Investigation of the Production of Trifluoroacetic Acid from Two Halocarbons, HFC-134a and HFO-1234yf and Its Fates Using a Global Three-Dimensional Chemical Transport Model

Rayne E T Holland; M. A. H.  Khan; Isabel  Driscoll; Rabi Chhantyal-Pun; Richard G. Derwent; Craig A. Taatjes; Andrew J Orr-Ewing; Carl J. Percival; Dudley E Shallcross

doi:10.1021/acsearthspacechem.0c00355

Investigation of the Production of Trifluoroacetic Acid from Two Halocarbons, HFC-134a and HFO-1234yf and Its Fates Using a Global Three-Dimensional Chemical Transport Model

Rayne E T Holland, M. A. H. Khan, Isabel Driscoll, Rabi Chhantyal-Pun, Richard G. Derwent, Craig A. Taatjes, Andrew J Orr-Ewing, Carl J. Percival, Dudley E Shallcross^*

^*Corresponding author for this work

Research output: Contribution to journal › Article (Academic Journal) › peer-review

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Abstract

Trifluoroacetic acid (TFA), a highly soluble and stable organic acid, is photochemically produced by certain anthropogenically emitted halocarbons such as HFC-134a and HFO-1234yf. Both these halocarbons are used as refrigerants in the automobile industry and the high global warming potential of HFC-134a has promoted regulation of its use. Industries are transitioning to the use of HFO-1234yf as a more environmentally friendly alternative. We investigated the environmental effects of this change and found a thirty-three-fold increase in the global burden of TFA from an annual value of 65 tonnes formed from the 2015 emissions of HFC-134a, to a value of 2200 tonnes formed from an equivalent emission of HFO-1234yf. The percentage increase in surface TFA concentrations resulting from the switch from HFC-134a to HFO-1234yf remains substantial with an increase of up to 250-fold across Europe. The increase in emissions greater than the current emission scenario of HFO-1234yf is likely to result in significant TFA burden as the atmosphere is not able to disperse and deposit relevant oxidation products. The Criegee intermediate initiated loss process of TFA reduces the surface level atmospheric lifetime of TFA by up to 5 days (from 8 days to 3 days) in tropical forested regions.

Original language	English
Pages (from-to)	849 - 857
Number of pages	9
Journal	ACS Earth and Space Chemistry
Volume	5
Issue number	4
Early online date	10 Mar 2021
DOIs	https://doi.org/10.1021/acsearthspacechem.0c00355
Publication status	Published - 15 Apr 2021

Bibliographical note

Funding Information:
We thank the NERC (grants NE/K004905/1, NE/I014381/1 and NE/P013104/1), the Bristol ChemLabS, and the Primary Science Teaching Trust under whose auspices various aspects of this work were funded. C.J.P.?s work was carried out at the Jet Propulsion Laboratory California Institute of Technology, under contract with the National Aeronautics and Space Administration (NASA) and was supported by the Upper Atmosphere Research and Tropospheric Chemistry Programs. C.A.T. contributed advice on Criegee intermediate kinetics and is supported by the Office of Chemical Sciences, Geosciences, and Biosciences Office of Basic Energy Sciences, United States Department of Energy (USDOE). The Sandia National Laboratories is a multimission laboratory managed and operated by the National Technology and Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the USDOE?s National Nuclear Security Administration under contract DE-NA0003525. This paper describes objective technical results and analysis. Any subjective views or opinions that might be expressed in the paper do not necessarily represent the views of the USDOE or the United States Government.

Publisher Copyright:
© 2021 American Chemical Society.

Keywords

anthropogenic halocarbons
trifluoroacetic acid
atmospheric lifetime
global burden
Criegee intermediates

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10.1021/acsearthspacechem.0c00355

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Kinetic Studies of Reactive Intermediates from the Oxidation of Atmospheric Alkenes
Orr-Ewing, A. J. (Principal Investigator)
1/04/17 → 30/09/20
Project: Research
Gas phase studies of the kinetics of Criegee Intermediates
Shallcross, D. E. (Principal Investigator) & Orr-Ewing, A. J. (Co-Principal Investigator)
30/06/13 → 31/12/16
Project: Research

Building an evidence base for future air quality policy through global modelling and urban data analysis
Holland, R. E. T. (Author), Shallcross, D. (Supervisor) & Crosby, J. (Supervisor), 20 Jun 2023
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)

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Holland, R. E. T., Khan, M. A. H., Driscoll, I., Chhantyal-Pun, R., Derwent, R. G., Taatjes, C. A., Orr-Ewing, A. J., Percival, C. J., & Shallcross, D. E. (2021). Investigation of the Production of Trifluoroacetic Acid from Two Halocarbons, HFC-134a and HFO-1234yf and Its Fates Using a Global Three-Dimensional Chemical Transport Model. ACS Earth and Space Chemistry, 5(4), 849 - 857. https://doi.org/10.1021/acsearthspacechem.0c00355

