THE MECHANISMS OF ATMOSPHERIC OXIDATION OF THE OXYGENATES

Project No. A-68

Leaders:   J. C. Ball
                  R. S. MacArthur

Scope and Objective

The objective of this project is to prepare a comprehensive inventory of fundamental data and information on the atmospheric reactions of oxygenates in a format suitable for publication as a reference textbook.

Current Status and Future Program

In recent years a major interest has developed in alternative fuels such as ethanol, butanol, fatty acid methyl esters, and other biofuels that are largely oxygenates. The effects of these fuels and their oxidation products on the atmospheric chemistry of the urban, rural, and “free” atmospheres are of increasing interest.  The development of the three previous books supported by CRC dealt with the atmospheric chemistry of the three major classes of hydrocarbons: the alkenes, the aromatic hydrocarbons, and the alkanes, including the haloalkanes.  In each of these books, some of the oxidation products of these hydrocarbons were discussed, but the accent in each book was on the hydrocarbons themselves. This textbook is related directly to the atmospheric chemistry of the many oxygenates.  

Discussions of the alcohols, aldehydes, and ketones from the three previous books will be drawn on, updated, and included in the proposed “Oxygenates” book, but the new book will also include discussion related to ethers and other classes of oxygenates as well, e.g.; the esters which are major components of biodiesel fuels.  The development of a realistic outline of a book on Oxygenates requires discussion and planning by the authors.  This project is underway and the following chapter topics were considered for this book:

1. The Oxygenates: Their Properties, Sources, and Uses as Alternative Fuels
2. The Rate Coefficients and Mechanisms for the Atmospheric Oxidation of the Alcohols (Sections on acyclic, cyclic, aromatic alcohols and haloalcohols)
3. The Rate Coefficients and Mechanisms for the Atmospheric Oxidation of the Ethers (Sections on acyclic, cyclic, aromatic ethers and haloethers)
4. The Rate Coefficients and Mechanisms for the Atmospheric Oxidation of Aldehydes (Sections on acyclic, cyclic, aromatic aldehydes and haloaldehydes)

THE MECHANISMS OF ATMOSPHERIC OXIDATION OF THE OXYGENATES (continued)

1. The Rate Coefficients and Mechanisms for the Atmospheric Oxidation of the Ketones (Sections on acyclic, cyclic, aromatic, hydoxy  ketones, and haloketones)

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