The Henry's law constant of trifluoroacetic acid and its partitioning into liquid water in the atmosphere

Bowden, Derek; Clegg, Simon L.; Brimblecombe, Peter

doi:10.1016/0045-6535(95)00330-4

Cited by 75 publications

(47 citation statements)

References 26 publications

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“…The literature values of pK a for equilibria (14), (13), and (15) at 298 K are 0.47 [13], 0.29-0.38 [14], and 0.36-0.48 [14], respectively. Panel A in Fig.…”

Section: Influence Of Undissociated Forms C 2 F 5 C(o)oh Cf 3 C(o)omentioning

confidence: 99%

Rate constants for aqueous‐phase reactions of SO₄⁻ with C₂F₅C(O)O⁻ and C₃F₇C(O)O⁻ at 298 K

Kutsuna

Hori

2007

Int J of Chemical Kinetics

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Perfluorocarboxylic acids and their anions (PFCAs), such as perfluorooctanate (C7F15C(O)O−), have been generally recognized to be global pollutants and are believed to persist in the environment. Kinetic data for reactions of sulfate anion radicals (SO4−) with PFCAs are needed to evaluate the residence times of PFCAs in the environment, but no kinetic data have been reported, except for the rate constant for the reaction of SO4− with trifluoroacetate (CF3C(O)O−) (k1). In this study, using the fact that PFCAs react with SO4− to form shorter chain PFCAs, we determined rates relative to k1 of the reactions of photolytically generated SO4− with two short‐chain PFCAs, pentafluoropropionate (C2F5C(O)O−; k2) and heptafluorobutyrate (C3F7C(O)O−; k3), along with conversion ratios for conversion of C2F5C(O)O− into CF3C(O)O− (α) and conversion of C3F7C(O)O− into C2F5C(O)O− (β) and CF3C(O)O− (γ) at 298 K. Values of k1, k2, or k3 might change over the course of reaction with increasing ionic strength. Nevertheless, if the values of k1/k2, k2/k3, α, β, and γ remain almost constant during the reaction, a simple equation involving relative rates, such as k1/k2, can be used to relate the concentrations of C3F7C(O)O−, C2F5C(O)O−, and CF3C(O)O−. We compared the relative rates, such as k1/k2, and the conversion ratios determined from various experimental runs with different initial conditions to check whether relative rates and conversion ratios remained almost constant during each experimental run. The values of k1/k2, k2/k3, α, β, and γ seemed to remain almost constant, which facilitated determination of k2/k1 = 0.89 ± 0.07, k3/k1 = 0.84 ± 0.08, α = 0.88 ± 0.05, β = 0.75 ± 0.05, and γ = 0.17 ± 0.02. © 2007 Wiley Periodicals, Inc. Int J Chem Kinet 39: 276–288, 2007

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“…The literature values of pK a for equilibria (14), (13), and (15) at 298 K are 0.47 [13], 0.29-0.38 [14], and 0.36-0.48 [14], respectively. Panel A in Fig.…”

Section: Influence Of Undissociated Forms C 2 F 5 C(o)oh Cf 3 C(o)omentioning

confidence: 99%

Rate constants for aqueous‐phase reactions of SO₄⁻ with C₂F₅C(O)O⁻ and C₃F₇C(O)O⁻ at 298 K

Kutsuna

Hori

2007

Int J of Chemical Kinetics

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“…We have added dry deposition of TFA assuming TFA and nitric acid to be similar with respect to this process, as in Luecken et al [2010] and Henne et al [2012]. TFA also partitions to a limited extent into aerosol [Bowden et al, 1996], with which it can be removed from the atmosphere by dry and wet deposition. These removal processes were not accounted for in this work.…”

Section: Scavenging and Depositionmentioning

confidence: 99%

“…Similarly, it is assumed that upon cloud evaporation, TFA is instantaneously released from the liquid phase into the gas phase. TFA has a Henry's law constant of 4.2 × 10 4 mol L −1 atm −1 at 284 K [Bowden et al, 1996]. The time scales for saturation of a drop with radius a with TFA by gas phase diffusion and interfacial transport, respectively, (in the absence of an aqueous phase sink) were calculated using equations (A3) and (A4).…”

