Pore size effects upon adsorption of PFAS in covalent organic frameworks: molecular dynamics study
A molecular dynamics simulation study of adsorption, selectivity, and partitioning of per- and polyfluoroalkyl substances (PFAS) molecules in covalent organic frameworks (COFs) of differing pores sizes for capture and removal efficiency.
Authors
- Caitlin G. Bresnahan (ORCID: https://orcid.org/0000-0003-3285-9074)
- Timothy C. Ricard (ORCID: https://orcid.org/0000-0003-2782-0175)
- Manoj K. Shukla (ORCID: https://orcid.org/0000-0002-7560-1172)
- Timothy C. Schutt (ORCID: https://orcid.org/0000-0003-3803-409X)
Institutions
- Oak Ridge Associated Universities (US)
- Oak Ridge Institute for Science and Education
- U.S. Army Engineer Research and Development Center (US)
Publication Details
- Journal
- Environmental Science Advances
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d4va00422a
- Citations
- 7
- Primary Topic
- Covalent Organic Framework Applications
- Type
- article
- Field-Weighted Citation Impact
- 3.62
Funders
- U.S. Department of Defense
- U.S. Department of Energy
- Oak Ridge Associated Universities
- Rural Development Administration
- Oak Ridge Institute for Science and Education
- U.S. Army Corps of Engineers
- Engineer Research and Development Center