Articles | Volume 19, issue 11
https://doi.org/10.5194/acp-19-7691-2019
https://doi.org/10.5194/acp-19-7691-2019
Research article
 | 
07 Jun 2019
Research article |  | 07 Jun 2019

Estimation of rate coefficients and branching ratios for reactions of organic peroxy radicals for use in automated mechanism construction

Michael E. Jenkin, Richard Valorso, Bernard Aumont, and Andrew R. Rickard

Related authors

Estimation of mechanistic parameters in the gas-phase reactions of ozone with alkenes for use in automated mechanism construction
Mike J. Newland, Camille Mouchel-Vallon, Richard Valorso, Bernard Aumont, Luc Vereecken, Michael E. Jenkin, and Andrew R. Rickard
Atmos. Chem. Phys., 22, 6167–6195, https://doi.org/10.5194/acp-22-6167-2022,https://doi.org/10.5194/acp-22-6167-2022, 2022
Short summary
Opinion: The germicidal effect of ambient air (open-air factor) revisited
R. Anthony Cox, Markus Ammann, John N. Crowley, Paul T. Griffiths, Hartmut Herrmann, Erik H. Hoffmann, Michael E. Jenkin, V. Faye McNeill, Abdelwahid Mellouki, Christopher J. Penkett, Andreas Tilgner, and Timothy J. Wallington
Atmos. Chem. Phys., 21, 13011–13018, https://doi.org/10.5194/acp-21-13011-2021,https://doi.org/10.5194/acp-21-13011-2021, 2021
Short summary
Improvements to the representation of BVOC chemistry–climate interactions in UKCA (v11.5) with the CRI-Strat 2 mechanism: incorporation and evaluation
James Weber, Scott Archer-Nicholls, Nathan Luke Abraham, Youngsub M. Shin, Thomas J. Bannan, Carl J. Percival, Asan Bacak, Paulo Artaxo, Michael Jenkin, M. Anwar H. Khan, Dudley E. Shallcross, Rebecca H. Schwantes, Jonathan Williams, and Alex T. Archibald
Geosci. Model Dev., 14, 5239–5268, https://doi.org/10.5194/gmd-14-5239-2021,https://doi.org/10.5194/gmd-14-5239-2021, 2021
Short summary
Evaluated kinetic and photochemical data for atmospheric chemistry: volume VIII – gas-phase reactions of organic species with four, or more, carbon atoms ( ≥  C4)
Abdelwahid Mellouki, Markus Ammann, R. Anthony Cox, John N. Crowley, Hartmut Herrmann, Michael E. Jenkin, V. Faye McNeill, Jürgen Troe, and Timothy J. Wallington
Atmos. Chem. Phys., 21, 4797–4808, https://doi.org/10.5194/acp-21-4797-2021,https://doi.org/10.5194/acp-21-4797-2021, 2021
Short summary
Evaluated kinetic and photochemical data for atmospheric chemistry: Volume VII – Criegee intermediates
R. Anthony Cox, Markus Ammann, John N. Crowley, Hartmut Herrmann, Michael E. Jenkin, V. Faye McNeill, Abdelwahid Mellouki, Jürgen Troe, and Timothy J. Wallington
Atmos. Chem. Phys., 20, 13497–13519, https://doi.org/10.5194/acp-20-13497-2020,https://doi.org/10.5194/acp-20-13497-2020, 2020
Short summary

Related subject area

Subject: Gases | Research Activity: Atmospheric Modelling and Data Analysis | Altitude Range: Troposphere | Science Focus: Chemistry (chemical composition and reactions)
Soil deposition of atmospheric hydrogen constrained using planetary-scale observations
Alexander K. Tardito Chaudhri and David S. Stevenson
Atmos. Chem. Phys., 25, 7369–7385, https://doi.org/10.5194/acp-25-7369-2025,https://doi.org/10.5194/acp-25-7369-2025, 2025
Short summary
Comparative ozone production sensitivity to NOx and VOCs in Quito, Ecuador, and Santiago, Chile
María Cazorla, Melissa Trujillo, Rodrigo Seguel, and Laura Gallardo
Atmos. Chem. Phys., 25, 7087–7109, https://doi.org/10.5194/acp-25-7087-2025,https://doi.org/10.5194/acp-25-7087-2025, 2025
Short summary
South Asia anthropogenic ammonia emission inversion through assimilating IASI observations
Ji Xia, Yi Zhou, Li Fang, Yingfei Qi, Dehao Li, Hong Liao, and Jianbing Jin
Atmos. Chem. Phys., 25, 7071–7086, https://doi.org/10.5194/acp-25-7071-2025,https://doi.org/10.5194/acp-25-7071-2025, 2025
Short summary
A new parameterization of photolysis rates for oxygenated volatile organic compounds (OVOCs)
Yuwen Peng, Bin Yuan, Sihang Wang, Xin Song, Zhe Peng, Wenjie Wang, Suxia Yang, Jipeng Qi, Xianjun He, Yibo Huangfu, Xiao-Bing Li, and Min Shao
Atmos. Chem. Phys., 25, 7037–7052, https://doi.org/10.5194/acp-25-7037-2025,https://doi.org/10.5194/acp-25-7037-2025, 2025
Short summary
Constraining the budget of NOx and volatile organic compounds at a remote tropical island using multi-platform observations and WRF-Chem model simulations
Catalina Poraicu, Jean-François Müller, Trissevgeni Stavrakou, Crist Amelynck, Bert W. D. Verreyken, Niels Schoon, Corinne Vigouroux, Nicolas Kumps, Jérôme Brioude, Pierre Tulet, and Camille Mouchel-Vallon
Atmos. Chem. Phys., 25, 6903–6941, https://doi.org/10.5194/acp-25-6903-2025,https://doi.org/10.5194/acp-25-6903-2025, 2025
Short summary

Cited articles

Anglada, J. M. and Solé, A.: Tropospheric oxidation of methyl hydrotrioxide (CH3OOOH) by hydroxyl radical, Phys. Chem. Chem. Phys., 20, 27406–27417, 2018. 
Archibald, A. T., Petit, A. S., Percival, C. J., Harvey, J. N., and Shallcross, D. E.: On the importance of the reaction between OH and RO2 radicals, Atmos. Sci. Let., 10, 102–108, 2009. 
Arey, J., Aschmann, S. M., Kwok, E. S. C., and Atkinson, R.: Alkyl nitrate, hydroxyalkyl nitrate, and hydroxycarbonyl formation from the NOx–air photooxidations of C5C8 n-alkanes, J. Phys. Chem. A, 105, 1020–1027, https://doi.org/10.1021/jp003292z, 2001. 
Aschmann, S. M., Tuazon, E. C., Arey, J., and Atkinson, R.: Products and mechanisms of the gas-phase reactions of OH radicals with 1-octene and 7-tetradecene in the presence of NO, Environ. Sci. Technol., 44, 3825–3831, 2010. 
Assaf, E., Song, B., Tomas, A., Schoemaecker, C., and Fittschen, C.: Rate constant of the reaction between CH3O2 radicals and OH radicals revisited, J. Phys. Chem. A, 120, 8923–8932, 2016. 
Short summary
Organic compounds are emitted in large amounts from natural and human-influenced sources. Peroxy radicals are key intermediates formed during oxidation of organic compounds, and play a central role in mechanisms forming pollutants such as ozone and organic particles. Due to the large number of different peroxy radicals formed, it is impossible to study the rates of all of their reactions, and most have to be estimated. Updated and new estimation methods are reported for use in atmospheric models
Share
Altmetrics
Final-revised paper
Preprint