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Volume 11, issue 1
Atmos. Chem. Phys., 11, 121-132, 2011
https://doi.org/10.5194/acp-11-121-2011
© Author(s) 2011. This work is distributed under
the Creative Commons Attribution 3.0 License.
Atmos. Chem. Phys., 11, 121-132, 2011
https://doi.org/10.5194/acp-11-121-2011
© Author(s) 2011. This work is distributed under
the Creative Commons Attribution 3.0 License.

Research article 06 Jan 2011

Research article | 06 Jan 2011

Second-generation products contribute substantially to the particle-phase organic material produced by β-caryophyllene ozonolysis

Y. J. Li1,2, Q. Chen3, M. I. Guzman*,3, C. K. Chan4,2, and S. T. Martin5,3 Y. J. Li et al.
  • 1Environmental Engineering Program, Hong Kong University of Science and Technology, Hong Kong, China
  • 2Division of Environment, Hong Kong University of Science and Technology, Hong Kong, China
  • 3School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts, USA
  • 4Department of Chemical and Biomolecular Engineering, Hong Kong University of Science and Technology, Hong Kong, China
  • 5Department of Earth and Planetary Sciences, Harvard University, Cambridge, Massachusetts, USA
  • *now at: Department of Chemistry, University of Kentucky, Lexington, Kentucky, USA

Abstract. The production of secondary organic aerosol (SOA) by the dark ozonolysis of gas-phase β-caryophyllene was studied. The experiments were conducted in a continuous-flow environmental chamber for organic particle mass concentrations of 0.5 to 30 μg m−3 and with ozone in excess, thereby allowing the study of second-generation particle-phase products under atmospherically relevant conditions. The particle-phase products were characterized by an ultra-performance liquid chromatograph equipped with an electrospray ionization time-of-flight mass spectrometer (UPLC-ESI-ToF-MS). Fragmentation mass spectra were used for the structural elucidation of each product, and the structures were confirmed as consistent with the accurate m/z values of the parent ions. In total, fifteen products were identified. Of these, three are reported for the first time. The structures showed that 9 out of 15 particle-phase products were second generation, including all three of the new products. The relative abundance of the second-generation products was approximately 90% by mass among the 15 observed products. The O:C and H:C elemental ratios of the 15 products ranged from 0.13 to 0.50 and from 1.43 to 1.60, respectively. Fourteen of the products contained 3 to 5 oxygen atoms. A singular product, which was one of the three newly identified ones, had 7 oxygen atoms, including 1 carboxylic group, 2 carbonyl groups, and 3 hydroxyl groups. It was identified as 2, 3-dihydroxy-4-[2-(4-hydroxy-3-oxobutyl)-3, 3-dimethylcyclobutyl]-4-oxobutanoic acid (C14H22O7). The estimated saturation vapor pressure of this product is 3.3×10−13 Pa, making this product a candidate contributor to new particle formation in the atmosphere.

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