Articles | Volume 12, issue 2
https://doi.org/10.5194/essd-12-1203-2020
© 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/essd-12-1203-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Database for the kinetics of the gas-phase atmospheric reactions of organic compounds
Max R. McGillen
CORRESPONDING AUTHOR
Institut de Combustion, Aérothermique, Réactivité et
Environnement (ICARE), CNRS/OSUC, 45071 Orléans CEDEX 2, France
Le Studium Loire Valley Institute for Advanced Studies, Orléans, France
William P. L. Carter
College of Engineering, Center for Environmental Research and
Technology (CE-CERT), University of California, Riverside, CA 92521, USA
Abdelwahid Mellouki
Institut de Combustion, Aérothermique, Réactivité et
Environnement (ICARE), CNRS/OSUC, 45071 Orléans CEDEX 2, France
John J. Orlando
Atmospheric Chemistry Observations and Modeling Laboratory, National
Center for Atmospheric Research, Boulder, CO 80307, USA
Bénédicte Picquet-Varrault
Laboratoire Interuniversitaire des Systèmes Atmosphériques (LISA),
UMR 7583 CNRS, Universités Paris-Est Créteil et Paris Diderot, Institut
Pierre-Simon Laplace, Créteil CEDEX, France
Timothy J. Wallington
Research & Advanced Engineering, Ford Motor Company, Dearborn, MI 48121-2053, USA
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Cited
65 citations as recorded by crossref.
- On the changes in surface ozone over the twenty-first century: sensitivity to changes in surface temperature and chemical mechanisms A. Archibald et al. 10.1098/rsta.2019.0329
- Atmospheric degradation of 3-ethoxy-1-propanol by reactions with Cl, OH and NO3 I. Aranda et al. 10.1016/j.chemosphere.2021.130755
- Transfer Learning Approach to Multitarget Temperature-Dependent Reaction Rate Prediction E. Al Ibrahim & A. Farooq 10.1021/acs.jpca.2c00713
- Ozonolysis can produce long-lived greenhouse gases from commercial refrigerants M. McGillen et al. 10.1073/pnas.2312714120
- Missing Measurements of Sesquiterpene Ozonolysis Rates and Composition Limit Understanding of Atmospheric Reactivity G. Isaacman-VanWertz et al. 10.1021/acs.est.3c10348
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- 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
- Gas-Phase Rate Coefficient of OH + 1,2-Epoxybutane Determined between 220 and 950 K H. El Othmani et al. 10.1021/acsearthspacechem.1c00050
- 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
- Effects of detention time and ozone dosage on organic content removal and biodegradability index in high salinity leachate M. Sari et al. 10.5004/dwt.2023.29271
- Atmospheric degradation of 2-Isopropoxyethanol: Reactions with Cl, OH and NO3 I. Aranda et al. 10.1016/j.atmosenv.2024.120420
- Developing the Maximum Incremental Reactivity for Volatile Organic Compounds in Major Cities of Central‐Eastern China Y. Zhang et al. 10.1029/2022JD037296
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- The fate of methyl salicylate in the environment and its role as signal in multitrophic interactions Y. Ren et al. 10.1016/j.scitotenv.2020.141406
- Development of ozone reactivity scales for volatile organic compounds in a Chinese megacity Y. Zhang et al. 10.5194/acp-21-11053-2021
- Kinetic and Mechanistic Study of the Reactions of NO3 Radicals with Unsaturated Aldehydes: 2-Butenal, 2-Methyl-2-butenal, and 3-Methyl-2-butenal B. Picquet-Varrault et al. 10.1021/acs.jpca.2c04216
- Gas-phase rate coefficient of OH + cyclohexene oxide measured from 251 to 373 K H. El Othmani et al. 10.1016/j.cplett.2021.139056
- With a little help from our (AI) friend: A general transition state sampling method for tropospheric hydrogen abstraction reactions L. Viegas & B. Galvão 10.1016/j.atmosenv.2024.120515
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- Atmospheric Fate of a New Polyfluoroalkyl Building Block, C3F7OCHFCF2SCH2CH2OH S. Joudan et al. 10.1021/acs.est.0c07584
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- Season-wise analyses of VOCs, hydroxyl radicals and ozone formation chemistry over north-west India reveal isoprene and acetaldehyde as the most potent ozone precursors throughout the year V. Kumar & V. Sinha 10.1016/j.chemosphere.2021.131184
- Gridded 1 km × 1 km emission inventory for paddy stubble burning emissions over north-west India constrained by measured emission factors of 77 VOCs and district-wise crop yield data A. Kumar et al. 10.1016/j.scitotenv.2021.148064
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- Effects of Relative Humidity and Photoaging on the Formation, Composition, and Aging of Ethylbenzene SOA: Insights from Chamber Experiments on Chlorine Radical-Initiated Oxidation of Ethylbenzene L. Jahn et al. 10.1021/acsearthspacechem.3c00279
- Contamination of tea leaves by anthraquinone: The atmosphere as a possible source C. Li et al. 10.1007/s13280-023-01858-9
- Geoenvironmental assessment of climate impacts from landfill gas emissions J. Hanson et al. 10.1016/j.sandf.2023.101279
- Climate impacts of landfill gas emissions: Analysis for 20-year and 100-year time horizons D. Manheim et al. 10.1016/j.wasman.2024.06.015
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- Probing wintertime air pollution sources in the Indo-Gangetic Plain through 52 hydrocarbons measured rarely at Delhi & Mohali A. Kumar et al. 10.1016/j.scitotenv.2021.149711
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- Spatiotemporal footprints of odor compounds in megacity’s food waste streams and policy implication L. Zhang et al. 10.1016/j.jhazmat.2022.129423
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- RTEII: A new high-resolution (0.1° × 0.1°) road transport emission inventory for India of 74 speciated NMVOCs, CO, NOx, NH3, CH4, CO2, PM2.5 reveals massive overestimation of NOx and CO and missing nitromethane emissions by existing inventories H. Hakkim et al. 10.1016/j.aeaoa.2021.100118
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- Ubiquity of Anthropogenic Terpenoids in Cities Worldwide: Emission Ratios, Emission Quantification and Implications for Urban Atmospheric Chemistry A. Borbon et al. 10.1029/2022JD037566
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63 citations as recorded by crossref.
