TOUGHREACT is a numerical simulation program for chemically reactive non-isothermal flows of multiphase fluids in porous and fractured media, developed by introducing reactive chemistry into the multiphase flow code TOUGH2. Interactions between mineral assemblages and fluids can occur under local equilibrium or kinetic rates. The gas phase can be chemically active. Precipitation and dissolution reactions can change formation porosity and permeability, and can also modify the unsaturated flow properties of the rock.

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  1. Knodel, Markus M.; Kräutle, Serge; Knabner, Peter: Global implicit solver for multiphase multicomponent flow in porous media with multiple gas components and general reactions. Global implicit solver for multiple gas components (2022)
  2. Kyas, Svetlana; Volpatto, Diego; Saar, Martin O.; Leal, Allan M. M.: Accelerated reactive transport simulations in heterogeneous porous media using Reaktoro and Firedrake (2022)
  3. Müller, Juliane; Park, Jangho; Sahu, Reetik; Varadharajan, Charuleka; Arora, Bhavna; Faybishenko, Boris; Agarwal, Deborah: Surrogate optimization of deep neural networks for groundwater predictions (2021)
  4. Poonoosamy, J.; Wanner, C.; Alt Epping, P.; Águila, J. F.; Samper, J.; Montenegro, L.; Xie, M.; Su, D.; Mayer, K. U.; Mäder, U.; van Loon, L. R.; Kosakowski, G.: Benchmarking of reactive transport codes for 2D simulations with mineral dissolution-precipitation reactions and feedback on transport parameters (2021)
  5. Scheurer, Stefania; Schäfer Rodrigues Silva, Aline; Mohammadi, Farid; Hommel, Johannes; Oladyshkin, Sergey; Flemisch, Bernd; Nowak, Wolfgang: Surrogate-based Bayesian comparison of computationally expensive models: application to microbially induced calcite precipitation (2021)
  6. 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)
  7. Damiani, Leonardo Hax; Kosakowski, Georg; Glaus, Martin A.; Churakov, Sergey V.: A framework for reactive transport modeling using FEniCS-Reaktoro: governing equations and benchmarking results (2020)
  8. Guérillot, Dominique; Bruyelle, Jérémie: Geochemical equilibrium determination using an artificial neural network in compositional reservoir flow simulation (2020)
  9. la Cecilia, Daniele; Maggi, Federico: Influential sources of uncertainty in glyphosate biochemical degradation in soil (2020)
  10. Liang, Dong; Zhou, Zhongguo: The conservative splitting domain decomposition method for multicomponent contamination flows in porous media (2020)
  11. Brunner, Fabian; Knabner, Peter: A global implicit solver for miscible reactive multiphase multicomponent flow in porous media (2019)
  12. Kim, Jihoon: Unconditionally stable sequential schemes for all-way coupled thermoporomechanics: undrained-adiabatic and extended fixed-stress splits (2018)
  13. Guérillot, Dominique; Bruyelle, Jérémie: Compositional dual mesh method for single phase flow in heterogeneous porous media -- application to CO(_2) storage (2017)
  14. Bringedal, C.; Berre, I.; Pop, I. S.; Radu, F. A.: Upscaling of nonisothermal reactive porous media flow under dominant Péclet number: the effect of changing porosity (2016)
  15. Ahusborde, Etienne; Kern, Michel; Vostrikov, Viatcheslav: Numerical simulation of two-phase multicomponent flow with reactive transport in porous media: application to geological sequestration of CO(_2) (2015)
  16. 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)
  17. Zheng, Liange; Samper, Javier: Dual-continuum multicomponent reactive transport with (n)th-order solute transfer terms for structured porous media (2015)
  18. Schmid, K. S.; Geiger, S.; Sorbie, K. S.: Higher order FE-FV method on unstructured grids for transport and two-phase flow with variable viscosity in heterogeneous porous media (2013)
  19. Kim, Jihoon; Sonnenthal, Eric L.; Rutqvist, Jonny: Formulation and sequential numerical algorithms of coupled fluid/heat flow and geomechanics for multiple porosity materials (2012)
  20. Schmid, Karen Sophie; Geiger, Sebastian; Sorbie, Kenneth Stuart: Analytical solutions for co- and counter-current imbibition of sorbing, dispersive solutes in immiscible two-phase flow (2012)

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