Degradation and Mechanism of Benzotriazole by Electrochemical Advanced Oxidation Processes

ABSTRACT Benzotriazole (BTA), a widely used industrial corrosion inhibitor, is recalcitrant and toxic, hindering its removal in conventional wastewater treatment. This study employed an electrochemical advanced oxidation process (EAOPs) with a boron‐doped diamond (BDD) anode to degrade BTA, investigating key operational and water quality parameters. Under optimized conditions (4 mg/L BTA, 0.05 M Na 2 SO 4 , 10 mM Cl − , pH 8, 40°C, 6 V, 259 mL/min, 90 min), 94.80% degradation was achieved. Quenching experiments identified hydroxyl radicals (•OH) as the dominant species. Combined with density functional theory (DFT) calculations, the mechanism primarily involved benzene ring opening. Fourteen intermediates were identified, suggesting three degradation pathways. This work provides theoretical support for EAOPs application in treating BTA‐containing wastewater.