Articles | Volume 18, issue 13
https://doi.org/10.5194/acp-18-9297-2018
© Author(s) 2018. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-18-9297-2018
© Author(s) 2018. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
04 Jul 2018
Research article |
| 04 Jul 2018
| 04 Jul 2018
Estimation of rate coefficients and branching ratios for gas-phase reactions of OH with aliphatic organic compounds for use in automated mechanism construction
Michael E. Jenkin
CORRESPONDING AUTHOR
Atmospheric Chemistry Services, Okehampton, Devon, EX20 4QB, UK
School of Chemistry, University of Bristol, Cantock's Close, Bristol,
BS8 1TS, UK
Richard Valorso
LISA, UMR CNRS 7583, Université Paris Est Créteil et
Université Paris Diderot, Institut Pierre Simon Laplace, 94010
Créteil, France
Bernard Aumont
LISA, UMR CNRS 7583, Université Paris Est Créteil et
Université Paris Diderot, Institut Pierre Simon Laplace, 94010
Créteil, France
Andrew R. Rickard
Wolfson Atmospheric Chemistry Laboratories, Department of Chemistry,
University of York, York, YO10 5DD, UK
National Centre for Atmospheric Science, University of York, York,
YO10 5DD, UK
Timothy J. Wallington
Research and Advanced Engineering, Ford Motor Company, SRL-3083,
P.O. Box 2053, Dearborn, MI 48121-2053, USA
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42 citations as recorded by crossref.
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- The gas-phase reaction kinetics of different structure of unsaturated alcohols and ketones with O3 W. Li et al. 10.1016/j.atmosenv.2021.118394
- Rate coefficients for the reactions of OH radical and ozone with a series of unsaturated esters Y. Ren et al. 10.1016/j.atmosenv.2018.12.017
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42 citations as recorded by crossref.
- Estimation of rate coefficients for the reactions of O<sub>3</sub> with unsaturated organic compounds for use in automated mechanism construction M. Jenkin et al. 10.5194/acp-20-12921-2020
- Kinetic study of the atmospheric oxidation of a series of epoxy compounds by OH radicals C. Tovar et al. 10.5194/acp-22-6989-2022
- Estimation of rate coefficients and branching ratios for reactions of organic peroxy radicals for use in automated mechanism construction M. Jenkin et al. 10.5194/acp-19-7691-2019
- Impact of organic molecular structure on the estimation of atmospherically relevant physicochemical parameters G. Isaacman-VanWertz & B. Aumont 10.5194/acp-21-6541-2021
- On the importance of multiphase photolysis of organic nitrates on their global atmospheric removal J. González-Sánchez et al. 10.5194/acp-23-5851-2023
- Rate coefficients of hydroxyl radical reaction with 1-chlorocyclopentene over a temperature range of 262–335 K A. Sharma et al. 10.1016/j.cplett.2021.138816
- Estimation of mechanistic parameters in the gas-phase reactions of ozone with alkenes for use in automated mechanism construction M. Newland et al. 10.5194/acp-22-6167-2022
- Urban and Remote cheMistry modELLing with the new chemical mechanism URMELL: part I gas-phase mechanism development M. Luttkus et al. 10.1039/D3EA00094J
- Atmospheric chemistry of trifluorodicarbonyls initiated by Cl atoms: Reactivity trends, mechanism, and acid formation yields P. Lugo et al. 10.1016/j.jes.2024.02.033
- The gas-phase reaction kinetics of different structure of unsaturated alcohols and ketones with O3 W. Li et al. 10.1016/j.atmosenv.2021.118394
- Rate coefficients for the reactions of OH radical and ozone with a series of unsaturated esters Y. Ren et al. 10.1016/j.atmosenv.2018.12.017
- Extension, development, and evaluation of the representation of the OH-initiated dimethyl sulfide (DMS) oxidation mechanism in the Master Chemical Mechanism (MCM) v3.3.1 framework L. Jacob et al. 10.5194/acp-24-3329-2024
- Evolution of Atmospheric Total Organic Carbon from Petrochemical Mixtures K. Li et al. 10.1021/acs.est.1c02620
- Estimation of Rate Constants for Reactions of Organic Compounds under Atmospheric Conditions W. Carter 10.3390/atmos12101250
- Atmospheric oxidation of <i>α</i>,<i>β</i>-unsaturated ketones: kinetics and mechanism of the OH radical reaction N. Illmann et al. 10.5194/acp-21-13667-2021
- Developing the Maximum Incremental Reactivity for Volatile Organic Compounds in Major Cities of Central‐Eastern China Y. Zhang et al. 10.1029/2022JD037296
- The Common Representative Intermediates Mechanism Version 2 in the United Kingdom Chemistry and Aerosols Model S. Archer‐Nicholls et al. 10.1029/2020MS002420
- Investigating the Impacts of Nonacyl Peroxy Nitrates on the Global Composition of the Troposphere Using a 3-D Chemical Transport Model, STOCHEM-CRI M. Khan et al. 10.1021/acsearthspacechem.0c00133
