Abstract
The kinetics of the photocatalytic degradation of aniline has been investigated experimentally. The reactions have been carried out in a batch‐type photoreactor using TiO2 P25 Degussa as the photocatalyst. The effects of the catalyst loading, H2O2, the initial concentration of aniline and the added Cu2+ ions on the degradation rate have been determined. With the intention of predicting the primary intermediates, geometry optimization of the aniline molecule has been performed with the semi‐empirical PM3 method. The molecular orbital calculations have been carried out by an SCF method using RHF formalism. Based on the results of the quantum mechanical calculations, two different primary intermediates have been determined.
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