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8 May 2009 Modeling the atmospheric chemistry of TICs
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An atmospheric chemistry model that describes the behavior and disposition of environmentally hazardous compounds discharged into the atmosphere was coupled with the transport and diffusion model, SCIPUFF. The atmospheric chemistry model was developed by reducing a detailed atmospheric chemistry mechanism to a simple empirical effective degradation rate term (keff) that is a function of important meteorological parameters such as solar flux, temperature, and cloud cover. Empirically derived keff functions that describe the degradation of target toxic industrial chemicals (TICs) were derived by statistically analyzing data generated from the detailed chemistry mechanism run over a wide range of (typical) atmospheric conditions. To assess and identify areas to improve the developed atmospheric chemistry model, sensitivity and uncertainty analyses were performed to (1) quantify the sensitivity of the model output (TIC concentrations) with respect to changes in the input parameters and (2) improve, where necessary, the quality of the input data based on sensitivity results. The model predictions were evaluated against experimental data. Chamber data were used to remove the complexities of dispersion in the atmosphere.
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Michael V. Henley, Douglas S. Burns, Veeradej Chynwat, William Moore, Angela Plitz, Shawn Rottmann, and John Hearn "Modeling the atmospheric chemistry of TICs", Proc. SPIE 7304, Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing X, 73040H (8 May 2009);

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