EGU22-7512, updated on 28 Mar 2022
EGU General Assembly 2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.

NO3 radical initiated oxidation products of Δ-3-carene: Characterization and mechanism of formation

Linjie Li1, Christian Mark Salvador2, Michael Priestley1, Epameinondas Tsiligiannis1, and Mattias Hallquist1
Linjie Li et al.
  • 1Department of Chemistry and Molecular Biology, University of Gothenburg, Gothenburg, Sweden
  • 2Balik Scientist Program, Department of Science and Technology - Philippine Council for Industry, Energy and Emerging Technology Research and Development, Bicutan, Taguig 1630, Philippines

A series of experiments of NO3 radical initiated oxidation of monoterpenes (C10H16) were conducted using an oxidation flow reactor (Go:PAM) combined with an iodide high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS). This study characterized the major organonitrate products from NO3 radical initiated oxidation of Δ‑3-Carene with various levels of oxidation, i.e. by increasing the concentration of NO3. C10 monomers (products with 10 carbons) are generally the dominant products of Δ‑3-carene (e.g. C10H15NO7 and C10H17NO5); but where higher oxidant levels enhance fragmentation. In comparison to α-pinene, the  Δ‑3-carene oxidation has a higher propensity to create low volatile species, i.e. promote aerosol formation, mechanistically explained by difference in alkoxy radical (RO) bond scissions. A kinetic model (using FACSIMILE) was developed to simulate the formation of dominant products. The mechanism was based on analogue systems within the Master Chemical Mechanism (MCM) and recently available literature. The fate of RO2 under different chemical regimes was also investigated by comparing model runs and the experimental results.

How to cite: Li, L., Mark Salvador, C., Priestley, M., Tsiligiannis, E., and Hallquist, M.: NO3 radical initiated oxidation products of Δ-3-carene: Characterization and mechanism of formation, EGU General Assembly 2022, Vienna, Austria, 23–27 May 2022, EGU22-7512,, 2022.