Boosted Photocatalytic Degradation of Atrazine Using Oxygen-Modified g-C3N4: Investigation of the Reactive Oxygen Species Interconversion.

Elaborating the specific reactive oxygen species (ROS) involved in the photocatalytic degradation of atrazine (ATZ) is of great significance for elucidating the underlying mechanism. This study provided conclusive evidence that hydroxyl radicals (·OH) were the primary ROS responsible for the efficient photocatalytic degradation of ATZ, thereby questioning the reliability of widely adopted radical quenching techniques in discerning authentic ROS species. As an illustration, oxygen-modified g-C3N4 (OCN) was prepared to counteract the limitations of pristine g-C3N4 (CN). Comparative assessments between CN and OCN revealed a remarkable 10.44-fold improvement in the photocatalytic degradation of ATZ by OCN. This enhancement was ascribed to the increased content of C-O functional groups on the surface of the OCN, which facilitated the conversion of superoxide radicals (·O2-) into hydrogen peroxide (H2O2), subsequently leading to the generation of ·OH. The increased production of ·OH contributed to the efficient dealkylation, dechlorination, and hydroxylation of ATZ. Furthermore, toxicity assessments revealed a significant reduction in ATZ toxicity following its photocatalytic degradation by OCN. This study sheds light on the intricate interconversion of ROS and offers valuable mechanistic insights into the photocatalytic degradation of ATZ.

CFD-assisted modeling of the hydrodynamic cavitation reactors for wastewater treatment - A review.

Hydrodynamic cavitation has been a promising method and technology in wastewater treatment, while the principles based on the design of cavitational reactors to optimize cavitation yield and performance remains lacking. Computational fluid dynamics (CFD), a supplementation of experimental optimization, has become an essential tool for this issue, owing to the merits of low investment and operating costs. Nevertheless, researchers with a non-engineering background or few CFD fundamentals used straightforward numerical strategies to treat cavitating flows, and this might result in many misinterpretations and consequently poor computations. This review paper presents the rationale behind hydrodynamic cavitation and application of cavitation modeling specific to the reactors in wastewater treatment. In particular, the mathematical models of multiphase flow simulation, including turbulence closures and cavitation models, are comprehensively described, whilst the advantages and shortcomings of each model are also identified and discussed. Examples and methods of the coupling of CFD technology, with experimental observations to investigate into the hydrodynamic behavior of cavitating devices that feature linear and swirling flows, are also critically summarized. Modeling issues, which remain unaddressed, i.e., the implementation strategies of numerical models, and the definition of cavitation numbers are identified and discussed. Finally, the advantages of CFD modeling are discussed and the future of CFD applications in this research area is also outlined. It is expected that the present paper would provide decision-making support for CFD beginners to efficiently perform CFD modeling and promote the advancement of cavitation simulation of reactors in the field of wastewater treatment.