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Photooxidation of farnesene mixtures in the presence of NOx: Analysis of reaction products and their implication to ambient PM2.5

Metadata Updated: November 12, 2020

Chemical analysis of SOA produced from the irradiation of a mixture of α/β-farnesene/NOx was conducted in a 14.5 cubic meter smog chamber. SOA collected on glass-fiber filters was solvent extracted, derivatized using BSTFA, and analyzed by GC-MS. Gas-phase products were analyzed using a combination of GC-FID and GC-MS. This analysis showed the occurrence of more than 30 SOA oxygenated species and more than 20 in the gas phase. The major SOA components measured include conjugated α farnesene trienols, C3–C7 linear dicarboxylic acids, carbonyl compounds, and hydroxy/carbonyl/carboxylic compounds. In the gas phase, the main species identified were formaldehyde, glyoxal, methylglyoxal, acetone, 2,3-dimethyl-oxirane, 2(3H)-furanone, 2-butenedioic acid, 4 oxopentanal, 4-methylenehex-5-enal, and 6-methylhept-5-en-2-one. Proposed reaction schemes are provided for selected compounds. H-atom abstraction and OH addition in α/β-farnesene oxidation seem to play an important role via the formation of unsaturated radicals containing different numbers of delocalized electrons. Allylic hydrogen abstraction and hydroperoxyalkyl radical channels might play a key role in the oxidation of α/β-farnesene. The contribution of farnesene SOA products to ambient PM2.5 was investigated by analyzing PM2.5 samples collected during SOAS 2013 field study at a site in Research Triangle Park (RTP), NC. The importance of these findings was supported by the occurrence of several organic species in both field and laboratory samples, suggesting the impact of farnesene on the ambient aerosol burden, mainly in areas where farnesene emissions are high. Although, pentanedioic acid and methylsuccinic acid appear to be candidate markers for farnesene SOA, additional chamber and mechanistic studies are required to estimate the contributions of farnesene to ambient SOA.

This dataset is associated with the following publication: Jaoui, M., M. Lewandowski , K. Docherty, E. Corse, B. Lonneman, J. Offenberg , and T. Kleindienst. Photooxidation of farnesene mixtures in the presence of NOx: Analysis of reaction products and their implication to ambient PM2.5. ATMOSPHERIC ENVIRONMENT. Elsevier Science Ltd, New York, NY, USA, 130: 190-201, (2016).

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Public: This dataset is intended for public access and use. License: See this page for license information.

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References

https://doi.org/10.1016/j.atmosenv.2015.10.091
https://pasteur.epa.gov/uploads/238/documents/GC-MS%20source%20file.zip

Dates

Metadata Created Date November 12, 2020
Metadata Updated Date November 12, 2020

Metadata Source

Harvested from EPA ScienceHub

Additional Metadata

Resource Type Dataset
Metadata Created Date November 12, 2020
Metadata Updated Date November 12, 2020
Publisher U.S. EPA Office of Research and Development (ORD)
Maintainer
Identifier A-dr84-238
Data Last Modified 2016-08-25
Public Access Level public
Bureau Code 020:00
Schema Version https://project-open-data.cio.gov/v1.1/schema
Harvest Object Id edba14c6-a5cf-413f-8fad-bbd535fe7ffd
Harvest Source Id 04b59eaf-ae53-4066-93db-80f2ed0df446
Harvest Source Title EPA ScienceHub
License https://pasteur.epa.gov/license/sciencehub-license.html
Program Code 020:094
Publisher Hierarchy U.S. Government > U.S. Environmental Protection Agency > U.S. EPA Office of Research and Development (ORD)
Related Documents https://doi.org/10.1016/j.atmosenv.2015.10.091, https://pasteur.epa.gov/uploads/238/documents/GC-MS%20source%20file.zip
Source Datajson Identifier True
Source Hash 0853eaafc84e33e53a4abf17221f47ba2be3dd0b
Source Schema Version 1.1

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