- Diurnal photodegradation of fluorinated diketones (FDKs) by OH radicals using different atmospheric simulation chambers: Role of keto-enol tautomerization on reactivity P. Lugo et al. 10.1016/j.chemosphere.2021.131562
- Estimation of rate coefficients and branching ratios for gas-phase reactions of OH with aromatic organic compounds for use in automated mechanism construction M. Jenkin et al. 10.5194/acp-18-9329-2018
- Reactions of tropospheric oxidants- Cl, OH and O3 with cyclic hydrocarbons with eight carbon atoms at 298 K A. Sharma et al. 10.1016/j.atmosenv.2019.06.024
- Importance of isomerization reactions for OH radical regeneration from the photo-oxidation of isoprene investigated in the atmospheric simulation chamber SAPHIR A. Novelli et al. 10.5194/acp-20-3333-2020
- Atmospheric photo-oxidation of myrcene: OH reaction rate constant, gas-phase oxidation products and radical budgets Z. Tan et al. 10.5194/acp-21-16067-2021
- Estimation of secondary organic aerosol viscosity from explicit modeling of gas-phase oxidation of isoprene and <i>α</i>-pinene T. Galeazzo et al. 10.5194/acp-21-10199-2021
- Atmospheric photooxidation and ozonolysis of Δ<sup>3</sup>-carene and 3-caronaldehyde: rate constants and product yields L. Hantschke et al. 10.5194/acp-21-12665-2021
- Formation of Substituted Alkyls as Precursors of Peroxy Radicals with a Rapid H-Shift in the Atmosphere X. Wu et al. 10.1021/acs.jpclett.1c02503
- Investigations into the gas-phase photolysis and OH radical kinetics of nitrocatechols: implications of intramolecular interactions on their atmospheric behaviour C. Roman et al. 10.5194/acp-22-2203-2022
- Kinetics of the reaction of OH radical with Ethylfluoroacetate (EFA), Ethyl 4,4,4-trifluorobutyrate (ETB), and Butylfluoroacetate (BFA) P. Lugo et al. 10.1016/j.jes.2024.02.026
- Atmospheric Autoxidation of Amines K. Møller et al. 10.1021/acs.est.0c03937
- Atmospheric oxidation of new “green” solvents – Part 2: methyl pivalate and pinacolone C. Mapelli et al. 10.5194/acp-23-7767-2023
- An aldehyde as a rapid source of secondary aerosol precursors: theoretical and experimental study of hexanal autoxidation S. Barua et al. 10.5194/acp-23-10517-2023
- Rate Constants for the Reaction of OH Radicals with Hydrocarbons in a Smog Chamber at Low Atmospheric Temperatures L. Han et al. 10.3390/atmos9080320
- On the importance of atmospheric loss of organic nitrates by aqueous-phase ●OH oxidation J. González-Sánchez et al. 10.5194/acp-21-4915-2021
- Atmospheric fate of a series of saturated alcohols: kinetic and mechanistic study I. Colmenar et al. 10.5194/acp-20-699-2020
- Aqueous OH kinetics of saturated C6–C10 dicarboxylic acids under acidic and basic conditions between 283 and 318 K; new structure-activity relationship parameters B. Witkowski et al. 10.1016/j.atmosenv.2021.118761
- Photolysis and oxidation by OH radicals of two carbonyl nitrates: 4-nitrooxy-2-butanone and 5-nitrooxy-2-pentanone B. Picquet-Varrault et al. 10.5194/acp-20-487-2020
- Atmospheric Photo-Oxidation of 2-Ethoxyethanol: Autoxidation Chemistry of Glycol Ethers H. Yu et al. 10.1021/acs.jpca.3c04456
- Rate coefficients for reactions of OH with aromatic and aliphatic volatile organic compounds determined by the multivariate relative rate technique J. Shaw et al. 10.5194/acp-20-9725-2020
- Atmospheric breakdown chemistry of the new “green” solvent 2,2,5,5-tetramethyloxolane via gas-phase reactions with OH and Cl radicals C. Mapelli et al. 10.5194/acp-22-14589-2022
- Atmospheric photooxidation and ozonolysis of sabinene: reaction rate coefficients, product yields, and chemical budget of radicals J. Pang et al. 10.5194/acp-23-12631-2023
- Gas–particle partitioning of toluene oxidation products: an experimental and modeling study V. Lannuque et al. 10.5194/acp-23-15537-2023
- Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway H. Luo et al. 10.5194/acp-23-7297-2023
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Short summary
Organic compounds are emitted in large quantities from natural and human-influenced sources. Removal from the atmosphere occurs mainly by reaction with hydroxyl (OH) radicals, and initiates reaction sequences forming pollutants such as ozone and organic particles. Due to their very large number, it is impossible to measure the removal rate for all compounds, and most have to be estimated. An updated and extended estimation method is reported for use in atmospheric models and impact assessments.
Organic compounds are emitted in large quantities from natural and human-influenced sources....
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