Gas phase precursors to anthropogenic secondary organic aerosol: using the Master Chemical Mechanism to probe detailed observations of 1,3,5-trimethylbenzene photo-oxidation

A.R. Rickard, Kevin Wyche, A. Metzger, P.S. Monks, A.M. Ellis, J. Dommen, U. Baltensperger, M.E. Jenkin, M.J. Pilling

Research output: Contribution to journalArticle

Abstract

A detailed gas-phase photochemical chamber box model incorporating the Master Chemical Mechanism (MCMv3 1) degradation scheme for the model anthropogenic aromatic compound 1 3 5-trimethylbenzene has been used to simulate data measured during a series of aerosol chamber experiments in order to evaluate the mechanism under a variety of VOC/NO x conditionsThe chamber model was used in the interpretation of comprehensive high (mass and time) resolution measurements of 1 3 5-trimethylbenzene and its photo-oxidation products recorded by a Chemical Ionisation Reaction Time-of-Flight Mass Spectrometer (CIR-TOF-MS) Supporting gas and aerosol measurements have also enabled us to explore the missing link between the gas and aerosol phases Model-measurement comparisons have been used to gain insight into the complex array of oxygenated products formed including the peroxide bicyclic ring opening products (alpha beta-unsaturated-gamma-dicarbonyls and furanones) and the O2-bridged peroxide bicyclic ring-retaining products To our knowledge this is the first time such high molecular weight species corresponding to various peroxide bicyclic products represented in the MCMv3 1 have been observed in the gas-phase The model was also used to give insight into which gas-phase species were participating in SOA formation with the primary and secondary peroxide products formed primarily under low NOx conditions identified as likely candidates
Original languageEnglish
Pages (from-to)5423-5433
Number of pages11
JournalAtmospheric Environment
Volume44
Issue number40
DOIs
Publication statusPublished - 1 Dec 2010

Bibliographical note

© 2009 Elsevier Ltd. All rights reserved.

Keywords

  • Master Chemical Mechanism
  • Aromatic photochemistry
  • SOA composition
  • Anthropogenic hydrocarbons
  • Chemical ionisation reaction time-of-flight mass spectrometry

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