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Updated chemical mechanism for atmospheric photooxidation of toluene

Leone, Joseph A. and Seinfeld, John H. (1984) Updated chemical mechanism for atmospheric photooxidation of toluene. International Journal of Chemical Kinetics, 16 (2). pp. 159-193. ISSN 0538-8066. https://resolver.caltech.edu/CaltechAUTHORS:20140702-150501626

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Abstract

A new reaction mechanism describing the atmospheric photochemical oxidation of toluene is formulated and tested against environmental chamber data from the University of California, Riverside, Statewide Air Pollution Research Center (SAPRC). On simulations of toluene—NO_x and toluene—benzaldehyde—NO_x irradiations, the average predicted O_3 and PAN maxima are within 3% of the experimental values. Simulations performed with the new mechanism are used to investigate various mechanistic paths, and to gain insight into areas where our understanding is not complete. Specific areas that are investigated include benzaldehyde photolysis, organic nitrate formation, alternate ring fragmentation pathways, and conjugated γ-dicarbonyl condensation to the aerosol phase.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1002/kin.550160207 DOIArticle
http://onlinelibrary.wiley.com/doi/10.1002/kin.550160207/abstractPublisherArticle
ORCID:
AuthorORCID
Seinfeld, John H.0000-0003-1344-4068
Additional Information:© 1984 John Wiley & Sons, Inc. Received April 12, 1983; Accepted June 22, 1983. This research was supported by the State of California Air Resources Board under agreement A2-042-32 and National Science Foundation under Grant ATM-8208625. We wish to acknowledge W. P. L. Carter for helpful discussions.
Group:Environmental Quality Laboratory
Funders:
Funding AgencyGrant Number
California Air Resources BoardA2-042-32
NSFATM-8208625
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Environmental Quality LaboratoryA-176
Issue or Number:2
Record Number:CaltechAUTHORS:20140702-150501626
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20140702-150501626
Official Citation:Leone, J. A. and Seinfeld, J. H. (1984), Updated chemical mechanism for atmospheric photooxidation of toluene. Int. J. Chem. Kinet., 16: 159–193. doi: 10.1002/kin.550160207
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:46646
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:02 Jul 2014 22:11
Last Modified:03 Oct 2019 06:46

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