Kinetics and mechanism of photocatalytic degradation of metobromuron by TiO2 in simulated sunlight

Kinetics and mechanism of photocatalytic degradation of metobromuron by TiO2 in simulated sunlight The kinetics of photocatalytic degradation of metobromuron in aqueous solution, with TiO2 as photocatalyst under simulated sunlight irradiation, have been systematically investigated. The single-variable-at-a-time method and the central composite design based on response surface methodology were used to study the individual and synergistic effects of several classical conditions on the efficiency of photocatalysis. Three different conditions, TiO2 concentration, pH, and initial concentration of metobromuron, were found to independently determine the efficiency of degradation. The optimum degradation conditions were: TiO2 concentration 3.00 g/L, pH 7.88, and initial concentration of metobromuron 60.23 μM. In addition, a mechanism of degradation of metobromuron is tentatively proposed on the basis of the experimental results and theoretical calculation of frontier electron densities and point charges. The results suggest that substitution of the Br atom, addition of ·OH radicals, and the cleavage of urea side chain are the predominant degradation pathways during the initial stage of photocatalytic degradation. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Research on Chemical Intermediates Springer Journals

Kinetics and mechanism of photocatalytic degradation of metobromuron by TiO2 in simulated sunlight

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Publisher
Springer Journals
Copyright
Copyright © 2012 by Springer Science+Business Media Dordrecht
Subject
Chemistry; Catalysis; Physical Chemistry; Inorganic Chemistry
ISSN
0922-6168
eISSN
1568-5675
D.O.I.
10.1007/s11164-012-0957-3
Publisher site
See Article on Publisher Site

Abstract

The kinetics of photocatalytic degradation of metobromuron in aqueous solution, with TiO2 as photocatalyst under simulated sunlight irradiation, have been systematically investigated. The single-variable-at-a-time method and the central composite design based on response surface methodology were used to study the individual and synergistic effects of several classical conditions on the efficiency of photocatalysis. Three different conditions, TiO2 concentration, pH, and initial concentration of metobromuron, were found to independently determine the efficiency of degradation. The optimum degradation conditions were: TiO2 concentration 3.00 g/L, pH 7.88, and initial concentration of metobromuron 60.23 μM. In addition, a mechanism of degradation of metobromuron is tentatively proposed on the basis of the experimental results and theoretical calculation of frontier electron densities and point charges. The results suggest that substitution of the Br atom, addition of ·OH radicals, and the cleavage of urea side chain are the predominant degradation pathways during the initial stage of photocatalytic degradation.

Journal

Research on Chemical IntermediatesSpringer Journals

Published: Dec 11, 2012

References

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