Effect of minerals on the interfacial behavior of per- and polyfluoroalkyl substances | Poster Board #500

The interaction of organic and inorganic species at mineral interfaces is central to understanding the behavior of toxic contaminants in near-surface environments. Per- and polyfluorinated alkyl substances are important contaminants that are ubiquitously found in natural settings including soils, sediments, and ground and surface water. There is growing evidence that the exposure of PFAS can lead to detrimental health impacts in human and animals. Consequently, there has been significant effort made towards removing PFAS from water sources using adsorption and destruction methodologies. However, insight about the behavior of PFAS at the surfaces of solid matrices is extremely limited both on macroscopic and at molecular level. Such critical understanding is warranted to design effective remediation methods to remove PFAS from surface solid environments. This presentation will provide a comprehensive understanding of the adsorption, structure, and dynamics of a wide range of PFAS in geologically relevant solid matrices (associated to contaminated sites) using molecular dynamics simulations. Importantly, the factors that dictate the sorption behavior and associated underlying mechanisms will be discussed.