- On the changes in surface ozone over the twenty-first century: sensitivity to changes in surface temperature and chemical mechanisms A. Archibald et al. 10.1098/rsta.2019.0329
- Atmospheric degradation of 3-ethoxy-1-propanol by reactions with Cl, OH and NO3 I. Aranda et al. 10.1016/j.chemosphere.2021.130755
- Transfer Learning Approach to Multitarget Temperature-Dependent Reaction Rate Prediction E. Al Ibrahim & A. Farooq 10.1021/acs.jpca.2c00713
- Ozonolysis can produce long-lived greenhouse gases from commercial refrigerants M. McGillen et al. 10.1073/pnas.2312714120
- Missing Measurements of Sesquiterpene Ozonolysis Rates and Composition Limit Understanding of Atmospheric Reactivity G. Isaacman-VanWertz et al. 10.1021/acs.est.3c10348
- 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
- Temperature-dependent aqueous OH kinetics of C2–C10 linear and terpenoid alcohols and diols: new rate coefficients, structure–activity relationship, and atmospheric lifetimes B. Witkowski et al. 10.5194/acp-24-663-2024
- 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
- Gas-Phase Rate Coefficient of OH + 1,2-Epoxybutane Determined between 220 and 950 K H. El Othmani et al. 10.1021/acsearthspacechem.1c00050
- 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
- Effects of detention time and ozone dosage on organic content removal and biodegradability index in high salinity leachate M. Sari et al. 10.5004/dwt.2023.29271
- Atmospheric degradation of 2-Isopropoxyethanol: Reactions with Cl, OH and NO3 I. Aranda et al. 10.1016/j.atmosenv.2024.120420
- Developing the Maximum Incremental Reactivity for Volatile Organic Compounds in Major Cities of Central‐Eastern China Y. Zhang et al. 10.1029/2022JD037296
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- A Multiconformational Transition State Theory Approach to OH Tropospheric Degradation of Fluorotelomer Aldehydes L. Viegas 10.1002/cphc.202300259
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- A machine learning method to predict rate constants for various reactions in combustion kinetic models N. Li et al. 10.1016/j.combustflame.2024.113375
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- The fate of methyl salicylate in the environment and its role as signal in multitrophic interactions Y. Ren et al. 10.1016/j.scitotenv.2020.141406
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- Kinetic and Mechanistic Study of the Reactions of NO3 Radicals with Unsaturated Aldehydes: 2-Butenal, 2-Methyl-2-butenal, and 3-Methyl-2-butenal B. Picquet-Varrault et al. 10.1021/acs.jpca.2c04216
- Gas-phase rate coefficient of OH + cyclohexene oxide measured from 251 to 373 K H. El Othmani et al. 10.1016/j.cplett.2021.139056
- With a little help from our (AI) friend: A general transition state sampling method for tropospheric hydrogen abstraction reactions L. Viegas & B. Galvão 10.1016/j.atmosenv.2024.120515
- 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
- Large simulated future changes in the nitrate radical under the CMIP6 SSP scenarios: implications for oxidation chemistry S. Archer-Nicholls et al. 10.5194/acp-23-5801-2023
- Atmospheric Chemistry of Methyl Isocyanide–An Experimental and Theoretical Study S. Antonsen et al. 10.1021/acs.jpca.0c05127
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- Experimental and Theoretical Study of the OH-Initiated Degradation of Ethylenediamine (NH2CH2CH2NH2) under Simulated Atmospheric Conditions. Part 1: Kinetics of the Ethylenediamine + OH Gas Phase Reaction T. Mikoviny et al. 10.1021/acsearthspacechem.4c00271
- Atmospheric Fate of a New Polyfluoroalkyl Building Block, C3F7OCHFCF2SCH2CH2OH S. Joudan et al. 10.1021/acs.est.0c07584
- Kinetic and reactivity of gas-phase reaction of acyclic dienes with hydroxyl radical in the 273–318 K temperature range C. Xue et al. 10.1039/D3RA08750F
- 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
- Monsoon and post-monsoon measurements of 53 non-methane hydrocarbons (NMHCs) in megacity Delhi and Mohali reveal similar NMHC composition across seasons M. Shabin et al. 10.1016/j.uclim.2024.101983
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- The use of the electrotopological state as a basis for predicting hydrogen abstraction rate coefficients: a proof of principle for the reactions of alkanes and haloalkanes with OH M. McGillen et al. 10.1039/D3EA00147D
