Direct observation of the particle-phase bicyclic products from OH-initiated oxidation of 1,3,5-trimethylbenzene under NOx-free conditions - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Atmospheric Environment Année : 2022

Direct observation of the particle-phase bicyclic products from OH-initiated oxidation of 1,3,5-trimethylbenzene under NOx-free conditions

Xiaoxiao Lin
Xiaofeng Tang
Zuoying Wen
  • Fonction : Auteur
Bo Long
Xuejun Gu
  • Fonction : Auteur
Yanbo Gai
  • Fonction : Auteur
Weijun Zhang
  • Fonction : Auteur

Résumé

The OH initiated oxidation of 1,3,5-trimethylbenzene (1,3,5-TMB) under NOx-free conditions has been investigated by using a home-made vacuum ultraviolet (VUV) photoionization aerosol mass spectrometer complemented by high-level theoretical computations. The chemical composition of the nascent particles from the oxidation reaction is measured on-line and the high mass O 2-bridged bicyclic compounds in the particle phase are directly observed and determined, with the aid of the deuterated 1,3,5-TMB experiments to confirm the species' assignment. To illuminate the formation of the O 2-bridged bicyclic compounds, the potential energy surfaces of the reaction of the bicyclic peroxy radical (BPR) with the hydroperoxy radical (HO 2), and of the self-reaction of the BPR radical, have been theoretically calculated and then their reaction mechanisms are discussed in detail. This study provides direct evidence to support the essential role of the O 2-bridged bicyclic compounds in the particle formation from the OH initiated oxidation of 1,3,5-TMB.
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Dates et versions

hal-03853270 , version 1 (15-11-2022)

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Citer

Xiaoxiao Lin, Xiaofeng Tang, Zuoying Wen, Bo Long, Christa Fittschen, et al.. Direct observation of the particle-phase bicyclic products from OH-initiated oxidation of 1,3,5-trimethylbenzene under NOx-free conditions. Atmospheric Environment, 2022, 271 (4), pp.118914. ⟨10.1016/j.atmosenv.2021.118914⟩. ⟨hal-03853270⟩

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