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New insights into the gas-phase oxidation of isoprene by the nitrate radical from experiments in the atmospheric simulation chamber SAPHIR

Philip Carlsson Patrick Dewald Justin Shenolikar 1 Nils Friedrich John Crowley 2 Steven Brown François Bernard 3 Li Zhou 3 Juliane Fry Bellamy Brownwood Mattias Hallquist Epameinondas Tsiligiannis Xu Kangmin Rupert Holzinger Hendrik Fuchs Luc Vereecken 4 Anna Novelli Birger Bohn Franz Rohrer Thomas Mentel Changmin Cho Peter Edwards 5 Luisa Hantschke Sungah Kang David Reimer 6 Ralf Tillmann 7 Sergej Wedel Rongrong Wu
1 MPIC - Max Planck Institute for Chemistry
2 Cancer Research and Biostatistics
3 ICARE - Institut de Combustion, Aérothermique, Réactivité et Environnement
4 Forschungszentrum Juelich GmbH
5 IBZ - Institute for Integrative Biology [Zürich]
6 Centre de recherche de l'école primaire
7 Forschungszentrum Jülich GmbH
Abstract : Experiments at a set of atmospherically relevant conditions were performed in the simulation chamber SAPHIR, investigating the oxidation of isoprene by the nitrate radical (NO3). An extremely comprehensive set of instruments detected trace gases, radicals, aerosol properties and hydroxyl (OH) and NO3 radical reactivity. The chemical conditions in the chamber were varied to change the fate of the peroxy radicals (RO2) formed after the reaction between NO3 and isoprene from either mainly recombining with other RO2 or mainly reacting with hydroperoxyl radicals (HO2). These major atmospheric pathways for RO2 radicals lead to the formation of organic nitrate compounds which then have different atmospheric fates. The experimental concentration profiles are compared to box model calculations using both the current Master Chemical Mechanism (MCM) as well as recently available literature data alongside new quantum chemical calculations. The discussion here focusses on the resulting RO2 distribution and deviations in the predictions of early products and total alkyl nitrate yields for the different chemical conditions. Preliminary results for instance show too high night time losses of alkyl nitrates due to ozonolysis in the current MCM.
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https://hal-insu.archives-ouvertes.fr/insu-02904614
Contributor : François Bernard <>
Submitted on : Monday, July 27, 2020 - 5:16:06 PM
Last modification on : Monday, December 14, 2020 - 11:42:25 AM

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Philip Carlsson, Patrick Dewald, Justin Shenolikar, Nils Friedrich, John Crowley, et al.. New insights into the gas-phase oxidation of isoprene by the nitrate radical from experiments in the atmospheric simulation chamber SAPHIR. EGU General Assembly 2020, May 2020, Vienne, Austria. ⟨10.5194/egusphere-egu2020-11196⟩. ⟨insu-02904614⟩

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