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Updated chemical mechanism for atmospheric photooxidation of toluene
Author(s) -
Leone Joseph A.,
Seinfeld John H.
Publication year - 1984
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.550160207
Subject(s) - toluene , benzaldehyde , chemistry , photochemistry , photodissociation , reaction mechanism , aerosol , box model , environmental chemistry , meteorology , organic chemistry , catalysis , physics
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.