Section: Appendix B: Instantaneous Uptake and Release Of Tfa By Cloudmentioning

confidence: 99%

Deposition and rainwater concentrations of trifluoroacetic acid in the United States from the use of HFO‐1234yf

et al. 2014

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Currently, HFC‐134a (1,1,1,2‐tetrafluoroethane) is the most common refrigerant in automobile air conditioners. This high global warming potential substance (100 year GWP of 1370) will likely be phased out and replaced with HFO‐1234yf (2,3,3,3‐tetrafluoropropene) that has a 100 year GWP of 4. HFO‐1234yf will be oxidized to produce trifluoroacetic acid (TFA) in clouds. TFA, a mildly toxic substance with detrimental effects on some aquatic organisms at high concentrations (≥100μgL−1), would be transported by rain to the surface and enter bodies of water. We investigated the dry and wet deposition of TFA from HFO‐1234yf over the contiguous USA using the Advanced Research Weather Research and Forecasting model (ARW) with interactive chemical, aerosol, and cloud processes (WRF/Chem) model. Special focus was placed on emissions from three continental USA regions with different meteorological characteristics. WRF/Chem simulated meteorology, cloud processes, gas and aqueous phase chemistry, and dry and wet deposition between May and September 2006. The model reproduced well the multimonth total sulfate wet deposition (4% bias) and its spatial variability (r = 0.86) observed by the National Atmospheric Deposition Program. HFO‐1234yf emissions were obtained by assuming the number of automobile air conditioners to remain unchanged, and substituting HFO‐1234yf, mole‐per‐mole for HFC‐134a. Our estimates of current HFC‐134a emissions were in agreement with field data. Average TFA rainwater concentration was 0.89μgL−1, with peak values of 7.8μgL−1, for the May–September 2006 period over the contiguous USA. TFA rainwater concentrations over the dry western USA were often significantly higher, but wet‐deposited TFA amounts remained relatively low at such locations.

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“…Some HCFCs/HFCs, such as HCFC-123 (CF 3 CHCl 2 ), HCFC-124 (CF 3 CHClF) and HFC-134a (CF 3 CH 2 F), can react with hydroxyl (OH) radical to yield CF 3 COX (X = F or Cl), which will result in the formation of trifluoroacetic acid (TFA) through in-cloud hydrolysis (Wallington et al, 1992(Wallington et al, , 1994Franklin, 1993;Tuazon and Atkinson, 1993;Kanakidou et al, 1995;Boutonnet et al, 1999). Due to its low Henry's Law constant (Bowden et al, 1996) and high solubility , TFA is expected to be removed from the atmosphere primarily by washout. Wet deposition via rain, snow and fog is thus the most important pathway of TFA's transfer from atmosphere into hydrosphere.…”

Section: Introductionmentioning

confidence: 99%

Rainwater trifluoroacetic acid (TFA) in Guangzhou, South China: Levels, wet deposition fluxes and source implication

Wang

Ding

2014

Science of The Total Environment

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The Henry's law constant of trifluoroacetic acid and its partitioning into liquid water in the atmosphere

Cited by 75 publications

References 26 publications

Rate constants for aqueous‐phase reactions of SO₄⁻ with C₂F₅C(O)O⁻ and C₃F₇C(O)O⁻ at 298 K

Rate constants for aqueous‐phase reactions of SO₄⁻ with C₂F₅C(O)O⁻ and C₃F₇C(O)O⁻ at 298 K

Deposition and rainwater concentrations of trifluoroacetic acid in the United States from the use of HFO‐1234yf

Rainwater trifluoroacetic acid (TFA) in Guangzhou, South China: Levels, wet deposition fluxes and source implication

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The Henry's law constant of trifluoroacetic acid and its partitioning into liquid water in the atmosphere

Cited by 75 publications

References 26 publications

Rate constants for aqueous‐phase reactions of SO4− with C2F5C(O)O− and C3F7C(O)O− at 298 K

Rate constants for aqueous‐phase reactions of SO4− with C2F5C(O)O− and C3F7C(O)O− at 298 K

Deposition and rainwater concentrations of trifluoroacetic acid in the United States from the use of HFO‐1234yf

Rainwater trifluoroacetic acid (TFA) in Guangzhou, South China: Levels, wet deposition fluxes and source implication

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Rate constants for aqueous‐phase reactions of SO₄⁻ with C₂F₅C(O)O⁻ and C₃F₇C(O)O⁻ at 298 K

Rate constants for aqueous‐phase reactions of SO₄⁻ with C₂F₅C(O)O⁻ and C₃F₇C(O)O⁻ at 298 K