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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57 citations as recorded by crossref.
- 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
- 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
- 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
- OH radical and Cl atom initiated Reactions of Methyl n-propyl ether: Kinetics and Atmospheric Implications B. Kar & B. Rajakumar 10.1016/j.atmosenv.2024.120717
- Rate coefficients for the reactions of OH radicals with C3–C11 alkanes determined by the relative-rate technique Y. Xin et al. 10.5194/acp-24-11409-2024
- 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
- Theoretical analysis of the OH-initiated atmospheric oxidation reactions of imidazole T. Golin Almeida et al. 10.1039/D4CP02103G
- 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
- Opinion: Challenges and needs of tropospheric chemical mechanism development B. Ervens et al. 10.5194/acp-24-13317-2024
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- Temperature-Dependent, Site-Specific Rate Coefficients for the Reaction of OH (OD) with Methyl Formate Isotopologues via Experimental and Theoretical Studies N. Robertson et al. 10.1021/acs.jpca.4c02524
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- Atmospheric Autoxidation of Amines K. Møller et al. 10.1021/acs.est.0c03937
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- Gas-Phase Kinetics of a Series of cis-3-Hexenyl Esters with OH Radicals under Simulated Atmospheric Conditions C. Mairean et al. 10.1021/acs.jpca.4c03069
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- 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
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- 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
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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
- Kinetics, products and mechanisms of the OH radicals and Cl atoms reactions with trans-2-octene and cycloheptene G. Imwinkelried et al. 10.1016/j.atmosenv.2024.120747
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- Developing the Maximum Incremental Reactivity for Volatile Organic Compounds in Major Cities of Central‐Eastern China Y. Zhang et al. 10.1029/2022JD037296
- Development of a detailed gaseous oxidation scheme of naphthalene for secondary organic aerosol (SOA) formation and speciation V. Lannuque & K. Sartelet 10.5194/acp-24-8589-2024
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- Kinetics of the reaction of OH radical with ethylfluoroacetate, ethyl 4,4,4-trifluorobutyrate, and butylfluoroacetate P. Lugo et al. 10.1016/j.jes.2024.02.026
- Gas-Phase Photolysis and Photo-Oxidation of Isoprene-Derived Atmospherically Relevant Hydroxy Nitrates R. Verma et al. 10.1021/acsestair.4c00010
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- Atmospheric Photo-Oxidation of 2-Ethoxyethanol: Autoxidation Chemistry of Glycol Ethers H. Yu et al. 10.1021/acs.jpca.3c04456
- 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
- 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
- Gas-Phase Kinetic Investigation of the OH-Initiated Oxidation of a Series of Methyl-Butenols under Simulated Atmospheric Conditions A. Rusu (Vasilache) et al. 10.1021/acs.jpca.4c02287
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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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