Kinetics Simulation and Mechanism of the Degradation of Sulfachlorpyridazine in Fe(Ⅲ)/Sulfite System
Kinetics simulation model for the degradation of sulfachlorpyridazine(SCP)in Fe(Ⅲ)/sulfite(Fe(Ⅲ)-S(Ⅳ))system was established,and the reaction mechanism of different radicals in this system was also investigated.The reactive species were identified by electron spin resonance experiments,anaerobic experiment,quenching experiments and PMSO experiment,and their contributions were also analyzed.It was showed that the main reactive species at pH=4 in the system were SO4·-,SO5·-and OH,and the contribution of each radicals were 76.3％,22.3％and 1.40％,respectively.The results were consistent with the kinetics simulation.Subsequently,the main reaction sites of SCP were calculated by density functional theory,and the intermediate products of SCP degradation by SO4·-or SO5·-were analyzed by LC-MS.The degradation pathways and mechanisms of different radicals in S(Ⅳ)system were improved and verified.
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