Exploring the origin of efficient adsorption of poly- and perfluoroalkyl substances in household point-of-use water purifiers: Deep insights from a joint experimental and computational study.
Sci Total Environ
; 831: 154988, 2022 Jul 20.
Article
em En
| MEDLINE
| ID: mdl-35378177
ABSTRACT
Poly- and perfluoroalkyl substances (PFAS) are harmful chemicals to humans and widely detected in water bodies including tap water. PFAS cannot be efficiently removed from water through conventional treatment processes used in full-scale drinking water treatment plants, posing a latent risk to human health via drinking tap water. Here in-field investigations show that the household point-of-use (POU) water purifiers constituted with coconut shell activated carbon can achieve 21%-99% removal for 14 legacy and emerging PFAS in tap water based on the ratio of influent and effluent. Extensive characterizations combine with chemical analyses demonstrate that physical adsorption based on Van der Waals force can remove 23 PFAS from tap water, wherein the hydrophobicity of PFAS is the crucial factor. Density functional theory calculations together with the quantitative structure-activity relationship model confirm that both topological structures as well as hydrophobicity of PFAS and electrostatic interactions between the strong electronegative F atoms and the adsorbent surface are the most critical factors controlling the PFAS adsorption to activated carbon. Overall, our results offer insights into the molecular mechanisms that enable the adsorption of PFAS in POU filters.
Palavras-chave
Texto completo:
1
Coleções:
01-internacional
Contexto em Saúde:
2_ODS3
Base de dados:
MEDLINE
Assunto principal:
Poluentes Químicos da Água
/
Água Potável
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Purificação da Água
/
Fluorocarbonos
Tipo de estudo:
Prognostic_studies
Limite:
Humans
Idioma:
En
Revista:
Sci Total Environ
Ano de publicação:
2022
Tipo de documento:
Article