Module-oriented modeling of reactive transport with HYTEC. The paper introduces HYTEC, a coupled reactive transport code currently used for groundwater pollution studies, safety assessment of nuclear waste disposals, geochemical studies and interpretation of laboratory column experiments. Based on a known permeability field, HYTEC evaluates the groundwater flow paths, and simulates the migration of mobile matter (ions, organics, colloids) subject to geochemical reactions. The code forms part of a module-oriented structure which facilitates maintenance and improves coding flexibility. In particular, using the geochemical module CHESS as a common denominator for several reactive transport models significantly facilitates the development of new geochemical features which become automatically available to all models. A first example shows how the model can be used to assess migration of uranium from a sub-surface source under the effect of an oxidation front. The model also accounts for alteration of hydrodynamic parameters (local porosity, permeability) due to precipitation and dissolution of mineral phases, which potentially modifies the migration properties in general. The second example illustrates this feature.

References in zbMATH (referenced in 15 articles , 1 standard article )

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  1. Kyas, Svetlana; Volpatto, Diego; Saar, Martin O.; Leal, Allan M. M.: Accelerated reactive transport simulations in heterogeneous porous media using Reaktoro and Firedrake (2022)
  2. Al Nazer, Safaa; Jazar, Mustapha; Rosier, Carole: Convergence acceleration of iterative sequences for equilibrium chemistry computations (2021)
  3. Socié, Adrien; Dubois, Frédéric; Monerie, Yann; Perales, Frédéric: Multibody approach for reactive transport modeling in discontinuous-heterogeneous porous media (2021)
  4. Su, Danyang; Mayer, K. Ulrich; MacQuarrie, Kerry T. B.: MIN3P-HPC: a high-performance unstructured grid code for subsurface flow and reactive transport simulation (2021)
  5. Ahusborde, E.; El Ossmani, M.; Id Moulay, M.: A fully implicit finite volume scheme for single phase flow with reactive transport in porous media (2019)
  6. Erhel, Jocelyne; Sabit, Souhila: Analysis of a global reactive transport model and results for the MoMaS benchmark (2017)
  7. Sin, Irina; Lagneau, Vincent; De Windt, Laurent; Corvisier, Jérôme: 2D simulation of natural gas reservoir by two-phase multicomponent reactive flow and transport -- description of a benchmarking exercise (2017)
  8. Steefel, C. I.; Appelo, C. A. J.; Arora, B.; Jacques, D.; Kalbacher, T.; Kolditz, O.; Lagneau, V.; Lichtner, P. C.; Mayer, K. U.; Meeussen, J. C. L.; Molins, S.; Moulton, D.; Shao, H.; Šimůnek, J.; Spycher, N.; Yabusaki, S. B.; Yeh, G. T.: Reactive transport codes for subsurface environmental simulation (2015)
  9. Kulik, Dmitrii A.; Wagner, Thomas; Dmytrieva, Svitlana V.; Kosakowski, Georg; Hingerl, Ferdinand F.; Chudnenko, Konstantin V.; Berner, Urs R.: GEM-selektor geochemical modeling package: revised algorithm and GEMS3K numerical kernel for coupled simulation codes (2013)
  10. Amir, Laila; Kern, Michel: A global method for coupling transport with chemistry in heterogeneous porous media (2010)
  11. Carrayrou, Jérôme: Looking for some reference solutions for the reactive transport benchmark of MoMaS with SPECY (2010)
  12. Carrayrou, Jérôme; Hoffmann, Joachim; Knabner, Peter; Kräutle, Serge; De Dieuleveult, Caroline; Erhel, Jocelyne; Van Der Lee, Jan; Lagneau, V.; Mayer, K. Ulrich; Macquarrie, Kerry T. B.: Comparison of numerical methods for simulating strongly nonlinear and heterogeneous reactive transport problems --- the MoMaS benchmark case (2010)
  13. De Dieuleveult, Caroline; Erhel, Jocelyne: A global approach to reactive transport: application to the momas benchmark (2010)
  14. Lagneau, Vincent; Van Der Lee, Jan: HYTEC results of the MoMaS reactive transport benchmark (2010)
  15. Mayer, K. Ulrich; Macquarrie, Kerry T. B.: Solution of the MoMaS reactive transport benchmark with MIN3P --- model formulation and simulation results (2010)