Evaluation of Kinetic and Mechanistic Data for Modeling of Photochemical Smog

Abstract

This review is a critical evaluation of the rate constants, mechanisms, and products of selected atmospheric reactions of hydrocarbons, nitrogen oxides, and sulfur oxides in air. The evaluation considers eight hydrocarbons (n butane, 2,3 dimethylbutane, ethene, propene, 1 butene, trans 2 butene, toluene, and m xylene) for which smog chamber irradiations have been carried out under carefully controlled conditions and which have been the subject of computer modeling studies by more than one research group. The reactions involved are treated in the following categories: inorganic reactions in organic NOx air irradiations; organic reactions of the formaldehyde NOx air system; organic reactions of the acetaldehyde NOx air system; organic reactions of the alkene NOx air systems; organic reactions of the alkane NOx air systems; organic reactions of selected carbonyl NOx air systems; organic reactions of the aromatic NOx air systems; combination reactions of peroxy radicals, and homogeneous gas phase SO2 reactions. This report considers literature through early 1983. © 1984, American Institute of Physics for the National Institute of Standards and Technology. All rights reserved.