@article {ZHANG2020138696,
	title = {Synchronous degradation of aqueous benzotriazole and bromate reduction in catalytic ozonation: Effect of matrix factor, degradation mechanism and application strategy in water treatment},
	journal = {Science of The Total Environment},
	volume = {727},
	year = {2020},
	pages = {138696},
	abstract = {Ozone-based technologies are used for micro-pollutants removal in wastewater treatment. However, the generation of the toxic by-product bromate (BrO3-) is of a great concern. LaCoO3 (LCO) catalytic ozonation has been used to overcome this significant drawback in the sole ozonation, achieving better BrO3- elimination efficiency. However, a key challenge is how to enhance micro-pollutant (benzotriazole, BZA) degradation efficiency and to eliminate formed BrO3- synchronously under various water qualities in drinking water or wastewater treatment. Therefore, the objective of this study is to propose a practical strategy of BZA removal and BrO3- reduction synchronously in water or wastewater treatment. In this study, important factors influencing BZA removal and BrO3- reduction were investigated, including [catalyst], [BZA], initial pH solution, [NH4+-N] and [(bi)carbonate alkalinity]. Based on the performance and mechanism of these effects, a practical strategy for BZA degradation and BrO3- elimination with and without Br- in the influent was developed. Additionally, the density functional theory (DFT) calculation successfully predicted the attack site on BZA by molecular ozone and formed hydroxyl radical (HO{\textperiodcentered}) during LCO catalytic ozonation. Fukui indexes of f+ and f0 were calculated to forecast direct ozone molecule and HO{\textperiodcentered} attack, respectively. Combination of DFT calculation with intermediates that identified through liquid chromatography-quadrupole time-of-flight mass spectrometry (LC-Q-TOF-MS), BZA degradation pathway was established more accurately. Additionally, four new intermediates were identified in this study. Overall, this study proposes a useful strategy for synchronous micro-pollutants degradation and BrO3- elimination, while also suggesting the feasibility of LCO catalytic ozonation for water or wastewater purification.},
	keywords = {Benzotriazole, Bromate, Catalytic ozonation, Matrix factor, Theoretical computations},
	issn = {0048-9697},
	doi = {https://doi.org/10.1016/j.scitotenv.2020.138696},
	url = {http://www.sciencedirect.com/science/article/pii/S0048969720322130},
	author = {Yuting Zhang and Ji, Haodong and Liu, Wen and Zhenbei Wang and Zilong Song and Yiping Wang and Liu, Chao and Bingbing Xu and Fei Qi}
}
