Mechanistic Insight into Degradation of Cetirizine under UV/Chlorine Treatment: Experimental and Quantum Chemical Studies

Abstract

UV/chlorine treatment is an efficient technology for removing organic pollutants in wastewater. Nevertheless, degradation of antihistamines in the UV/chlorine system, especially the underlying reaction mechanism, is not yet clear. In this study, the degradation of cetirizine (CTZ), a representative antihistamine, under UV/chlorine treatment was investigated. The results showed that CTZ could undergo fast degradation in the UV/chlorine system with an observed reaction rate constant (kobs) of (0.19 ± 0.01) min−1, which showed a first-increase and then-decrease trend with its initial concentration increased. The degradation of CTZ during the UV/chlorine treatment was attributed to direct UV irradiation (38.7%), HO• (35.3%), Cl• (7.3%), and ClO• (17.1%). The kobs of CTZ decreased with the increase in pH and the increase in concentrations of a representative dissolved organic matter, Suwannee River natural organic matter (SRNOM), due to their negative effects on the concentrations of reactive species generated in the UV/chlorine system. The detailed reaction pathways of HO•, ClO•, and Cl• with CTZ were revealed using quantum chemical calculation. This study provided significant insights into the efficient degradation and the underlying mechanism for the removal of CTZ in the UV/chlorine system.