Modeling the influence of chain length on secondary organic aerosol (SOA) formation via multiphase reactions of alkanes

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چکیده

Abstract. Secondary organic aerosol (SOA) from diesel fuel is known to be significantly sourced the atmospheric oxidation of aliphatic hydrocarbons. In this study, formation linear alkane SOA was predicted using Unified Partitioning Aerosol Phase Reaction (UNIPAR) model that simulated multiphase reactions model, oxygenated products photooxidation alkanes a nearly explicit gas kinetic mechanism. Autoxidation paths integrated with alkyl peroxy radicals were added Master Chemical Mechanism v3.3.1 improve prediction low-volatility in phase and mass. The resulting then lumped into volatility- reactivity-based groups are linked mass-based stoichiometric coefficients. mass UNIPAR produced via three major pathways: partitioning gaseous oxidized onto both wet inorganic phases, oligomerization phase, (acid-catalyzed organosulfate formation). performance demonstrated for data through homologous series ranging C9–C15 under varying environments (NOx levels seed conditions) large outdoor photochemical smog chamber. product distributions mathematically as function carbon number an incremental volatility coefficient (IVC) cover wide range lengths. volatility-based distributions, which obtained C9–C12 alkanes, evaluated C13 C15 chamber further extrapolated predict longer-chain (≥ C15) can found diesel. simulation suggests mainly by higher. Alkane insignificantly impacted species due hydrophobicity but influenced gas–particle partitioning.

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Multiphase reactions in secondary organic aerosol formation

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ژورنال

عنوان ژورنال: Atmospheric Chemistry and Physics

سال: 2023

ISSN: ['1680-7316', '1680-7324']

DOI: https://doi.org/10.5194/acp-23-1661-2023