Speaker
Description
Per- and polyfluoroalkyl substances (PFAS) are emerging contaminants that are ubiquitous in the environment, with their fate and transport strongly influenced by adsorption at the air–water interface. Accurate quantification of air–water interfacial adsorption is therefore critical for understanding PFAS migration in environmental systems involving air–water interfaces. However, PFAS concentrations in the environment are typically far below critical micelle concentrations, and many PFAS are ionic. This has led to ongoing debate over whether ionic PFAS at low concentrations conform to classical Langmuir-type adsorption behavior at the air–water interface. To address this knowledge gap, we combine all-atom molecular dynamics simulations with thermodynamic analysis to investigate ionic PFAS adsorption under environmentally relevant conditions. Based on these insights, we develop a revised adsorption model that more accurately represents ionic PFAS behavior at low concentrations, with implications for improved prediction of PFAS transport in the vadose zone and other environmental systems where air–water interfaces play a key role.
| Country | United States |
|---|---|
| Green Housing & Porous Media Focused Abstracts | This abstract is related to Green Housing |
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