The effect of surface adsorption and molecular geometry on the determination of henry's law constants for fluorotelomer alcohols

Yaoxing Wu, Victor W.-C. Chang

Research output: Contribution to journalArticleResearchpeer-review

11 Citations (Scopus)

Abstract

Fluorotelomer alcohols (FTOHs) are one important subgroup of perfluorinated compounds (PFCs), yet Henry's law constant (KH) of FTOHs, which is also known as the air-water partition coefficient, remains poorly understood with a wide range of reported values. This study measured the KH of FTOHs from (309.6 to 334.2) K using the integrated gas-stripping method (IGS) for the first time, which has a lower surface-to-volume ratio comparing to the headspace method (HS). Two different materials, namely, stainless steel and glass, were chosen for constructing the stripping vessels. Results indicated significantly stronger adsorption of long-chained FTOHs on glass surface, which led to a significant bias in KH derivation. KH values extrapolated to 298 K of 4:2, 6:2, 8:2, and 10:2 FTOH, using a stainless steel vessel, showed no linear increase. A similar tendency was also reported by other groups using the HS approach. The unique molecular geometry of FTOHs was suspected to be responsible for the unusual tendency observed and false predications by modeling software including SPARC and EPI Suite. Compared with HS results reported by others, the KH values obtained in this study were higher. The discrepancy might be mainly due to the different extent of surface adsorption engaged in the two approaches. © 2011 American Chemical Society.
Original languageEnglish
Pages (from-to)3442-3448
Number of pages7
JournalJournal of Chemical and Engineering Data
Volume56
Issue number8
DOIs
Publication statusPublished - 2011
Externally publishedYes

Cite this

@article{49f4ad7ee5f3421982a22b1edc290bbc,
title = "The effect of surface adsorption and molecular geometry on the determination of henry's law constants for fluorotelomer alcohols",
abstract = "Fluorotelomer alcohols (FTOHs) are one important subgroup of perfluorinated compounds (PFCs), yet Henry's law constant (KH) of FTOHs, which is also known as the air-water partition coefficient, remains poorly understood with a wide range of reported values. This study measured the KH of FTOHs from (309.6 to 334.2) K using the integrated gas-stripping method (IGS) for the first time, which has a lower surface-to-volume ratio comparing to the headspace method (HS). Two different materials, namely, stainless steel and glass, were chosen for constructing the stripping vessels. Results indicated significantly stronger adsorption of long-chained FTOHs on glass surface, which led to a significant bias in KH derivation. KH values extrapolated to 298 K of 4:2, 6:2, 8:2, and 10:2 FTOH, using a stainless steel vessel, showed no linear increase. A similar tendency was also reported by other groups using the HS approach. The unique molecular geometry of FTOHs was suspected to be responsible for the unusual tendency observed and false predications by modeling software including SPARC and EPI Suite. Compared with HS results reported by others, the KH values obtained in this study were higher. The discrepancy might be mainly due to the different extent of surface adsorption engaged in the two approaches. {\circledC} 2011 American Chemical Society.",
author = "Yaoxing Wu and Chang, {Victor W.-C.}",
note = "cited By 10",
year = "2011",
doi = "10.1021/je200466w",
language = "English",
volume = "56",
pages = "3442--3448",
journal = "Journal of Chemical and Engineering Data",
issn = "0021-9568",
publisher = "American Chemical Society",
number = "8",

}

The effect of surface adsorption and molecular geometry on the determination of henry's law constants for fluorotelomer alcohols. / Wu, Yaoxing; Chang, Victor W.-C.

In: Journal of Chemical and Engineering Data, Vol. 56, No. 8, 2011, p. 3442-3448.

Research output: Contribution to journalArticleResearchpeer-review

TY - JOUR

T1 - The effect of surface adsorption and molecular geometry on the determination of henry's law constants for fluorotelomer alcohols

AU - Wu, Yaoxing

AU - Chang, Victor W.-C.

N1 - cited By 10

PY - 2011

Y1 - 2011

N2 - Fluorotelomer alcohols (FTOHs) are one important subgroup of perfluorinated compounds (PFCs), yet Henry's law constant (KH) of FTOHs, which is also known as the air-water partition coefficient, remains poorly understood with a wide range of reported values. This study measured the KH of FTOHs from (309.6 to 334.2) K using the integrated gas-stripping method (IGS) for the first time, which has a lower surface-to-volume ratio comparing to the headspace method (HS). Two different materials, namely, stainless steel and glass, were chosen for constructing the stripping vessels. Results indicated significantly stronger adsorption of long-chained FTOHs on glass surface, which led to a significant bias in KH derivation. KH values extrapolated to 298 K of 4:2, 6:2, 8:2, and 10:2 FTOH, using a stainless steel vessel, showed no linear increase. A similar tendency was also reported by other groups using the HS approach. The unique molecular geometry of FTOHs was suspected to be responsible for the unusual tendency observed and false predications by modeling software including SPARC and EPI Suite. Compared with HS results reported by others, the KH values obtained in this study were higher. The discrepancy might be mainly due to the different extent of surface adsorption engaged in the two approaches. © 2011 American Chemical Society.

AB - Fluorotelomer alcohols (FTOHs) are one important subgroup of perfluorinated compounds (PFCs), yet Henry's law constant (KH) of FTOHs, which is also known as the air-water partition coefficient, remains poorly understood with a wide range of reported values. This study measured the KH of FTOHs from (309.6 to 334.2) K using the integrated gas-stripping method (IGS) for the first time, which has a lower surface-to-volume ratio comparing to the headspace method (HS). Two different materials, namely, stainless steel and glass, were chosen for constructing the stripping vessels. Results indicated significantly stronger adsorption of long-chained FTOHs on glass surface, which led to a significant bias in KH derivation. KH values extrapolated to 298 K of 4:2, 6:2, 8:2, and 10:2 FTOH, using a stainless steel vessel, showed no linear increase. A similar tendency was also reported by other groups using the HS approach. The unique molecular geometry of FTOHs was suspected to be responsible for the unusual tendency observed and false predications by modeling software including SPARC and EPI Suite. Compared with HS results reported by others, the KH values obtained in this study were higher. The discrepancy might be mainly due to the different extent of surface adsorption engaged in the two approaches. © 2011 American Chemical Society.

U2 - 10.1021/je200466w

DO - 10.1021/je200466w

M3 - Article

VL - 56

SP - 3442

EP - 3448

JO - Journal of Chemical and Engineering Data

JF - Journal of Chemical and Engineering Data

SN - 0021-9568

IS - 8

ER -