Journal
JOURNAL OF HAZARDOUS MATERIALS
Volume 391, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.jhazmat.2020.122228
Keywords
Bisulfite; DFT calculations; Kinetics; Persulfate; Reactive oxygen species
Categories
Funding
- National Natural Science Foundation of China [51878422]
- Science and Technology Projects of Sichuan Province [2018 HH0104]
- Science & Technology Bureau of Chengdu [2017-GH02-00010-HZ]
- Innovation Spark Project in Sichuan University [2082604401254]
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Though natural reducing agents have been demonstrated as desirable catalysts for environmental remediation, the mechanism of catalytic activation of persulfate (PS) by bisulfite (S(IV)) remains unclear. In this study, an emerging contaminant bisphenol AF (BPAF) was employed as the target compound to examine the activation and degradation mechanism in PS/S(IV) system. Sulfate radical (SO4 center dot-) was evidenced as the dominant radical accounting for BPAF degradation via quantitative analysis, while hydroxyl radical (center dot OH) and singlet oxygen (O-1(2)) were minor contributors. Superoxide radical (O-2 center dot-) was identified as an intermediate radical in promoting BPAF removal through quenching experiments and electron paramagnetic resonance analysis. Tests in oxygenrich and oxygen-deficient systems were conducted and the results were contrasted to elucidate the important role of oxygen in BPAF degradation and SO4 center dot--formation. In addition, the effect of Dissolved Oxygen (DO) was simulated using two separate kinetic models. Decomposition mechanism of BPAF was afterwards clarified via the density-functional theory calculations using Fukui index to predict the vulnerable sites and the intermediate products. This study provides a mechanistic understanding of the activation of PS/S(IV) system on the BPAF removal, especially the critical role of DO and O-2 center dot- in SO4 center dot- generation.
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