Experimental and theoretical study on Fe(VI) oxidative degradation of dichlorophen in water: Kinetics and reaction mechanisms.

被引：10

作者：

Fei, Yi ^{[1
]}

Liu, Zhuangzhuang ^{[1
]}

Meng, Liang ^{[1
]}

Liu, Guoqiang ^{[2
]}

Kong, Deyang ^{[2
]}

Pan, Xiaoxue ^{[3
]}

Zhu, Feng ^{[4
]}

Lu, Junhe ^{[1
]}

Chen, Jing ^{[1
]}

机构：

[1] Nanjing Agr Univ, Dept Environm Sci & Engn, Nanjing 210095, Peoples R China

[2] Minist Ecol & Environm China, Nanjing Inst Environm Sci, Nanjing 210042, Peoples R China

[3] Anhui Univ, Sch Resources & Environm Engn, Hefei 230601, Anhui, Peoples R China

[4] Jiangsu Prov Ctr Dis Control & Prevent, Nanjing 210023, Peoples R China

来源：

ENVIRONMENTAL POLLUTION | 2022年 / 306卷

关键词：

Dichlorophen; Ferrate; Reaction pathways; Density functional theory; Products; BISPHENOL-A; FERRATE(VI); PRODUCTS; REMOVAL; TRANSFORMATION; CHLOROPHENOLS; PERFORMANCE; PATHWAY; PH;

D O I：

10.1016/j.envpol.2022.119394

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

Dichlorophenol (DCP), a commonly used fungicide and insecticide, is widely found in waters and wastewaters. Herein, the degradation of DCP by Ferrate (Fe(VI)) in different matrices was comprehensively investigated. In pure water, a complete removal of DCP was achieved in 300 s at [Fe(VI)]:[DCP] molar ratio of 2:1. The presence of HA (10 mg L-1) inhibited DCP degradation to a certain extent. A total of twenty degradation products were identified by HPLC/MS analysis. Based on these products, reaction pathways including the cleavage of C-C bridge bond, hydroxylation, and radical coupling were proposed. These reaction mechanisms were further rationalized by theoretical calculations. The analyses of Wiberg bond orders and transition state indicated that C7-C8 bond was the most vulnerable site for cleavage, and C12 site was the most likely site for hydroxyl addition. Mulliken atomic spin densities distribution suggested that self-coupling products was easily generated via C-O-C coupling ways. Finally, the feasibility of applying Fe(VI) to degrade DCP (20 mu M) in a municipal wastewater effluent and a lake water was evaluated and verified. The findings in this study are of relevance in designing Fe (VI)-based treatment strategy for chlorine-containing persistent pesticides.

引用

页数：8