2020
DOI: 10.1016/j.watres.2020.115897
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Magnetic ion-exchange (MIEX) resin for perfluorinated alkylsubstance (PFAS) removal in groundwater: Roles of atomic charges for adsorption

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Cited by 85 publications
(53 citation statements)
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“…These results indicate that most adsorbents showed higher adsorption percentage for PFSAs (10–90%) after 1 day compared to that for PFCAs (5–65%), but equilibrium for both classes of PFAAs is generally reached within 5 days. Such results agree with the equilibration time observed by other resin/PFAS studies. , However, because the residual PFAS aqueous concentrations can continue to drop for a longer period of time even when >95% adsorption has occurred, a 10 day equilibration time was used for subsequent experiments to ensure PFAS equilibrium with the resins. Furthermore, initial concentrations remained unchanged in resin-free control reactors, consistent with the reported recalcitrance of PFAAs to degradation. A full analysis and fitting of the kinetics data are provided in Section SI-4.…”
Section: Resultssupporting
confidence: 87%
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“…These results indicate that most adsorbents showed higher adsorption percentage for PFSAs (10–90%) after 1 day compared to that for PFCAs (5–65%), but equilibrium for both classes of PFAAs is generally reached within 5 days. Such results agree with the equilibration time observed by other resin/PFAS studies. , However, because the residual PFAS aqueous concentrations can continue to drop for a longer period of time even when >95% adsorption has occurred, a 10 day equilibration time was used for subsequent experiments to ensure PFAS equilibrium with the resins. Furthermore, initial concentrations remained unchanged in resin-free control reactors, consistent with the reported recalcitrance of PFAAs to degradation. A full analysis and fitting of the kinetics data are provided in Section SI-4.…”
Section: Resultssupporting
confidence: 87%
“…Through density-functional theory (DFT) calculations, Park et al discovered that sulfonic PFASs can induce greater negative atomic charges per unit of oxygen than carboxylic PFASs due to resonance stabilization. This increased negative atomic charge per oxygen and the additional oxygen atom in the sulfonate head group significantly increases the total negative charge of the head group interacting with the cationic amine surface functional groups on the resin . Within each PFAA class, the K ex values also increase with increasing perfluoroalkyl acid chain length (Figure ).…”
Section: Resultsmentioning
confidence: 97%
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“…Density functional theory (DFT) calculations support the stronger electrostatic interactions between the sulfonate group of PFSAs and quaternary ammonium functional group of resin than between the carboxylate group of PFCAs and functional group of resin (Park et al, 2020). Interestingly, DFT calculations suggested that increasing length of perfluoroalkyl tail resulted in greater net negative charge on PFAAs resulting in stronger electrostatic interactions with resin and did not use van der Waals interactions to explain the results (Park et al, 2020).…”
Section: Aer Polymer Compositionmentioning
confidence: 99%
“…Various head groups are attached to the C F chain with perfluoroalkyl acids (PFAAs) characterized by the acidic head group. The two most widely studied and detected subgroups of PFAAs are the perfluoroalkyl carboxylic acids (PFCAs) and perfluoroalkyl sulfonic acids (PFSAs), with perfluorooctanoic acid (PFOA) and perfluorooctane sulfonic acid (PFOS) being the most prevalent species (Pontius, 2019).…”
Section: Introductionmentioning
confidence: 99%