Presently, the hydroxyl radical oxidation mechanism is widely acknowledged for the degradation of organic pollutants based on hydrodynamic cavitation technology. The presence and production mechanism of other potential reactive oxygen species (ROS) in the cavitation systems are still unclear. In this paper, singlet oxygen (1O2) and superoxide radical (·O2−) were selected as the target ROS, and their generation rules and mechanism in vortex-based hydrodynamic cavitation (VBHC) were analyzed. Computational fluid dynamics (CFD) were used to simulate and analyze the intensity characteristics of VBHC, and the relationship between the generation of ROS and cavitation intensity was thoroughly revealed. The results show that the operating conditions of the device have a significant and complicated influence on the generation of 1O2 and ·O2−. When the inlet pressure reaches to 4.5 bar, it is more favorable for the generation of 1O2 and ·O2− comparing with those lower pressure. However, higher temperature (45 °C) and aeration rate (15 (L/min)/L) do not always have positive effect on the 1O2 and ·O2− productions, and their optimal parameters need to be analyzed in combination with the inlet pressure. Through quenching experiments, it is found that 1O2 is completely transformed from ·O2−, and ·O2− comes from the transformation of hydroxyl radicals and dissolved oxygen. Higher cavitation intensity is captured and shown more disperse in the vortex cavitation region, which is consistent with the larger production and stronger diffusion of 1O2 and ·O2−. This paper shed light to the generation mechanism of 1O2 and ·O2− in VBHC reactors and the relationship with cavitation intensity. The conclusion provides new ideas for the research of effective ROS in hydrodynamic cavitation process.
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