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Analysis of the Characteristics of Complex Chemical Reaction Mechanisms: Application to Photochemical Smog Chemistry

Leone, Joseph A. and Seinfeld, John H. (1984) Analysis of the Characteristics of Complex Chemical Reaction Mechanisms: Application to Photochemical Smog Chemistry. Environmental Science and Technology, 18 (4). pp. 280-287. ISSN 0013-936X. doi:10.1021/es00122a014.

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To elucidate the features of complex chemical reaction mechanisms, we develop an analysis based on the use of so-called "counter species", fictitious products added to the reactions in the mechanism that allow one to determine the relative contributions of individual reactions to the overall behavior of the mechanism. The method is developed by considering a mechanism for the atmospheric photooxidation of the three simplest aldehydes and is then applied, in a full-scale simulation, to analyze the behavior of a complex chemical reaction mechanism for photochemical smog. The method is shown capable of providing answers to previously inaccessible questions such as the relative contributions of individual hydrocarbons to photochemical ozone formation. Application of the counter species concept to analyze complex environmental reaction mechanisms is straightforward and can be readily implemented in the standard routines in widespread use for solving seta of chemical reaction rate equations.

Item Type:Article
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Seinfeld, John H.0000-0003-1344-4068
Additional Information:© 1984 American Chemical Society. Received for review May 2, 1983. Accepted October 3, 1983. This work was supported by the State of California Air Resources Board Agreement A2-042-32.
Funding AgencyGrant Number
California Air Resources BoardA2-042-32
Issue or Number:4
Record Number:CaltechAUTHORS:20140923-081142954
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Official Citation:Analysis of the characteristics of complex chemical reaction mechanisms. Application to photochemical smog chemistry Joseph A. Leone and John H. Seinfeld Environmental Science & Technology 1984 18 (4), 280-287
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:49920
Deposited By: Ruth Sustaita
Deposited On:23 Sep 2014 17:44
Last Modified:10 Nov 2021 18:49

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