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- Title
Review of Recent Computational Research on the Adsorption of PFASs with a Variety of Substrates.
- Authors
Minervino, Alfonso; Belfield, Kevin D.
- Abstract
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.
- Subjects
DENSITY functional theory; MOLECULAR dynamics; ADSORPTION (Chemistry); COMPUTATIONAL chemistry
- Publication
International Journal of Molecular Sciences, 2024, Vol 25, Issue 6, p3445
- ISSN
1661-6596
- Publication type
Article
- DOI
10.3390/ijms25063445