Insights in the Aqueous and Adsorbed Photocatalytic Degradation of Carbamazepine by a Biosourced Composite: Kinetics, Mechanisms and DFT Calculations

Although the degradation of carbamazepine (CBZ) in aqueous phase was widely studied for a better comprehension its photocatalytic behavior solution, knowledge about photodegradation adsorbed on solid surfaces is yet very limited. In this work, combination two processes (adsorption and photocatalysis) has been applied CBZ TiO2 activated carbon AC/TiO2 phase. The efficiency could reach 100%, 99% dissolved parts, respectively. Moreover, mineralization starts at 4 h irradiation. Hydroxy radical (·OH) an essential role degradation, It accompanies synergistic effect photogenerated hole (h+) oxygen active species during reaction. Thereafter, transformation products possible pathways were identified by LC/MS-Qtof. Density functional theory calculation successfully predicts mechanism molecule means Fukui indexes, including ring hydroxylation, photocyclization, C–C C–N bond cleavage processes.