Preprints
https://doi.org/10.5194/acp-2021-962
https://doi.org/10.5194/acp-2021-962

  10 Dec 2021

10 Dec 2021

Review status: this preprint is currently under review for the journal ACP.

Kinetic Study of the Atmospheric Oxidation of a Series of Epoxy Compounds by OH Radicals

Carmen Maria Tovar1, Ian Barnes1,, Iustinian Gabriel Bejan2, and Peter Wiesen1 Carmen Maria Tovar et al.
  • 1Institute for Atmospheric and Environmental Research, University of Wuppertal, Wuppertal, 42097, Germany
  • 2“Alexandru Ioan Cuza" University of Iasi, Faculty of Chemistry and Integrated Center of Environmental Science Studies in the North-Eastern Region – CERNESIM, Iasi, 700506, Romania
  • deceased, on January 1, 2018

Abstract. The kinetics of the gas-phase reactions of hydroxyl radicals with cyclohexene oxide (CHO), 1,2-epoxyhexane (EHX), 1,2-epoxybutane (12EB), trans-2,3-epoxybutane (tEB) and cis-2,3-epoxybutane (cEB) have been investigated using the relative rate technique. The experiments have been performed at (298 ± 3) K and (760 ± 10) Torr total pressure of synthetic air using different reference compounds in a 1080 l Quartz Reactor (QUAREC) and a 480 l Duran glass chamber. The following room temperature rate coefficients (cm3 molecule−1 s−1) were obtained: k1 (OH+CHO) = (5.93 ± 1.78) × 10−12, k2 (OH+EHX) = (5.77 ± 1.29) × 10−12, k3 (OH+12EB) = (1.98 ± 0.39) × 10−12, k4 (OH+cEB) = (1.50 ± 0.26) × 10−12, k5 (OH+tEB) = (1.81 ± 0.42) × 10−12. With the exception of previous studies for 1,2-epoxybutane and cyclohexene oxide, this is to the best of our knowledge the first kinetic study of the reaction of these compounds with OH radicals. Atmospheric lifetimes, reactivity trends and atmospheric implications are discussed considering the epoxy compound rate coefficients obtained in the present study. In addition to a direct comparison with the literature data where possible, the results from the present study are compared with values estimated from the Structure Activity Relationship method.

Carmen Maria Tovar et al.

Status: open (until 02 Feb 2022)

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on acp-2021-962', Anonymous Referee #1, 11 Jan 2022 reply
  • RC2: 'Comment on acp-2021-962', Anonymous Referee #2, 12 Jan 2022 reply

Carmen Maria Tovar et al.

Carmen Maria Tovar et al.

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Short summary
This work explores the kinetics and reactivity of epoxides towards the OH radical using two different simulation chambers. Estimation of the rate coefficients has also been made using different structure-activity relationship (SAR) approaches. The results indicate a direct influence of the structural and geometric properties of the epoxides non considered in SAR estimations influencing the reactivity of these compounds. The outcomes of this work are in very good agreement with previous studies.
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