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CHEMICAL TRANSFORMATION MODULES FOR EULERIAN ACID DEPOSITION MODELS. VOLUME 1. THE GAS-PHASE CHEMISTRY
Citation:
Kerr, J. AND J. Calvert. CHEMICAL TRANSFORMATION MODULES FOR EULERIAN ACID DEPOSITION MODELS. VOLUME 1. THE GAS-PHASE CHEMISTRY. U.S. Environmental Protection Agency, Washington, D.C., EPA/600/3-85/015.
Description:
This study focuses on the review and evaluation of mechanistic and kinetic data for the gas-phase reactions that lead to the production of acidic substances in the environment. A master mechanism is designed that treats oxides, sulfur dioxide, ozone, hydrogen peroxide, ammonia, the simple amines (methyl, dimethyl, trimethyl, and ethyl amines), chlorine, hydrogen sulfide, dimethyl sulfide, the hydrocarbons (methane, ethane, propane, butane, 2,3-dimethylbutane, the C5-C8 alkanes, ethylene, propylene, trans-2-butene, isobutene, benzene, toluene, m-xylene, isoprene, alpha-pinene), and the variety of oxidation products of these species including the transient free radicals, aldehydes, ketones, hydroperoxides and other molecules. The reaction mechanisms and the rate constants for certain of the chemical transformations are identified for which major uncertainties remain and for which additional experimental and theoretical work is recommended.