Per- and poly-fluoroalkyl substances (PFAS) are a large class of persistent environmental pollutants. PFAS molecules have been detected in groundwater, soil, and air. In order to understand the fate and transport of PFAS, we have employed molecular dynamics simulations to probe the adsorption upon various clay surfaces and the impacts of competitive surface coverage in aqueous conditions. Previous research has implicated the importance of both electrostatic and hydrophobic interactions control the rate and efficacy of PFAS adsorption. We look to elucidate the factors controlling the rate of PFAS adsorption as a way to both understand the prevalence of PFAS in the environment as well as to lead to next generation materials for bioremediation.

MD perspective on competitive factors affecting PFAS adsorption on clay surfaces

ACS Fall 2021

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.