PMID- 35452989 OWN - NLM STAT- MEDLINE DCOM- 20220517 LR - 20220519 IS - 1873-3336 (Electronic) IS - 0304-3894 (Linking) VI - 434 DP - 2022 Jul 15 TI - Humic acid promoted activation of peroxymonosulfate by Fe(3)S(4) for degradation of 2,4,6-trichlorophenol: An experimental and theoretical study. PG - 128913 LID - S0304-3894(22)00702-6 [pii] LID - 10.1016/j.jhazmat.2022.128913 [doi] AB - Chlorophenols are difficult to degrade and biohazardous in the natural environment. This study demonstrated that humic acid (HA) could promote Fe(3)S(4) activation of peroxymonosulfate (PMS) to degrade 2,4,6-trichlorophenol (TCP), the degradation efficiency of TCP was increased by 33%. The system of Fe(3)S(4)-HA/PMS produced more reactive oxygen species, and *OH was the dominant ROS. The genealogy of iron oxides together with S(0) on the Fe(3)S(4) surface inhibited PMS activation leading to the significant reduction of TCP degraded (< 70%). These problems could be solved successfully through introducing HA, which facilitated electron transfer and increased the continuous release of iron ions by 2 times. In accordance with the determined density functional theory (DFT), the degradation pathway was put forward, which indicated that TCP dechlorination and oxidation to 2,6-dichloro-1,4-benzoquinone constituted the main degradation pathway. Furthermore, the intermediates that were produced in the main degradation processes of TCP showed lower toxicity than TCP according to results that were obtained utilizing the calculations of quantitative structure-activity relationship (QSAR) together with Toxicity Estimation Software Tool (TEST). Thus, the Fe(3)S(4)-HA/PMS system was demonstrated to be an efficient and safe technology for organic pollutant degradation in contaminated groundwater and surface water environments. CI - Copyright (c) 2022 Elsevier B.V. All rights reserved. FAU - Zhang, Jin AU - Zhang J AD - Institute for Environmental pollution and health, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, PR China. FAU - Wang, Chen AU - Wang C AD - Institute for Environmental pollution and health, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, PR China. Electronic address: wangchen0227@shu.edu.cn. FAU - Huang, Nannan AU - Huang N AD - State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 10012, China. FAU - Xiang, Minghui AU - Xiang M AD - Institute for Environmental pollution and health, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, PR China. FAU - Jin, Lide AU - Jin L AD - Institute for Environmental pollution and health, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, PR China. FAU - Yang, Zhiyuan AU - Yang Z AD - Institute for Environmental pollution and health, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, PR China. FAU - Li, Siyang AU - Li S AD - Institute for Environmental pollution and health, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, PR China. FAU - Lu, Zhen AU - Lu Z AD - Institute for Environmental pollution and health, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, PR China. FAU - Shi, Chongli AU - Shi C AD - Institute for Environmental pollution and health, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, PR China. FAU - Cheng, Biao AU - Cheng B AD - Institute for Environmental pollution and health, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, PR China. FAU - Xie, Haijiao AU - Xie H AD - Hangzhou Yanqu Information Technology Co., Ltd., Hangzhou, Zhejiang Province, 310003, PR China. FAU - Li, Hui AU - Li H AD - Institute for Environmental pollution and health, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, PR China. Electronic address: huili2018@shu.edu.cn. LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20220414 PL - Netherlands TA - J Hazard Mater JT - Journal of hazardous materials JID - 9422688 RN - 0 (Chlorophenols) RN - 0 (Humic Substances) RN - 0 (Peroxides) RN - 0 (Sulfides) RN - 0 (greigite) RN - 22047-43-4 (peroxymonosulfate) RN - E1UOL152H7 (Iron) RN - MHS8C5BAUZ (2,4,6-trichlorophenol) SB - IM MH - *Chlorophenols MH - *Humic Substances MH - Iron MH - Models, Theoretical MH - Peroxides MH - Sulfides OTO - NOTNLM OT - 2,4,6-trichlorophenol OT - Fe(3)S(4)-HA OT - Peroxymonosulfate OT - Reusability EDAT- 2022/04/23 06:00 MHDA- 2022/05/18 06:00 CRDT- 2022/04/22 20:13 PHST- 2022/02/17 00:00 [received] PHST- 2022/04/05 00:00 [revised] PHST- 2022/04/11 00:00 [accepted] PHST- 2022/04/23 06:00 [pubmed] PHST- 2022/05/18 06:00 [medline] PHST- 2022/04/22 20:13 [entrez] AID - S0304-3894(22)00702-6 [pii] AID - 10.1016/j.jhazmat.2022.128913 [doi] PST - ppublish SO - J Hazard Mater. 2022 Jul 15;434:128913. doi: 10.1016/j.jhazmat.2022.128913. Epub 2022 Apr 14.