Articles | Volume 20, issue 21
https://doi.org/10.5194/acp-20-12921-2020
© Author(s) 2020. 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-20-12921-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
05 Nov 2020
Research article |
| 05 Nov 2020
| 05 Nov 2020
Estimation of rate coefficients for the reactions of O3 with unsaturated organic compounds for use in automated mechanism construction
Michael E. Jenkin
CORRESPONDING AUTHOR
Atmospheric Chemistry Services, Okehampton, Devon, EX20 4QB, UK
Richard Valorso
LISA, UMR CNRS 7583, Université Paris-Est Créteil,
Université de Paris, Institut Pierre Simon Laplace (IPSL), Créteil,
France
Bernard Aumont
LISA, UMR CNRS 7583, Université Paris-Est Créteil,
Université de Paris, Institut Pierre Simon Laplace (IPSL), Créteil,
France
Mike J. Newland
Wolfson Atmospheric Chemistry Laboratories, Department of Chemistry,
University of York, York, YO10 5DD, UK
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
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19 citations as recorded by crossref.
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- Implementation of a parallel reduction algorithm in the GENerator of reduced Organic Aerosol mechanisms (GENOA v2.0): Application to multiple monoterpene aerosol precursors Z. Wang et al. 10.1016/j.jaerosci.2023.106248
- Prioritization of micropollutants based on removal effort in drinking water purification treatment T. Pronk et al. 10.2166/wqrj.2023.032
- 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
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- Gas-phase reactivity of acyclic α,β-unsaturated carbonyls towards ozone J. Illmann et al. 10.1039/D0CP05881E
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- 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
- Atmospheric Degradation of Ecologically Important Biogenic Volatiles: Investigating the Ozonolysis of (E)-β-Ocimene, Isomers of α and β-Farnesene, α-Terpinene and 6-Methyl-5-Hepten-2-One, and Their Gas-Phase Products D. Touhami et al. 10.1007/s10886-023-01467-6
- Ozone generation and chemistry from 222 nm germicidal ultraviolet light in a fragrant restroom M. Link et al. 10.1039/D4EM00144C
- 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
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- Ether and ester formation from peroxy radical recombination: a qualitative reaction channel analysis L. Franzon et al. 10.5194/acp-24-11679-2024
- Predicting reaction rate constants of organic compounds with oxidants in the atmospheric aqueous-phase through multi-task learning L. Gu & Z. Chen 10.1016/j.atmosenv.2024.120775
- Design, optimization, and evaluation of a wet electrostatic precipitator (ESP) for aerosol collection M. Badami et al. 10.1016/j.atmosenv.2023.119858
- Estimation of Rate Constants for Reactions of Organic Compounds under Atmospheric Conditions W. Carter 10.3390/atmos12101250
- Gas-Phase Reaction Kinetic Study of a Series of Methyl-Butenols with Ozone under Atmospherically Relevant Conditions A. Rusu (Vasilache) et al. 10.1021/acs.jpca.4c03653
- Indoor cooking and cleaning as a source of outdoor air pollution in urban environments T. Carter et al. 10.1039/D3EM00512G
19 citations as recorded by crossref.
- 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
- Long-term evolution of carbonaceous aerosols in PM2.5 during over a decade of atmospheric pollution outbreaks and control in polluted central China Z. Dong et al. 10.1016/j.scitotenv.2024.173089
- Implementation of a parallel reduction algorithm in the GENerator of reduced Organic Aerosol mechanisms (GENOA v2.0): Application to multiple monoterpene aerosol precursors Z. Wang et al. 10.1016/j.jaerosci.2023.106248
- Prioritization of micropollutants based on removal effort in drinking water purification treatment T. Pronk et al. 10.2166/wqrj.2023.032
- 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
- INCHEM-Py v1.2: a community box model for indoor air chemistry D. Shaw et al. 10.5194/gmd-16-7411-2023
- Gas-phase reactivity of acyclic α,β-unsaturated carbonyls towards ozone J. Illmann et al. 10.1039/D0CP05881E
- NO<sub>3</sub> chemistry of wildfire emissions: a kinetic study of the gas-phase reactions of furans with the NO<sub>3</sub> radical M. Newland et al. 10.5194/acp-22-1761-2022
- 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
- Atmospheric Degradation of Ecologically Important Biogenic Volatiles: Investigating the Ozonolysis of (E)-β-Ocimene, Isomers of α and β-Farnesene, α-Terpinene and 6-Methyl-5-Hepten-2-One, and Their Gas-Phase Products D. Touhami et al. 10.1007/s10886-023-01467-6
- Ozone generation and chemistry from 222 nm germicidal ultraviolet light in a fragrant restroom M. Link et al. 10.1039/D4EM00144C
- 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
- 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
- Ether and ester formation from peroxy radical recombination: a qualitative reaction channel analysis L. Franzon et al. 10.5194/acp-24-11679-2024
- Predicting reaction rate constants of organic compounds with oxidants in the atmospheric aqueous-phase through multi-task learning L. Gu & Z. Chen 10.1016/j.atmosenv.2024.120775
- Design, optimization, and evaluation of a wet electrostatic precipitator (ESP) for aerosol collection M. Badami et al. 10.1016/j.atmosenv.2023.119858
- Estimation of Rate Constants for Reactions of Organic Compounds under Atmospheric Conditions W. Carter 10.3390/atmos12101250
- Gas-Phase Reaction Kinetic Study of a Series of Methyl-Butenols with Ozone under Atmospherically Relevant Conditions A. Rusu (Vasilache) et al. 10.1021/acs.jpca.4c03653
- Indoor cooking and cleaning as a source of outdoor air pollution in urban environments T. Carter et al. 10.1039/D3EM00512G
Latest update: 20 Nov 2024
Short summary
Unsaturated organic compounds are emitted in large quantities from natural and human-influenced sources. Atmospheric removal occurs significantly by reaction with ozone, initiating reaction sequences forming free radicals and organic pollutants in the gaseous and particulate phases. Due to their very large number, it is impossible to study the reaction rate for every compound, and most have to be estimated. Updated and extended estimation methods are reported for use in atmospheric models.
Unsaturated organic compounds are emitted in large quantities from natural and human-influenced...
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