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

Ma, Yuhui
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Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China

Huo, Yanru
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Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China

Zhou, Yuxin
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Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China

Wen, Nuan
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Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China

Gu, Qingyuan
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Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China

Chen, Meichao
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Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China

He, Maoxia
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Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China

Xie, Ju
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h-index: 0
机构:
Yangzhou Univ, Sch Chem & Chem Engn, Yangzhou 225002, Peoples R China Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China
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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Fudan Univ, Dept Environm Sci & Engn, Shanghai 200433, Peoples R China Sun Yat Sen Univ, Guangdong Prov Key Lab Environm Pollut Control &, Sch Environm Sci & Engn, Guangzhou 510275, Guangdong, Peoples R China

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论文数: 0 引用数: 0
h-index: 0
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Sun Yat Sen Univ, Guangdong Prov Key Lab Environm Pollut Control &, Sch Environm Sci & Engn, Guangzhou 510275, Guangdong, Peoples R China Sun Yat Sen Univ, Guangdong Prov Key Lab Environm Pollut Control &, Sch Environm Sci & Engn, Guangzhou 510275, Guangdong, Peoples R China

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论文数: 0 引用数: 0
h-index: 0
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Sun Yat Sen Univ, Guangdong Prov Key Lab Environm Pollut Control &, Sch Environm Sci & Engn, Guangzhou 510275, Guangdong, Peoples R China Sun Yat Sen Univ, Guangdong Prov Key Lab Environm Pollut Control &, Sch Environm Sci & Engn, Guangzhou 510275, Guangdong, Peoples R China
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Galileo Acad Sci & Technol, 1150 Francisco St, San Francisco, CA 94109 USA Stanford Univ, Dept Civil & Environm Engn, 473 Via Ortega, Stanford, CA 94305 USA

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Lamar Univ, Dept Civil & Environm Engn, Beaumont, TX 77710 USA Montclair State Univ, Dept Earth & Environm Studies, Montclair, NJ 07043 USA