Peroxy radical chemistry and the volatility basis set

Schervish, Meredith; Donahue, Neil M.

Gas-phase autoxidation of organics can generate highly oxygenated organic molecules (HOMs) and thus increase secondary organic aerosol production and enable new-particle formation. Here we present a new implementation of the volatility basis set (VBS) that explicitly resolves peroxy radical (inline-formulaRO2) products formed via autoxidation. The model includes a strong temperature dependence for autoxidation as well as explicit termination of inline-formulaRO2, including reactions with NO, inline-formulaHO2, and other inline-formulaRO2. The inline-formulaRO2 cross-reactions can produce dimers (ROOR). We explore the temperature and inline-formulaNOx dependence of this chemistry, showing that temperature strongly influences the intrinsic volatility distribution and that NO can suppress autoxidation under conditions typically found in the atmosphere.

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Schervish, Meredith / Donahue, Neil M.: Peroxy radical chemistry and the volatility basis set. 2020. Copernicus Publications.

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Rechteinhaber: Meredith Schervish

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