The influence of chain length on the sorption of C4-C10 perfluorocarboxylic acids during transport in a sand

Ying Lyu; Baohua Wang; Mark L. Brusseau

doi:10.1016/j.hazl.2023.100084

The influence of chain length on the sorption of C4-C10 perfluorocarboxylic acids during transport in a sand

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Abstract

The impact of chain length on the retention and transport of perfluorocarboxylic acids (PFCAs) in a quartz sand was investigated. Short-chain (C4–C7: PFBA, PFPeA, PFHxA, PFHpA) and long-chain (C8–C10: PFOA, PFNA, PFDA) PFCAs were selected as a representative homologous series. Miscible-displacement transport experiments were conducted under saturated conditions to characterize the magnitudes of sorption mediating retention and transport. Quantitative-structure/property-relationship (QSPR) analysis was applied to characterize the influence of molecular size on sorption. The transport of the long-chain PFCAs exhibited greater retardation than the short-chain PFCAs. The log of the equilibrium sorption coefficient (K_d) exhibited a biphasic relationship with carbon number and molar volume, with the magnitude of measured sorption for the short-chain PFCAs significantly greater than would be predicted using the QSPR regression developed for the long-chain PFCAs. This is consistent with batch-measured data reported in the literature, and likely reflects the relative influence of different sorption mechanisms for the short-chain vs long-chain PFCAs.

Original language	English (US)
Article number	100084
Journal	Journal of Hazardous Materials Letters
Volume	4
DOIs	https://doi.org/10.1016/j.hazl.2023.100084
State	Published - Nov 2023

Keywords

PFAS
PFCAs
PFOA
Retention

ASJC Scopus subject areas

Environmental Engineering
Environmental Chemistry
Waste Management and Disposal
Pollution
Health, Toxicology and Mutagenesis

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10.1016/j.hazl.2023.100084

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title = "The influence of chain length on the sorption of C4-C10 perfluorocarboxylic acids during transport in a sand",

abstract = "The impact of chain length on the retention and transport of perfluorocarboxylic acids (PFCAs) in a quartz sand was investigated. Short-chain (C4–C7: PFBA, PFPeA, PFHxA, PFHpA) and long-chain (C8–C10: PFOA, PFNA, PFDA) PFCAs were selected as a representative homologous series. Miscible-displacement transport experiments were conducted under saturated conditions to characterize the magnitudes of sorption mediating retention and transport. Quantitative-structure/property-relationship (QSPR) analysis was applied to characterize the influence of molecular size on sorption. The transport of the long-chain PFCAs exhibited greater retardation than the short-chain PFCAs. The log of the equilibrium sorption coefficient (Kd) exhibited a biphasic relationship with carbon number and molar volume, with the magnitude of measured sorption for the short-chain PFCAs significantly greater than would be predicted using the QSPR regression developed for the long-chain PFCAs. This is consistent with batch-measured data reported in the literature, and likely reflects the relative influence of different sorption mechanisms for the short-chain vs long-chain PFCAs.",

keywords = "PFAS, PFCAs, PFOA, Retention",

author = "Ying Lyu and Baohua Wang and Brusseau, {Mark L.}",

note = "Publisher Copyright: {\textcopyright} 2023 The Authors",

year = "2023",

month = nov,

doi = "10.1016/j.hazl.2023.100084",

language = "English (US)",

volume = "4",

journal = "Journal of Hazardous Materials Letters",

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T1 - The influence of chain length on the sorption of C4-C10 perfluorocarboxylic acids during transport in a sand

AU - Lyu, Ying

AU - Wang, Baohua

AU - Brusseau, Mark L.

PY - 2023/11

Y1 - 2023/11

N2 - The impact of chain length on the retention and transport of perfluorocarboxylic acids (PFCAs) in a quartz sand was investigated. Short-chain (C4–C7: PFBA, PFPeA, PFHxA, PFHpA) and long-chain (C8–C10: PFOA, PFNA, PFDA) PFCAs were selected as a representative homologous series. Miscible-displacement transport experiments were conducted under saturated conditions to characterize the magnitudes of sorption mediating retention and transport. Quantitative-structure/property-relationship (QSPR) analysis was applied to characterize the influence of molecular size on sorption. The transport of the long-chain PFCAs exhibited greater retardation than the short-chain PFCAs. The log of the equilibrium sorption coefficient (Kd) exhibited a biphasic relationship with carbon number and molar volume, with the magnitude of measured sorption for the short-chain PFCAs significantly greater than would be predicted using the QSPR regression developed for the long-chain PFCAs. This is consistent with batch-measured data reported in the literature, and likely reflects the relative influence of different sorption mechanisms for the short-chain vs long-chain PFCAs.

AB - The impact of chain length on the retention and transport of perfluorocarboxylic acids (PFCAs) in a quartz sand was investigated. Short-chain (C4–C7: PFBA, PFPeA, PFHxA, PFHpA) and long-chain (C8–C10: PFOA, PFNA, PFDA) PFCAs were selected as a representative homologous series. Miscible-displacement transport experiments were conducted under saturated conditions to characterize the magnitudes of sorption mediating retention and transport. Quantitative-structure/property-relationship (QSPR) analysis was applied to characterize the influence of molecular size on sorption. The transport of the long-chain PFCAs exhibited greater retardation than the short-chain PFCAs. The log of the equilibrium sorption coefficient (Kd) exhibited a biphasic relationship with carbon number and molar volume, with the magnitude of measured sorption for the short-chain PFCAs significantly greater than would be predicted using the QSPR regression developed for the long-chain PFCAs. This is consistent with batch-measured data reported in the literature, and likely reflects the relative influence of different sorption mechanisms for the short-chain vs long-chain PFCAs.

KW - PFAS

KW - PFCAs

KW - PFOA

KW - Retention

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The influence of chain length on the sorption of C4-C10 perfluorocarboxylic acids during transport in a sand

Abstract

Keywords

ASJC Scopus subject areas

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