Articles | Volume 18, issue 13
https://doi.org/10.5194/acp-18-9329-2018
© 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-18-9329-2018
© 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 aromatic 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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Cited
35 citations as recorded by crossref.
- Developing the Maximum Incremental Reactivity for Volatile Organic Compounds in Major Cities of Central‐Eastern China Y. Zhang et al. 10.1029/2022JD037296
- Modelling molecular composition of SOA from toluene photo-oxidation at urban and street scales K. Sartelet et al. 10.1039/D4EA00049H
- Gas-phase reaction of benzo[a]anthracene with hydroxyl radical in the atmosphere: products, oxidation mechanism, and kinetics J. Dang & Q. Zhang 10.1007/s00894-018-3862-x
- The Common Representative Intermediates Mechanism Version 2 in the United Kingdom Chemistry and Aerosols Model S. Archer‐Nicholls et al. 10.1029/2020MS002420
- Suppression of the phenolic SOA formation in the presence of electrolytic inorganic seed J. Choi & M. Jang 10.1016/j.scitotenv.2022.158082
- Theoretical study on degradation of polymethyl substituted benzenes by OH radicals in the atmosphere H. Zhao et al. 10.1016/j.chemosphere.2024.141243
- 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
- INCHEM-Py v1.2: a community box model for indoor air chemistry D. Shaw et al. 10.5194/gmd-16-7411-2023
- A Modelling Study of Indoor Air Chemistry: The Surface Interactions of Ozone and Hydrogen Peroxide T. Carter et al. 10.1016/j.atmosenv.2023.119598
- Gas-phase IR cross-sections and single crystal structures data for atmospheric relevant nitrocatechols C. Roman et al. 10.1016/j.saa.2021.120379
- 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
- Evaluation of the Environmental Fate of a Semivolatile Transformation Product of Ibuprofen Based on a Simple Two-Media Fate Model C. Arsene et al. 10.1021/acs.est.2c04867
- Optimizing the iodide-adduct chemical ionization mass spectrometry (CIMS) quantitative method for toluene oxidation intermediates: experimental insights into functional-group differences M. Song et al. 10.5194/amt-17-5113-2024
- Simulation of Secondary Organic Aerosol Formation Using Near-Explicitly Predicted Products from Naphthalene Photooxidation in the Presence of NOx S. Han & M. Jang 10.1021/acsearthspacechem.4c00217
- 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
- Reaction of OH with Aliphatic and Aromatic Isocyanates O. Welz et al. 10.1021/acs.jpca.2c06011
- Theoretical Perspectives on the Gas-Phase Oxidation Mechanism and Kinetics of Carbazole Initiated by OH Radical in the Atmosphere Z. Teng et al. 10.3390/atmos13071129
- Theoretical analysis of the OH-initiated atmospheric oxidation reactions of imidazole T. Golin Almeida et al. 10.1039/D4CP02103G
- New Insights into the Radical Chemistry and Product Distribution in the OH-Initiated Oxidation of Benzene L. Xu et al. 10.1021/acs.est.0c04780
- 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
- 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
- Estimation of Rate Constants for Reactions of Organic Compounds under Atmospheric Conditions W. Carter 10.3390/atmos12101250
- Evaluation of the chemical composition of gas- and particle-phase products of aromatic oxidation A. Mehra et al. 10.5194/acp-20-9783-2020
- Molecular rearrangement of bicyclic peroxy radicals is a key route to aerosol from aromatics S. Iyer et al. 10.1038/s41467-023-40675-2
- Advances on Atmospheric Oxidation Mechanism of Typical Aromatic Hydrocarbons M. Song et al. 10.6023/A21050224
- 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
- Secondary organic aerosols derived from intermediate-volatility n-alkanes adopt low-viscous phase state T. Galeazzo et al. 10.5194/acp-24-5549-2024
- 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
- Estimation of rate coefficients and branching ratios for gas-phase reactions of OH with aliphatic organic compounds for use in automated mechanism construction M. Jenkin et al. 10.5194/acp-18-9297-2018
- Secondary organic aerosol formation from monocyclic aromatic hydrocarbons: insights from laboratory studies Z. Yang et al. 10.1039/D1EM00409C
- 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
- Secondary reactions of aromatics-derived oxygenated organic molecules lead to plentiful highly oxygenated organic molecules within an intraday OH exposure Y. Wang et al. 10.5194/acp-24-7961-2024
- Ether and ester formation from peroxy radical recombination: a qualitative reaction channel analysis L. Franzon et al. 10.5194/acp-24-11679-2024
- Indoor cooking and cleaning as a source of outdoor air pollution in urban environments T. Carter et al. 10.1039/D3EM00512G
- Time-Resolved Molecular Characterization of Secondary Organic Aerosol Formed from OH and NO3Radical Initiated Oxidation of a Mixture of Aromatic Precursors V. Kumar et al. 10.1021/acs.est.3c00225
35 citations as recorded by crossref.
