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Talk Abstract
On the Linking of Aerosol and Gas-Phase Chemistry Modules for the Prediction of Ammonium Nitrate Particle Formation

William R. Stockwell
Energy and Environmental Engineering Center
Desert Research Institute
2215 Raggio Parkway
Reno, NV 89512-1095

The coupling of gas and aerosol chemistry in air quality models and the relationship between the emissions of nitrogen oxides and organic compounds, gas-phase chemistry and the formation of aerosol particles will be discussed. A photochemical box model with gas-phase photochemistry, aerosol production and deposition was developed and applied to estimate the ammonium nitrate particle equivalent of NOx emissions. Yields of ammonium nitrate particles produced from gas-phase chemistry were estimated from parametric simulations made with an equilibrium aerosol model. For winter time in central California approximately 80% of the moles of nitric acid produced in the gas-phase was estimated to react with ammonia to yield particulate nitrate. The total fraction of NOx emissions converted to particulate nitrate was estimated to be 33% on a molar basis. This result is in reasonable agreement with field measurements made in central California.

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1999-2000 Reactive Flow and Transport Phenomena