Development and validation of a generalized mechanism for photochemical smog
- Creators
- Hecht, Thomas A.
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Seinfeld, John H.
Abstract
A detailed 81-step mechanism for the photooxidation kinetics of the propylene-NOₓ-air system, based on consideration of the possible important reactions which might be occurring, is presented. From the detailed mechanism is deduced a general 15-step mechanism for photochemical smog formation. The flexibility of this mechanism lies in adjustable rate constants and stoichiometric coefficients, which are chosen according to the particular hydrocarbon and initial reactant ratios. The general mechanism is validated with smog chamber data on propylene, isobutylene, n-butane, and a mixture of propylene and n-butane. The general mechanism is also shown to simulate accurately the effect of CO on smog chamber photooxidation kinetics as well as the inhibitory effect of high initial concentrations of nitric oxide on the maximum concentration of ozone attained.
Additional Information
© 1972 American Chemical Society. The authors are indebted to the Gulf Research Co. and to W. E. Wilson for the smog chamber results presented. We also extend appreciation to C. W. Gear who supplied us with a copy of his program for numerical integration of ordinary differential equations. This research was supported in part by a grant from the John A. McCarthy Foundation.Additional details
- Eprint ID
- 120829
- Resolver ID
- CaltechAUTHORS:20230413-139796000.42
- John A. McCarthy Foundation
- Created
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2023-04-17Created from EPrint's datestamp field
- Updated
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2023-04-17Created from EPrint's last_modified field