Environmental Engineering Commons^™

Mechanistic Insight Into The Degradation Of Nitrosamines Via Aqueous-Phase Uv Photolysis Or A Uv-Based Advanced Oxidation Process: Quantum Mechanical Calculations, Daisuke Minakata, Erica Coscarelli

Department of Civil, Environmental, and Geospatial Engineering Publications

Nitrosamines are a group of carcinogenic chemicals that are present in aquatic environments that result from byproducts of industrial processes and disinfection products. As indirect and direct potable reuse increase, the presence of trace nitrosamines presents challenges to water infrastructures that incorporate effluent from wastewater treatment. Ultraviolet (UV) photolysis or UV-based advanced oxidation processes that produce highly reactive hydroxyl radicals are promising technologies to remove nitrosamines from water. However, complex reaction mechanisms involving radicals limit our understandings of the elementary reaction pathways embedded in the overall reactions identified experimentally. In this study, we perform quantum mechanical calculations to identify the …