@article{4a33843978364e459193ced387ecedc9,

title = "Investigation of the Production of Trifluoroacetic Acid from Two Halocarbons, HFC-134a and HFO-1234yf and Its Fates Using a Global Three-Dimensional Chemical Transport Model",

abstract = "Trifluoroacetic acid (TFA), a highly soluble and stable organic acid, is photochemically produced by certain anthropogenically emitted halocarbons such as HFC-134a and HFO-1234yf. Both these halocarbons are used as refrigerants in the automobile industry and the high global warming potential of HFC-134a has promoted regulation of its use. Industries are transitioning to the use of HFO-1234yf as a more environmentally friendly alternative. We investigated the environmental effects of this change and found a thirty-three-fold increase in the global burden of TFA from an annual value of 65 tonnes formed from the 2015 emissions of HFC-134a, to a value of 2200 tonnes formed from an equivalent emission of HFO-1234yf. The percentage increase in surface TFA concentrations resulting from the switch from HFC-134a to HFO-1234yf remains substantial with an increase of up to 250-fold across Europe. The increase in emissions greater than the current emission scenario of HFO-1234yf is likely to result in significant TFA burden as the atmosphere is not able to disperse and deposit relevant oxidation products. The Criegee intermediate initiated loss process of TFA reduces the surface level atmospheric lifetime of TFA by up to 5 days (from 8 days to 3 days) in tropical forested regions. ",

keywords = "anthropogenic halocarbons, trifluoroacetic acid, atmospheric lifetime, global burden, Criegee intermediates",

author = "Holland, {Rayne E T} and Khan, {M. A. H.} and Isabel Driscoll and Rabi Chhantyal-Pun and Derwent, {Richard G.} and Taatjes, {Craig A.} and Orr-Ewing, {Andrew J} and Percival, {Carl J.} and Shallcross, {Dudley E}",

note = "Funding Information: We thank the NERC (grants NE/K004905/1, NE/I014381/1 and NE/P013104/1), the Bristol ChemLabS, and the Primary Science Teaching Trust under whose auspices various aspects of this work were funded. C.J.P.?s work was carried out at the Jet Propulsion Laboratory California Institute of Technology, under contract with the National Aeronautics and Space Administration (NASA) and was supported by the Upper Atmosphere Research and Tropospheric Chemistry Programs. C.A.T. contributed advice on Criegee intermediate kinetics and is supported by the Office of Chemical Sciences, Geosciences, and Biosciences Office of Basic Energy Sciences, United States Department of Energy (USDOE). The Sandia National Laboratories is a multimission laboratory managed and operated by the National Technology and Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the USDOE?s National Nuclear Security Administration under contract DE-NA0003525. This paper describes objective technical results and analysis. Any subjective views or opinions that might be expressed in the paper do not necessarily represent the views of the USDOE or the United States Government. Publisher Copyright: {\textcopyright} 2021 American Chemical Society.",

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language = "English",

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Holland, RET , Khan, MAH, Driscoll, I, Chhantyal-Pun, R, Derwent, RG, Taatjes, CA, Orr-Ewing, AJ, Percival, CJ & Shallcross, DE 2021, 'Investigation of the Production of Trifluoroacetic Acid from Two Halocarbons, HFC-134a and HFO-1234yf and Its Fates Using a Global Three-Dimensional Chemical Transport Model', ACS Earth and Space Chemistry, vol. 5, no. 4, pp. 849 - 857. https://doi.org/10.1021/acsearthspacechem.0c00355

Investigation of the Production of Trifluoroacetic Acid from Two Halocarbons, HFC-134a and HFO-1234yf and Its Fates Using a Global Three-Dimensional Chemical Transport Model. / Holland, Rayne E T ; Khan, M. A. H. ; Driscoll, Isabel et al.
In: ACS Earth and Space Chemistry, Vol. 5, No. 4, 15.04.2021, p. 849 - 857.

Research output: Contribution to journal › Article (Academic Journal) › peer-review

TY - JOUR

T1 - Investigation of the Production of Trifluoroacetic Acid from Two Halocarbons, HFC-134a and HFO-1234yf and Its Fates Using a Global Three-Dimensional Chemical Transport Model

AU - Holland, Rayne E T

AU - Khan, M. A. H.

AU - Driscoll, Isabel

AU - Chhantyal-Pun, Rabi

AU - Derwent, Richard G.

AU - Taatjes, Craig A.

AU - Orr-Ewing, Andrew J

AU - Percival, Carl J.

