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.
Research on Chemical Intermediates – Springer Journals
Published: Dec 11, 2012
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