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The reactive transport benchmark

The reactive transport benchmark . J. Carrayrou Institut de Mécanique des Fluides et des Solides, Laboratoire d’Hydrologie et de Géochimie de Strasbourg, Université de Strasbourg - CNRS, UMR 7517. Amir L, Kern M. INRIA Rockencourt Hoffmann J., Knabner P., Kräutle S.

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The reactive transport benchmark

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  1. The reactive transport benchmark J. Carrayrou Institut de Mécanique des Fluides et des Solides, Laboratoire d’Hydrologie et de Géochimie de Strasbourg, Université de Strasbourg - CNRS, UMR 7517

  2. Amir L, Kern M. INRIA Rockencourt Hoffmann J., Knabner P., Kräutle S. University of Erlangen-Nuremberg, Department of Mathematics, Erlangen, Germany de Dieuleveult C., Erhel J. INRIA Rennes; ANDRA Van der Lee J., Lagneau V. Ecole des Mines de Paris Mayer K.U. University of British Columbia, Dept. of Earth and Ocean Sciences, Vancouver, BC, Canada MacQuarrie K.T.B University of New Brunswick, Dept. of Civil Engineering, Fredericton, NB, Canada Participants

  3. Introduction: objectives of the benchmark The 1D easy level Some results Outline

  4. Some questions… (about the resolution)

  5. Operator Splitting: Iterative – Non iterative OS scheme OS errors Global Approach: Scheme : DSA / DAE Resolution of non linear system CPU time / Memory Operator Splitting / Global Approach

  6. Objectives Stability Numerical diffusion Efficiency Finite Elements / Volumes Particle Tracking ELLAM methods… Space discretisation

  7. Explicit / Implicit Higher order Adaptive time step Heuristic Predictor-corrector Time discretisation

  8. Iterative method for chemistry Iterative method for transport (SIA) Iterative method for global approach What about very small concentration From transport C = 10-300… Numerical problem if C = 0 About convergence…

  9. The 1D easy-level benchmark Medium-level Hard-level 2D

  10. Reactive transport modelling Advection – Diffusion – Reaction equation U pore velocity D dispersion tensor (non diagonal) ω porosity TM total mobile concentration TFtotal fixed concentration

  11. Equilibrium chemistry Mobile Species Non mobile Species Reactions Mass action laws Conservation laws

  12. The 1D reactive domain High permeability Low porosity Low reactivity Low permeability High porosity High reactivity

  13. Chemicalreactions injected injected

  14. Some results

  15. Main features of the compared codes

  16. CPU time for advective case

  17. Very close results

  18. Localized differences

  19. CPU time dispersive case

  20. Dispersive case is more disciminative

  21. Conclusion

  22. Reduction scheme (Hoffmann et al.) Reduces the set of coupled variables Reduces the computing time Available for all the approaches Method of lines (de Dieuleveult and Erhel) High precision using coarse meshes CPU time long Newton-Krylov (Amir and Kern) Some problems Some very promising results New methods

  23. More preparation on the intercomparison criteria Definition of the key – point of the solution Giving a reference solution Maybe a more realistic problem ? Difficulties

  24. Development using many codes Some points are clearly visible using SNIA or SIA approach but not for global one Cooperation between many teams Having many codes Is it realistic ? Keeping a well defined problem For a next benchmark

  25. Carrayrou J., M. Kern, P. Knabner (2009). Reactive transport benchmark of MoMaS, Comp. Geosci., on line first. Carrayrou, J. (2009). Looking for some reference solutions for the Reactive Transport Benchmark of MoMaS with SPECY, Comp. Geosci., on line first. de Dieuleveult, C., Erhel, J. (2009) A global approach for reactive transport: application to the benchmark easy test case of MoMaS, Comp. Geosci., on line first. Hoffmann J., Kräutle S., Knabner P. (2009) A Parallel Global-Implicit 2-D Solver for Reactive Transport Problems in Porous Media based on a Reduction Scheme and its Application to the MoMaS Benchmark Problem. Comp. Geosci., under revision. Lagneau, V. van der Lee, J. (2009) HYTEC results of the MoMas reactive transport benchmark, Comput. Geosci., on line first. Mayer, K.U., and K.T.B. MacQuarrie (2009). Formulation of the multicomponent reactive transport code MIN3P and implementation of MoMaS benchmark problems, Comp. Geosci, on line first. Carrayrou J., Hoffmann J., Knabner P., Kräutle S., de Dieuleveult C., Erhel J., Van der Lee J., Lagneau V., Mayer K.U., MacQuarrie K.T.B(2009). A synthesis of the MoMaS reactive transport results, Comp. Geosci, under revision. Articles

  26. Eurotherm, 2008 Albi International Workshop on reactive transport, 2008 Strasbourg SIAM, 2009 Leipzig Conférences

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