On application of nonlinear reaction-diffusion-advection models to simulation of transport of chemically-active impurities

The authors are developing methods for the determination of the emissions from urban sources of key impurities basing on surface and high-detailed satellite measurements. For the applications in these researches we develop a simplified parameterized model of chemical transformations in the atmosphere. This work is devoted to estimation of the effective lifetimes and the decay rates of nitrogen oxides (NOx) entering the atmosphere as a result of emissions of industrial enterprises basing on chemical-transport simulation. The estimation of effective decay rates, which allows to relatively simply parameterize chemical processes occurring in a plume, is necessary for further use in transport models based on systems of the diffusion-reaction-advection equations and describing the behavior of the plume. The effective decay rates are calculated as the inverse of the times over which the concentrations of the corresponding nitrogen oxides decrease by e times compared to their maximum values. The dependence of their concentrations on time is found by solving a system of kinetic equations describing the reactions occurring in the plume. For the numerical solution of the Cauchy problem, a finite-difference scheme is used that takes into account the structure of the kinetic equations and has the second order of the approximation error.

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