Gas phase precursors to anthropogenic secondary organic aerosol: Using the Master Chemical Mechanism to probe detailed observations of 1,3,5-trimethylbenzene photo-oxidation |
| |
| Authors: | AR Rickard KP Wyche A Metzger PS Monks AM Ellis J Dommen U Baltensperger ME Jenkin MJ Pilling |
| |
| Institution: | 1. National Centre for Atmospheric Science, University of Leeds, Leeds LS2 9JT, UK;2. Department of Chemistry, University of Leicester, Leicester LE1 7RH, UK;3. Laboratory of Atmospheric Chemistry, Paul Scherrer Institut, 5232 Villigen, Switzerland;4. Atmospheric Chemistry Services, Okehampton, Devon EX20 1FB, UK;5. School of Chemistry, University of Leeds, Leeds LS2 9JT, UK;1. Department of Atmospheric Sciences, Center for Atmospheric Chemistry and Environment, Texas A&M University, College Station, TX 77843, USA;2. Department of Chemistry, Center for Atmospheric Chemistry and Environment, Texas A&M University, College Station, TX 77843, USA;3. School of Environmental Science and Engineering, Nanjing University of Information Science & Technology, Nanjing 210044, PR China;4. Institute of Tropical and Marine Meteorology, CMA, Guangdong 510080, PR China;5. Molina Center for Energy and the Environment, La Jolla, CA 92037, USA;6. Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA 92093-0221, USA;7. EPFL ENAC IIE APRL, GR C1 537 (Bâtiment GR), Station 2, CH-1015 Lausanne, Switzerland;8. Institute of Earth Environment, Chinese Academy of Sciences, No 10 Fenghui South Road, Xi''an High-Tech Zone, 710075 Xi''an, PR China;1. Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ, United States;2. Department of Chemical and Environmental Sciences, University of Limerick, Limerick, Ireland;3. Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY, United States;1. University of California, Riverside, Department of Chemical and Environmental Engineering, Riverside, CA 92507, USA;2. College of Engineering-Center for Environmental Research and Technology (CE-CERT), Riverside, CA 92507, USA;1. Department of Physics, University of Helsinki, P.O. Box 64, 00014 Helsinki, Finland;2. University Paris Est Creteil, University Paris-Diderot, LISA, UMR CNRS, 7583, France;3. Chemical Engineering, Delft University of Technology, Delft 2628 BL, The Netherlands;4. Aerodyne Research Inc., Billerica, MA, USA |
| |
| 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/NOx conditions.The 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 (α,β-unsaturated-γ-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. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
