Kinetics and Mechanism of Degradation of Reactive Radical-Mediated Probe Compounds by the UV/Chlorine Process: Theoretical Calculation and Experimental Verification
Tao Peng, Chao Xu, Lei Yang, Bin Yang, Wenwen Cai, Feng Long Gu, Guang‐Guo Ying
Abstract
Cl played an important role in subsequent reactions of NB-OH radicals, converting to hydroxylated and chlorinated products, which were further confirmed by experimental products' identification. The findings from this study indicated that quantum chemistry calculations provide an effective means to investigate the reaction kinetics and mechanism of chemicals in the UV/chlorine process.
Topics & Concepts
ChlorineReaction rate constantChemistryRadicalKineticsReaction mechanismHydroxyl radicalChemical kineticsReaction rateBenzoic acidPhotochemistryAdvanced oxidation processOrganic chemistryCatalysisQuantum mechanicsPhysicsAdvanced oxidation water treatmentWater Treatment and DisinfectionAtmospheric chemistry and aerosols