Comparative analysis of chemical reaction mechanisms for photochemical smog

Abstract Six chemical reaction mechanisms for photochemical smog are analyzed to determine why, under identical conditions, they predict different maximum ozone concentrations. Answers to previously inaccessible questions such as the relative contributions of individual organic species to photochemical ozone formation are obtained. Based on the results of the analysis we have identified specific aspects of each mechanism that are responsible for the discrepancies with other mechanisms and with an explicit mechanism based on the latest understanding of atmospheric chemistry. For each mechanism critical areas are identified that when altered bring the predictions of the various mechanisms into much closer agreement. Thus, we identify why the predictions of the mechanisms are different, and have recommended research efforts that are needed to eliminate many of the discrepancies.

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