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Summary of Research (1994-2010)

By Florian A. Potra

Abstract

The results of the research over the past 17 years are contained in 81 papers published in professional journals, and in 20 papers published in refereed proceedings. In what follows we summarize some of the main results. Modeling atmospheric chemistry and air pollution My interest in this area started at the “Center for Global and Regional Environmental Research” (CGRER) of the University of Iowa. There I worked in an interdisciplinary team together with Gregory Carmichael from the Chemical Engineering Department and several Ph.D. students in chemical engineering, computer science, and applied mathematics. The goal of that group was to develop a “Third Generation Model ” for atmospheric chemistry. The requirements for such a model had been formulated by a panel of scientists (including Gregory Carmichael and myself) assembled by EPA [54]. It involved setting up a parabolic system consisting of about 300 nonlinear PDEs and finding efficient numerical methods for solving it. This is a 3-D reactive transport problem with about 100 chemical species and 200 chemical reactions. Since transport and chemical reactions operate at different time scales, an operator split technique is applied with different integration methods for transport and chemistry. In fact chemistry is solved by integrating at each point of the space grid a (very stiff) initial value ODE problem for a period of time equal to the time step of the transport integrator. Since up to 90 % of computer time in atmospheric chemistry simulations is used in integrating chemistry, our group initially focussed its efforts on improving the chemistry integrators. This research effort lead to the reduction of the chemistry integration time by an order of magnitude and contributed to a better theoretical understanding of the behavior of numerical integrators for chemical rate equations

Year: 2011
OAI identifier: oai:CiteSeerX.psu:10.1.1.188.3598
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