Modeling the fate of UV filters in subsurface: co-metabolic degradation and the role of biomass in sorption processes

Abstract

Ultraviolet filters (UVFs) are emerging organic compounds found in most water systems. They are constituents of personal care products, as well as industrial ones. The concentration of UVFs in the water bodies in space and time is mostly determined by degradation and sorption, both processes being determinant of their bioavailability and toxicity to ecosystems and humans. UVFs are a wide group of compounds, with different sorption behavior expected depending on the individual chemical properties (pKa,Koc,Kow). The goal of this work is framed in the context of improving our understanding of the sorption processes of UVFs occurring in the aquifer; that is, to evaluate the role of biomass growth, solid organic matter (SOM) and redox conditions in the characterization of sorption of a set of UVFs. We constructed a conceptual and a numerical model to evaluate the fate of selected UV filters, focused on both sorption and degradation. The models were validated with published data by Liu et al. (2013), consisting in a suite of batch experiments evaluating the fate of a cocktail of UVs under different redox conditions. The compounds evaluated included ionic UV filters (Benzophenone-3; 2-(3-t-butyl-2-hydroxy-5-methylphenyl)5-chloro-benzotriazole; 2-(2'-hydroxy-5'-octylphenyl)-benzotriazole) and neutral ones (octyl 4-methoxycinnamatte; and octocrylene).