The present study has addressed carbamazepine (CBZ) degradation by hybrid advanced oxidation system of hydrodynamic cavitation (HC) assisted UV/persulfate with composite ZnO/ZnFe₂O₄ particles. This hybrid system is comprised of several parallel pathways for generation of both OH and ${\text{SO}}_4^{\bullet -}$ radicals. 98.13 ± 1.03% CBZ degradation was obtained at optimum operational conditions: inlet pressure = 9 atm, pH = 4, initial concentration of CBZ = 15 mg/L, UV power = 18 W, Na₂S₂O₈ = 500 mg/L, ZnO/ZnFe₂O₄ = 500 mg/L. HC alone resulted in 7.70% degradation of CBZ, while the binary HC + Na₂S₂O₈ system resulted in markedly high degradation of 65.73%. Composite ZnO/ZnFe₂O₄ particles had dual characteristics, viz. photocatalytic activity and a source of Fe²⁺/Fe³⁺ ions released through surface leaching. Relative contributions of OH and ${\text{SO}}_4^{\bullet -}$ radicals to CBZ degradation were identified through permutation-combination of different oxidation systems. Thermodynamic and kinetic behaviors of reactions of CBZ with OH and ${\text{SO}}_4^{\bullet -}$ radicals were analyzed using density functional theory (DFT) at B3LYP/6-31 g(d) level. Single electron transfer (SET) between CBZ and ${\text{SO}}_4^{\bullet -}$ was the primary (and thermodynamically favorable) reaction pathway in initiation of degradation. Degradation intermediates revealed ionization of CBZ through SET before hydroxylation and oxidation – which was corroboration of DFT simulations.

本研究已经解决了卡马西平（CBZ）的降解，该混合氧化是由水动力空化（HC）辅助的UV /过硫酸盐与复合ZnO / ZnFe ₂ O ₄颗粒组成的混合高级氧化系统。该混合系统由产生OH和OH的几种平行途径组成${\text{所以}}_4^{\bullet --}$部首。在最佳操作条件下，获得98.13±1.03％的CBZ降解：入口压力= 9 atm，pH = 4，CBZ的初始浓度= 15 mg / L，UV功率= 18 W，Na ₂ S ₂ O ₈  = 500 mg / L ，ZnO / ZnFe ₂ O ₄  ＝ 500mg / L。单独的HC导致CBZ降解7.70％，而二元HC + Na ₂ S ₂ O ₈体系导致65.73％的显着高降解。ZnO / ZnFe ₂ O ₄复合颗粒具有双重特性，即。光催化活性和通过表面浸出释放的Fe ²⁺ / Fe ³⁺离子来源。的相对贡献OH和 ${\text{所以}}_4^{\bullet --}$通过排列组合不同的氧化系统确定了CBZ降解的自由基。CBZ与OH和CBZ反应的热力学和动力学行为。${\text{所以}}_4^{\bullet --}$使用密度泛函理论（DFT）在B3LYP / 6-31 g（d）水平上分析自由基。CBZ与CBZ之间的单电子转移（SET）${\text{所以}}_4^{\bullet --}$是降解起始的主要（热力学上有利的）反应途径。降解中间体揭示了在羟基化和氧化之前，SET通过SET使CBZ电离，这证实了DFT模拟。