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MATHEMATICAL MODELING OF SIMULATED PHOTOCHEMICAL SMOG
Citation:
Whitten, G. AND H. Hogo. MATHEMATICAL MODELING OF SIMULATED PHOTOCHEMICAL SMOG. U.S. Environmental Protection Agency, Washington, D.C., EPA/600/3-77/011.
Description:
This report deals with the continuing effort to develop a chemical kinetic mechanism to describe the formation of photochemical smog. Using the technique of computer modeling to simulate smog chamber data, several explicit kinetic mechanisms for specific hydrocarbons were analyzed and a generalized kinetic mechanism was proposed for use in dynamic urban airshed models. Computer simulations of propylene/NOx, butane/NOx, 1-butene/NOx, and propylene/butane/NOx systems were performed to simulate the smog chamber data collected by the University of California, Riverside. The general kinetic mechanism, which is based on the carbon bonding found in the hydrocarbon system, is described. Simulations using this new carbon-bond mechanism were also compared with the smog chamber data on the propylene/NOx, butane/NOx, propylene/butane/NOx, and toluene/NOx systems. The usefulness and validity of the computer modeling is also discussed relative to the current understanding of the smog formation process. (Portions of this document are not fully legible.)