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- W3123302017 endingPage "113162" @default.
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- W3123302017 abstract "UV/H2O2 oxidation is a viable technology to degrade micropollutants in water; however, the formation of toxic byproducts may hamper its application. Herein, we explored the removal of chloronitrobenzenes (CNBs) by UV/H2O2 under typical water treatment conditions. Results show that increasing H2O2 dose favored the removal of CNBs due to increased concentration of HO formed by H2O2 photolysis. Degradation of 1-chloro-3-nitrobenzene (1C3NB) in the UV/H2O2 process generated hydroxylated, hydroxyl-denitration, and nitrated products. The formation of the phenolic products can be well fitted by a consecutive reaction kinetic equation assuming a steady state of HO. According to the yields of different hydroxylated products and energy barriers computed by density functional theory (DFT), the sites of 1C3NB molecule susceptible to HO attack followed the order of 6C < 4C < 2C < 3C. The nitrated byproduct, 1-chloro-3,5-dinitrobenzene (1C35DNB), was generated from the reaction between a nitrogen dioxide radical (NO2) derived from the denitration of parent compound and a nitrohydroxycyclohexadienyl radical formed by the addition of HO to the parent compound. Dissolved natural organic matter could shield lights and scavenge HO, thus inhibiting the degradation of 1C3NB. By measuring scavenging capacity (ΣkHO,SiCSi) following a “RHO,UV concept” method, as well as taking light-shielding effects into account, a kinetic model was constructed to predict the removal of 1C3NB by UV/H2O2 in real water matrices. Overall, this study indicates the effectiveness of UV/H2O2 in the oxidation of chloronitrobenzenes in waters; however, the formation of nitrated byproducts should be scrutinized." @default.
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- W3123302017 date "2021-04-01" @default.
- W3123302017 modified "2023-10-17" @default.
- W3123302017 title "UV/H2O2 oxidation of chloronitrobenzenes in waters revisited: Hydroxyl radical induced self-nitration" @default.
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- W3123302017 doi "https://doi.org/10.1016/j.jphotochem.2021.113162" @default.
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