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.
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| 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 | |||||||||
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| 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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