| Kinetic and mechanistic insights into the abatement of clofibric acid by integrated UV/ozone/peroxydisulfate process: A modeling and theoretical study | |
| Qin, Wenlei; Lin, Zhuang; Dong, Huiyu; Yuan, Xiangjuan; Qiang, Zhimin; Liu, Shaogang; Xia, Dongsheng | |
| 2020-11-01 | |
| Source Publication | WATER RESEARCH
 |
| ISSN | 0043-1354 |
| Volume | 186Pages:1-10 |
| Abstract | The feasibility of integrated UV/ozone (O-3)/peroxydisulfate (PDS) process for abatement of clofibric acid (CA) was systematically explored in this study with focus on the kinetic simulation and oxidation mechanisms. The results indicated the UV/O-3/PDS process was of prominent treatment capability with pseudo-first-order rate constant of CA degradation increased by 65.9% and 86.0% compared to UV/O-3 and UV/PDS processes, respectively. A chemical kinetic model was developed and successfully employed to predict CA elimination as well as the specific contributions of UV, hydroxyl radical ((OH)-O-center dot) and sulfate radical (SO4 center dot-) under different PDS dosage, pH, natural organic matters, bicarbonate and chloride conditions in UV/O-3/PDS process. According to quantum chemical calculation, radical addition on ortho site of isopropoxy substituent and single electron transfer were corroborated to be the dominant reaction channels for the oxidation of CA by (OH)-O-center dot and SO4 center dot-, respectively. Additionally, the reactive sites and transformation pathways of CA were proposed via Fukui function calculation and UPLC-Q-TOF-MS analysis. Moreover, the performance of UV/O-3/PDS process was further evaluated with regard to the energy demand and bromate formation. This study first proposed a kinetic model in UV/O-3/PDS process and elucidated the regioselectivity and products distribution of CA during oxidative treatment. (c) 2020 Elsevier Ltd. All rights reserved. |
| Department | 环境水质学国家重点实验室 |
| Keyword | UV Ozone Peroxydisulfate Kinetic modeling Quantum chemical calculation |
| Document Type | 期刊论文 |
| Identifier | https://ir.rcees.ac.cn/handle/311016/44955 |
| Collection | 环境水质学国家重点实验室 |
| Recommended Citation GB/T 7714 | Qin, Wenlei,Lin, Zhuang,Dong, Huiyu,et al. Kinetic and mechanistic insights into the abatement of clofibric acid by integrated UV/ozone/peroxydisulfate process: A modeling and theoretical study[J]. WATER RESEARCH,2020,186:1-10. |
| APA | Qin, Wenlei.,Lin, Zhuang.,Dong, Huiyu.,Yuan, Xiangjuan.,Qiang, Zhimin.,...&Xia, Dongsheng.(2020).Kinetic and mechanistic insights into the abatement of clofibric acid by integrated UV/ozone/peroxydisulfate process: A modeling and theoretical study.WATER RESEARCH,186,1-10. |
| MLA | Qin, Wenlei,et al."Kinetic and mechanistic insights into the abatement of clofibric acid by integrated UV/ozone/peroxydisulfate process: A modeling and theoretical study".WATER RESEARCH 186(2020):1-10. |
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| Kinetic and mechanis（1559KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
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