Studies on the kinetics of doxazosin degradation in simulated environmental conditions and selected advanced oxidation processes

Abstract

The photochemical behavior of doxazosin (DOX) in simulated environmental conditions using natural waters taken from local rivers as a solvent was studied. The chemical characteristics of applied waters was done and a correlation analysis was used to explain the impact of individual parameters of matrix on the rate of the DOX degradation. It was stated that DOX is a photoliable compound in an aqueous environment. Its degradation is promoted by basic medium, presence of environmentally important ions such as Cl-, NO3-, SO42- and organic matter. The kinetics of DOX reactions with OH- and SO4- radicals were examined individually. The UV/H2O2, classical Fenton and photo-Fenton processes, were applied for the generation of hydroxyl radicals while the UV/VIS:Fe2(SO4)3:Na2SO2 system was employed for production of SO4- radicals. The obtained results pointed that photo-Fenton, as well as UV/VIS:Fe2(SO4)3:Na2SO2, are very reactive in ratio to DOX, leading to its complete degradation in a short time. A quantitative density functional theory (DFT) mechanistic study was carried out in order to explain the molecular mechanism of DOX degradation using the GAUSSIAN 09 program.