AU - Shallcross, Dudley E

N1 - Funding Information: We thank the NERC (grants NE/K004905/1, NE/I014381/1 and NE/P013104/1), the Bristol ChemLabS, and the Primary Science Teaching Trust under whose auspices various aspects of this work were funded. C.J.P.?s work was carried out at the Jet Propulsion Laboratory California Institute of Technology, under contract with the National Aeronautics and Space Administration (NASA) and was supported by the Upper Atmosphere Research and Tropospheric Chemistry Programs. C.A.T. contributed advice on Criegee intermediate kinetics and is supported by the Office of Chemical Sciences, Geosciences, and Biosciences Office of Basic Energy Sciences, United States Department of Energy (USDOE). The Sandia National Laboratories is a multimission laboratory managed and operated by the National Technology and Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the USDOE?s National Nuclear Security Administration under contract DE-NA0003525. This paper describes objective technical results and analysis. Any subjective views or opinions that might be expressed in the paper do not necessarily represent the views of the USDOE or the United States Government. Publisher Copyright: © 2021 American Chemical Society.

PY - 2021/4/15

Y1 - 2021/4/15

N2 - Trifluoroacetic acid (TFA), a highly soluble and stable organic acid, is photochemically produced by certain anthropogenically emitted halocarbons such as HFC-134a and HFO-1234yf. Both these halocarbons are used as refrigerants in the automobile industry and the high global warming potential of HFC-134a has promoted regulation of its use. Industries are transitioning to the use of HFO-1234yf as a more environmentally friendly alternative. We investigated the environmental effects of this change and found a thirty-three-fold increase in the global burden of TFA from an annual value of 65 tonnes formed from the 2015 emissions of HFC-134a, to a value of 2200 tonnes formed from an equivalent emission of HFO-1234yf. The percentage increase in surface TFA concentrations resulting from the switch from HFC-134a to HFO-1234yf remains substantial with an increase of up to 250-fold across Europe. The increase in emissions greater than the current emission scenario of HFO-1234yf is likely to result in significant TFA burden as the atmosphere is not able to disperse and deposit relevant oxidation products. The Criegee intermediate initiated loss process of TFA reduces the surface level atmospheric lifetime of TFA by up to 5 days (from 8 days to 3 days) in tropical forested regions.

AB - Trifluoroacetic acid (TFA), a highly soluble and stable organic acid, is photochemically produced by certain anthropogenically emitted halocarbons such as HFC-134a and HFO-1234yf. Both these halocarbons are used as refrigerants in the automobile industry and the high global warming potential of HFC-134a has promoted regulation of its use. Industries are transitioning to the use of HFO-1234yf as a more environmentally friendly alternative. We investigated the environmental effects of this change and found a thirty-three-fold increase in the global burden of TFA from an annual value of 65 tonnes formed from the 2015 emissions of HFC-134a, to a value of 2200 tonnes formed from an equivalent emission of HFO-1234yf. The percentage increase in surface TFA concentrations resulting from the switch from HFC-134a to HFO-1234yf remains substantial with an increase of up to 250-fold across Europe. The increase in emissions greater than the current emission scenario of HFO-1234yf is likely to result in significant TFA burden as the atmosphere is not able to disperse and deposit relevant oxidation products. The Criegee intermediate initiated loss process of TFA reduces the surface level atmospheric lifetime of TFA by up to 5 days (from 8 days to 3 days) in tropical forested regions.

KW - anthropogenic halocarbons

KW - trifluoroacetic acid

KW - atmospheric lifetime

KW - global burden

KW - Criegee intermediates

U2 - 10.1021/acsearthspacechem.0c00355

DO - 10.1021/acsearthspacechem.0c00355

M3 - Article (Academic Journal)

SN - 2472-3452

VL - 5

SP - 849

EP - 857

JO - ACS Earth and Space Chemistry

JF - ACS Earth and Space Chemistry

IS - 4

ER -

Holland RET , Khan MAH, Driscoll I, Chhantyal-Pun R, Derwent RG, Taatjes CA et al. Investigation of the Production of Trifluoroacetic Acid from Two Halocarbons, HFC-134a and HFO-1234yf and Its Fates Using a Global Three-Dimensional Chemical Transport Model. ACS Earth and Space Chemistry. 2021 Apr 15;5(4):849 - 857. Epub 2021 Mar 10. doi: 10.1021/acsearthspacechem.0c00355

Investigation of the Production of Trifluoroacetic Acid from Two Halocarbons, HFC-134a and HFO-1234yf and Its Fates Using a Global Three-Dimensional Chemical Transport Model

Abstract

Bibliographical note

Keywords

Access to Document

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Projects

Kinetic Studies of Reactive Intermediates from the Oxidation of Atmospheric Alkenes

Gas phase studies of the kinetics of Criegee Intermediates

Student theses

Building an evidence base for future air quality policy through global modelling and urban data analysis

Cite this