The mechanisms of self-inhibited reactions during hydroxyl radical-induced degradation of aniline disinfection by products

被引:0
作者
Ma, Yuhui [1 ]
Huo, Yanru [1 ]
Zhou, Yuxin [1 ]
Wen, Nuan [1 ]
Gu, Qingyuan [1 ]
Chen, Meichao [1 ]
He, Maoxia [1 ]
Xie, Ju [2 ]
机构
[1] Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China
[2] Yangzhou Univ, Sch Chem & Chem Engn, Yangzhou 225002, Peoples R China
基金
中国国家自然科学基金;
关键词
Molecular orbital theory; Hydroxyl radical; Co-degradation efficiency; Density functional theory; Self-inhibited reaction; OXIDATION PROCESSES AOPS; BY-PRODUCTS; DENSITY FUNCTIONALS; RATE CONSTANTS; DBPS; CYTOTOXICITY; CHEMISTRY; TOXICITY; ION;
D O I
10.1016/j.jhazmat.2025.138568
中图分类号
X [环境科学、安全科学];
学科分类号
08 ; 0830 ;
摘要
Municipal wastewater post-treatment processes can effectively reduce the concentration of highly toxic disinfection by-products (DBPs) to minimize their ecological hazards. In this study, the reaction mechanisms and kinetics of 38 aniline disinfection by-products (AN-DBPs) degraded by .OH in the post-treatment of municipal wastewater were investigated. Results showed that the apparent second-order reaction rate constants for the degradation of AN-DBPs by .OH ranged from 1.25 x 108 M-1 s-1 to 1.71 x 1010 M-1 s-1, and the products generated were mainly hydroxyl adducts (AN-OH) and AN-DBPs cation radicals (AN-DBPs+center dot). Based on the differences in the reduction potentials (AE0.) of AN-DBPs and their degradation products, we proposed two selfinhibited reaction pathways in the degradation process. AN-OH and AN-DBPs can reduce AN-DBPs+center dot to the parent compound via single electron transfer reactions. AN-OH and AN-DBPs with fewer halogen atoms were more likely to inhibit AN-DBPs+center dot. It was noteworthy that self-inhibited reactions would occur when .0Hdominated processes were used to degrade AN-DBPs. In addition, Cl- in municipal wastewater usually has little effect on the self-inhibition efficiency, while the presence of Br-, HCO3, and NHt usually promotes the self inhibition reaction. These findings provide important theoretical insights for the effective removal of AN-DBP from water bodies.
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页数:13
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