- Multiconformer transition state theory rate constant and branching ratios for the OH‐initiated reaction of CH3OCF2CHF2 and its primary product, HC(O)OCF2CHF2 L. Viegas 10.1002/poc.4470
- Gas-Phase Chlorine Radical Oxidation of Alkanes: Effects of Structural Branching, NOx, and Relative Humidity Observed during Environmental Chamber Experiments L. Jahn et al. 10.1021/acs.jpca.1c03516
- Estimation of Rate Constants for Reactions of Organic Compounds under Atmospheric Conditions W. Carter 10.3390/atmos12101250
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- 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
- Experimental and theoretical study of the reactivity of a series of epoxides with chlorine atoms at 298 K C. Tovar et al. 10.1039/D0CP06033J
- The Common Representative Intermediates Mechanism Version 2 in the United Kingdom Chemistry and Aerosols Model S. Archer‐Nicholls et al. 10.1029/2020MS002420
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- Gridded 1 km × 1 km emission inventory for paddy stubble burning emissions over north-west India constrained by measured emission factors of 77 VOCs and district-wise crop yield data A. Kumar et al. 10.1016/j.scitotenv.2021.148064
- Atmospheric Chemistry of HOHg(II)O• Mimics That of a Hydroxyl Radical D. Hewa Edirappulige et al. 10.1021/acs.jpca.3c04159
- 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
- Fate of 1,3-dioxolane in the troposphere: kinetics, mechanism with theoretical support, and atmospheric implications A. Virmani et al. 10.1007/s10874-023-09446-7
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- Contamination of tea leaves by anthraquinone: The atmosphere as a possible source C. Li et al. 10.1007/s13280-023-01858-9
- Geoenvironmental assessment of climate impacts from landfill gas emissions J. Hanson et al. 10.1016/j.sandf.2023.101279
- Climate impacts of landfill gas emissions: Analysis for 20-year and 100-year time horizons D. Manheim et al. 10.1016/j.wasman.2024.06.015
- Atmospheric Chemistry of 2-Amino-2-methyl-1-propanol: A Theoretical and Experimental Study of the OH-Initiated Degradation under Simulated Atmospheric Conditions W. Tan et al. 10.1021/acs.jpca.1c04898
- Probing wintertime air pollution sources in the Indo-Gangetic Plain through 52 hydrocarbons measured rarely at Delhi & Mohali A. Kumar et al. 10.1016/j.scitotenv.2021.149711
- Gas-Phase Ozone Reaction Kinetics of C5–C8Unsaturated Alcohols of Biogenic Interest A. Grira et al. 10.1021/acs.jpca.2c02805
- Spatiotemporal footprints of odor compounds in megacity’s food waste streams and policy implication L. Zhang et al. 10.1016/j.jhazmat.2022.129423
- 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
- RTEII: A new high-resolution (0.1° × 0.1°) road transport emission inventory for India of 74 speciated NMVOCs, CO, NOx, NH3, CH4, CO2, PM2.5 reveals massive overestimation of NOx and CO and missing nitromethane emissions by existing inventories H. Hakkim et al. 10.1016/j.aeaoa.2021.100118
- Experimental and Theoretical Study of the OH-Initiated Degradation of Piperazine under Simulated Atmospheric Conditions W. Tan et al. 10.1021/acs.jpca.0c10223
- Ubiquity of Anthropogenic Terpenoids in Cities Worldwide: Emission Ratios, Emission Quantification and Implications for Urban Atmospheric Chemistry A. Borbon et al. 10.1029/2022JD037566
2 citations as recorded by crossref.
- Climate Change Effects of Gases from Municipal Solid Waste Landfills D. Manheim et al. 10.3208/jgssp.v09.cpeg035
- Temperature-dependent aqueous OH kinetics of C2–C10 linear and terpenoid alcohols and diols: new rate coefficients, structure–activity relationship, and atmospheric lifetimes B. Witkowski et al. 10.5194/acp-24-663-2024
Latest update: 05 Dec 2024
Short summary
The gas-phase reactions of organic compounds in the atmosphere are a crucial step in the degradation of anthropogenic and biogenic emissions and the formation of secondary pollutants. This work is an attempt to produce a dataset that is as comprehensive as possible regarding the multitude of chemicals that react in the atmosphere. We find that we are able to make substantial improvements upon previous compendia and that this progress will help improve our understanding of atmospheric chemistry.
The gas-phase reactions of organic compounds in the atmosphere are a crucial step in the...
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