Ejerssa, Wondesen Workneh Seid, Mingizem Gashaw Moon, Byeong Cheul Son, Moon Chae, Sung Ho Hong, Seok Won 2025-12-03T01:34:19Z 2025-12-03T01:34:19Z 2025-11-11 2026-02 1383-5866 https://pubs.kist.re.kr/handle/201004/153729 In this study, we present an integrated clustering-classification machine learning (ML) model for optimizing the removal of micropollutants in water using ultraviolet-based advanced oxidation processes (UV-AOPs). We evaluated the degradation of 28 micropollutants using five UV-AOPs: UV/TiO2, UV/H2O2, UV/Fenton, UV/ peroxydisulfate (PDS), and UV/Cl-2, and thereafter, investigated the optimization of these AOPs using six ML models (Random Forest, Gradient Boosted Decision Tree, Extremely Randomized Trees, Extreme Gradient Boosting (XGBoost), Categorical Boost, and k-nearest neighbors). Among the six models, XGBoost showed superior performance, exhibiting the highest prediction accuracy (>0.9) and shortest computing time. It also provided valuable insights into the classification criteria for ensuring a high micropollutant removal rate. SHAP analysis further identified photoreactivity and controllable features (e.g., oxidant dose and type) as the key factors driving the degradation of micropollutants in different clusters. Second-order reaction rate constants (e.g., that for center dot OH in the UV/Fenton process and SO4 center dot- in the UV/PDS process) also played critical roles in specific clusters. These findings highlight the potential of ML-based optimization in facilitating the selection of appropriate process types and operating conditions for micropollutant degradation. Additionally, the application of these findings may enable a more effective evaluation of micropollutants removal efficiency in water treatment. English Pergamon Press Ltd. Exploring decisive operating factors for micropollutants fate in ultraviolet-based advanced oxidation processes using the integrated clustering-classification model Article 10.1016/j.seppur.2025.135277 3 Separation and Purification Technology, v.380, no.Part 1 Separation and Purification Technology 380 Part 1 Y 001585720300001 2-s2.0-105016780690 Engineering, Chemical Engineering Article WASTE-WATER EFFLUENT DRINKING-WATER DEGRADATION PHARMACEUTICALS UV/H2O2 PRODUCTS KINETICS REMOVAL TRANSFORMATION CONTAMINANTS Micropollutants XGBoost Machine learning Photoreactivity center dot OH and SO4 center dot-