- Developing the Maximum Incremental Reactivity for Volatile Organic Compounds in Major Cities of Central‐Eastern China Y. Zhang et al. 10.1029/2022JD037296
- Modelling molecular composition of SOA from toluene photo-oxidation at urban and street scales K. Sartelet et al. 10.1039/D4EA00049H
- Gas-phase reaction of benzo[a]anthracene with hydroxyl radical in the atmosphere: products, oxidation mechanism, and kinetics J. Dang & Q. Zhang 10.1007/s00894-018-3862-x
- The Common Representative Intermediates Mechanism Version 2 in the United Kingdom Chemistry and Aerosols Model S. Archer‐Nicholls et al. 10.1029/2020MS002420
- Suppression of the phenolic SOA formation in the presence of electrolytic inorganic seed J. Choi & M. Jang 10.1016/j.scitotenv.2022.158082
- Theoretical study on degradation of polymethyl substituted benzenes by OH radicals in the atmosphere H. Zhao et al. 10.1016/j.chemosphere.2024.141243
- 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
- INCHEM-Py v1.2: a community box model for indoor air chemistry D. Shaw et al. 10.5194/gmd-16-7411-2023
- A Modelling Study of Indoor Air Chemistry: The Surface Interactions of Ozone and Hydrogen Peroxide T. Carter et al. 10.1016/j.atmosenv.2023.119598
- Gas-phase IR cross-sections and single crystal structures data for atmospheric relevant nitrocatechols C. Roman et al. 10.1016/j.saa.2021.120379
- 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
- Evaluation of the Environmental Fate of a Semivolatile Transformation Product of Ibuprofen Based on a Simple Two-Media Fate Model C. Arsene et al. 10.1021/acs.est.2c04867
- Optimizing the iodide-adduct chemical ionization mass spectrometry (CIMS) quantitative method for toluene oxidation intermediates: experimental insights into functional-group differences M. Song et al. 10.5194/amt-17-5113-2024
- Simulation of Secondary Organic Aerosol Formation Using Near-Explicitly Predicted Products from Naphthalene Photooxidation in the Presence of NOx S. Han & M. Jang 10.1021/acsearthspacechem.4c00217
- 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
- Reaction of OH with Aliphatic and Aromatic Isocyanates O. Welz et al. 10.1021/acs.jpca.2c06011
- Theoretical Perspectives on the Gas-Phase Oxidation Mechanism and Kinetics of Carbazole Initiated by OH Radical in the Atmosphere Z. Teng et al. 10.3390/atmos13071129
- Theoretical analysis of the OH-initiated atmospheric oxidation reactions of imidazole T. Golin Almeida et al. 10.1039/D4CP02103G
- New Insights into the Radical Chemistry and Product Distribution in the OH-Initiated Oxidation of Benzene L. Xu et al. 10.1021/acs.est.0c04780
- 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
- 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
- Estimation of Rate Constants for Reactions of Organic Compounds under Atmospheric Conditions W. Carter 10.3390/atmos12101250
- Evaluation of the chemical composition of gas- and particle-phase products of aromatic oxidation A. Mehra et al. 10.5194/acp-20-9783-2020
- Molecular rearrangement of bicyclic peroxy radicals is a key route to aerosol from aromatics S. Iyer et al. 10.1038/s41467-023-40675-2
- Advances on Atmospheric Oxidation Mechanism of Typical Aromatic Hydrocarbons M. Song et al. 10.6023/A21050224
- 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
- Secondary organic aerosols derived from intermediate-volatility n-alkanes adopt low-viscous phase state T. Galeazzo et al. 10.5194/acp-24-5549-2024
- 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
- Estimation of rate coefficients and branching ratios for gas-phase reactions of OH with aliphatic organic compounds for use in automated mechanism construction M. Jenkin et al. 10.5194/acp-18-9297-2018
- Secondary organic aerosol formation from monocyclic aromatic hydrocarbons: insights from laboratory studies Z. Yang et al. 10.1039/D1EM00409C
- 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
- Secondary reactions of aromatics-derived oxygenated organic molecules lead to plentiful highly oxygenated organic molecules within an intraday OH exposure Y. Wang et al. 10.5194/acp-24-7961-2024
- Ether and ester formation from peroxy radical recombination: a qualitative reaction channel analysis L. Franzon et al. 10.5194/acp-24-11679-2024
- Indoor cooking and cleaning as a source of outdoor air pollution in urban environments T. Carter et al. 10.1039/D3EM00512G
- Time-Resolved Molecular Characterization of Secondary Organic Aerosol Formed from OH and NO3Radical Initiated Oxidation of a Mixture of Aromatic Precursors V. Kumar et al. 10.1021/acs.est.3c00225
Latest update: 14 Dec 2024
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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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