文献类型：期刊文献

英文题名：Formation of chloronitrophenols upon sulfate radical-based oxidation of 2-chlorophenol in the presence of nitrite

作者：Zhao, Xulei[1];Zhang, Teng[1];Lu, Junhe[1];Zhou, Lei[2];Chovelon, Jean-Marc[3];Ji, Yuefei[1]

机构：[1]Nanjing Agr Univ, Coll Resources & Environm Sci, Nanjing 210095, Peoples R China;[2]East China Univ Sci & Technol, Sch Resources & Environm Engn, State Environm Protect Key Lab Environm Risk Asse, Shanghai 200237, Peoples R China;[3]Univ Claude Bernard Lyon 1, IRCELYON, CNRS, Univ Lyon, F-69626 Villeurbanne, France

年份：2020

卷号：261

外文期刊名：ENVIRONMENTAL POLLUTION

收录：;EI(收录号：20200908234966);WOS:【SCI-EXPANDED(收录号:WOS:000531106500091)】；

基金：The authors gratefully acknowledge financial support from the National Natural Science Foundation of China (Grant No. 21607077). We greatly appreciate Ms Jianhua Li from Nanjing University of Science and Technology for her help with ECOSAR calculation. The content of the paper does not necessarily represent the views of the funding agencies.

语种：英文

外文关键词：2-Chlorophenol; Chloronitrophenol; Nitrating agent; Nitrogen dioxide radical; Sulfate radical

摘要：Sulfate radical (SO4 center dot(-))-based advanced oxidation processes (SR-AOPs) are promising in-situ chemical oxidation technologies widely applied for soil/groundwater remediation. The presence of non-target water constituents may interfere the abatement of contaminants by SR-AOPs as well as result in the formation of unintended byproducts. Herein, we reported the formation of toxic chloronitrophenols during thermally activated persulfate oxidation of 2-chlorophenol (2CP) in the presence of nitrite (NO2-). 2-Chloro-4-nitrophenol (2C4NP) and 2-chloro-6-nitrophenol (2C6NP) were identified as nitrated byproducts of 2CP with total yield up to 90%. The formation of nitrated byproducts is a result of coupling reaction between 2CP phenoxyl radical (CIPhO center dot) and nitrogen dioxide radical (NO2 center dot). As a critical step, the formation of CIPhO center dot was supported by density functional theory (DFT) computation. Both 2C4NP and 2C6NP could convert to 2-chloro-4,6-dinitrophenol (2C46DNP) upon further treatment via a denitration-renitration process. The formation rate of 2C4NP and 2C6NP was closely dependent on the concentration of NO2-, solution pH, and natural water constituents. ECOSAR calculation suggests that chloronitrophenols are generally more hydrophobic and ecotoxic than 2CP. Our result therefore reveals the potential risks in the abatement of chlorophenols by SR-AOP, particularly when high level of NO2- is present in water matrix. (C) 2020 Elsevier Ltd. All rights reserved.