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Review of Recent Computational Research on the Adsorption of PFASs with a Variety of Substrates
Summary
This review summarizes recent computer modeling research on how PFAS, sometimes called "forever chemicals," stick to various materials, which could help develop better cleanup methods. While focused on PFAS rather than microplastics, both are persistent environmental pollutants that resist breakdown and accumulate in the body. Understanding how these chemicals interact with surfaces at the molecular level could lead to more effective ways to remove them from contaminated water and soil.
The widespread use and impervious nature of per- and polyfluorinated alkyl substances (PFASs) is leading to potentially harmful exposure in numerous environments. One avenue to explore remediation of PFAS-contaminated environments involves investigating how well PFASs adsorb onto various substrates. In the current review, we focus on summarizing recent computational research, largely involving density functional theory (DFT) and molecular dynamics (MD), into the adsorption and interaction of PFASs with a variety of substrates with an aim to provide insight and inspire further research that may lead to solutions to this critical problem that impacts the environment and human health.