Advanced numerical modeling of flow and reactive transport in porous systems

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Numerical methods for the coupled simulation of flow, multi-component transport, chemical reactions as well as microbiological degradation and fractionation processes in porous media will be developed, implemented and applied to the high quality experimental data generated within the Research Group. A mixed finite element formulation is to be implemented, using object and process-oriented concepts, which allows the high resolution modeling needed for the heterogeneous and transient flow conditions used in the tank experiments. Additionally, the specific features of the biological reactions as observed in the tank experiments as well as isotope fractionation processes will be implemented. The reactive tank experiments conducted provide excellent application test cases for the verification of the new code. Detailed scenario modeling studies will be used to investigate the effects of spatial structures of hydraulic heterogeneity on transverse dispersion, to test different formulations of the biodegradation reactions, and to identify the limiting processes governing the tank experiments. Coupled to the evaluation of measured and simulated isotopic ratios, this will allow for a high quality evaluation of the biologic kinetic reactions and to quantify the uncertainty related to the kinetic parameters. It is expected that this project will lead to an improved quantitative understanding of mixing controlled degradation processes in natural porous media.