Benzotriazole UV stabilizers (BT-UVs) are important UV absorbers. As high-production chemicals and potential hazards, their ubiquitous presence in aquatic environments is of greatly pressing concern. Herein, the removal of six typical BT-UVs by UV/H2O2 was comprehensively investigated by quantum chemistry calculation integrated with CFD simulation. Utilizing such a micro and macro incorporated model in treating contaminants is the first report. From the micro-view, the degradation mechanisms of BT-UVs by •OH oxidation were determined, and corresponding rate constants were obtained with values of 109~1010 M-1s-1. In a macroscopic aspect, combining the established kinetic model and CFD simulation, the effects of UV lamp power (P), volumetric flow rate (Qv), and H2O2 dosage ([H2O2]0) on removal yields of BT-UVs were expounded, increasing P or [H2O2]0 or decreasing Qv are effective in improving removal yields of BT-UVs, but the enhancement was abated when P or [H2O2]0 increased to a certain level. In addition, rapidly predicting energy consumption for target removal rates of organic pollutants is crucial for the industrial application of UV/H2O2. Thus, we explored the UV/H2O2 treatment process for potential organic contaminants by extending the degradation rate constants to a wide range of 109 ~ 1011 M-1 s-1. Based on massive simulation data, we innovatively developed a model to meet the demands. This work proposed a new operable solution for rapidly predicting operation performance and energy consumption for organic contaminant removal in industrial applications of AOP, offering valuable information for practical applications and saving experimental expenses as well as improving efficiency.

Juan Dang, Associate professor at Environment Research Institute of Shandong University, she is the recipient of Hong Kong Scholars Program and the Young Scholars Future Program of Shandong University, and mainly engaged in related research on pollutants migration and transformation, atmospheric chemistry and advanced oxidation process. She has published more than thirty papers in the international academic journals in the field of environment.