Review of Recent Computational Research on the Adsorption of PFASs with a Variety of Substrates

Authors

Alfonso Minervino, New Jersey Institute of Technology
Kevin D. Belfield, New Jersey Institute of Technology

Document Type

Article

Publication Date

3-1-2024

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.

Identifier

85189139704 (Scopus)

Publication Title

International Journal of Molecular Sciences

External Full Text Location

https://doi.org/10.3390/ijms25063445

e-ISSN

14220067

ISSN

16616596

PubMed ID

38542417

Issue

6

Volume

25

Grant

EFMA-2203704

Fund Ref

National Science Foundation

Recommended Citation

Minervino, Alfonso and Belfield, Kevin D., "Review of Recent Computational Research on the Adsorption of PFASs with a Variety of Substrates" (2024). Faculty Publications. 576.
https://digitalcommons.njit.edu/fac_pubs/576