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Molecular Connectivity Indices and Soil Properties to Predict Sorption of Per- and Polyfluoroalkyl Substances
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This study developed a model using molecular connectivity indices and soil physicochemical properties to predict soil-water partitioning coefficients for PFAS compounds, enabling more accurate assessment of their environmental fate. PFAS compounds are persistent co-contaminants that sorb to microplastic surfaces, so improved partitioning models directly support understanding of how plastic particles act as vectors concentrating these chemicals in soil environments.
This study presents a modeling approach to predict soil-water partitioning coefficient (log Kd, L/kg) for per- and polyfluoroalkyl substances (PFAS) as a function of molecular connectivity indices (MCIs) and soil...
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