Enhanced formation of trihalomethane disinfection byproducts from halobenzoquinones under combined UV/chlorine conditions

Zhao, He1,2; Huang, Ching-Hua2; Zhong, Chen1; Du, Penghui1,3; Sun, Peizhe2,4

2022-06-01

10.1007/s11783-021-1510-7

Frontiers of Environmental Science & Engineering   影响因子和分区

2095-2201

2095-221X

Halobenzoquinones (HBQs) are highly toxic disinfection byproducts (DBPs) and are also precursors of other DBPs such as trihalomethanes (THMs). The formation of THMs from HBQs during chlorine-only and UV/chlorine processes with or without bromide was investigated experimentally. Density functional theory (DFT) reactivity descriptors were also applied to predict the nucleophilic/electrophilic reactive sites on HBQs and intermediates. The results were combined to explain the different behaviors of 2,6-dichloro-1,4-benzoquinone (2,6-DCBQ) and tetrachloro-1,4-benzoquinone (TCBQ) and to propose mechanism for the promoting roles of UV and hydroxylation of HBQs in THMs formation. Under UV/chlorine, UV significantly enhanced THMs formation from 2,6-DCBQ compared to chlorine-only, mainly due to the production of OH-DCBQ*. Excited 2,6-DCBQ* by UV benefited nucleophilic hydrolysis to produce OH-DCBQ*, which favored electrophilic attack by chlorine, thereby inducing more THMs formation. UV/chlorine modestly promoted THMs formation from TCBQ compared to chlorine-only. Hydroxylation of TCBQ and UV irradiation were both important in promoting THMs formation due to the high electrophilic property of OH-TCBQ and TCBQ*. Meanwhile, hydroxylation of HBQs and CHCl3 formation were enhanced at higher pH. This work suggested that enhanced formation of THMs from HBQs should be considered in the application of combined UV and chlorine processes.

Halobenzoquinone Trihalomethane Chlorine disinfection UV irradiation Disinfection byproducts Combined UV/chlorine

SCI ; EI

英语

其他

National Natural Science Foundation of China[51978643] ; Youth Innovation Promotion Association, CAS[2014037]

Engineering ; Environmental Sciences & Ecology

Engineering, Environmental ; Environmental Sciences

WOS:000706141500001

HIGHER EDUCATION PRESS

20214211021749

Chlorine ; Chlorine compounds ; Density functional theory ; Disinfection ; Hydroxylation

Chemical Reactions:802.2 ; Chemical Products Generally:804 ; Probability Theory:922.1 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4

2-s2.0-85116941537

Web of Science

1.Chinese Acad Sci, Beijing Engn Res Ctr Proc Pollut Control, Inst Proc Engn, Div Environm Technol & Engn, Beijing 100190, Peoples R China
2.Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA
3.Southern Univ Sci & Technol, Sch Environm Sci & Engn, State Environm Protect Key Lab Integrated Surface, Shenzhen 518055, Peoples R China
4.Tianjin Univ, Sch Environm Sci & Engn, Tianjin 300072, Peoples R China

Zhao, He,Huang, Ching-Hua,Zhong, Chen,et al. Enhanced formation of trihalomethane disinfection byproducts from halobenzoquinones under combined UV/chlorine conditions[J]. Frontiers of Environmental Science & Engineering,2022,16(6).

Zhao, He,Huang, Ching-Hua,Zhong, Chen,Du, Penghui,&Sun, Peizhe.(2022).Enhanced formation of trihalomethane disinfection byproducts from halobenzoquinones under combined UV/chlorine conditions.Frontiers of Environmental Science & Engineering,16(6).

Zhao, He,et al."Enhanced formation of trihalomethane disinfection byproducts from halobenzoquinones under combined UV/chlorine conditions".Frontiers of Environmental Science & Engineering 16.6(2022).