Conservative correction of the sequential noniterative scheme for reactive transport problems with minerals precipitation–dissolution and variable media properties

References

[1] G. Archie, The electrical resistivity log as an aid in determining some reservoir characteristics. Trans. AIME 146 (1942), 54–62.10.2118/942054-GSearch in Google Scholar

[2] S. R. Charlton and D. L. Parkhurst, Modules based on the geochemical model PHREEQC for use in scripting and programming languages. Computers & Geosciences 37 (2011), No. 10, 1653–1663.10.1016/j.cageo.2011.02.005Search in Google Scholar

[3] P. C. Carman, Fluid through granular beds. Trans. Inst. Chem. Eng. 15 (1937), 150–166.Search in Google Scholar

[4] J. Carrayrou, R. Mosé, and P. Behra, Operator-splitting procedures for reactive transport and comparison of mass balance errors. Journal of Contaminant Hydrology 68 (2004), No. 3-4, 239–268.10.1016/S0169-7722(03)00141-4Search in Google Scholar PubMed

[5] M. E. Hubbard, Multidimensional slope limiters for MUSCL-type finite volume schemes on unstructured grids. Journal of Computational Physics 155 (1999), No. 1, 54–74.10.1006/jcph.1999.6329Search in Google Scholar

[6] D. Jacques, J. Šimůnek, D. Mallants, and M. T. Van Genuchten, Operator-splitting errors in coupled reactive transport codes for transient variably saturated flow and contaminant transport in layered soil profiles. Journal of Contaminant Hydrology 88 (2006), No. 3-4, 197–218.10.1016/j.jconhyd.2006.06.008Search in Google Scholar PubMed

[7] I. V. Kapyrin, Status and prospects for development of groundwater flow and transport modeling techniques to address the longterm radiation safety issues. Radiochemistry 65 (2023), Suppl. 1, S1–S12.10.1134/S1066362223070019Search in Google Scholar

[8] I. Kapyrin and I. Konshin, Parallel efficiency analysis of reactive transport simulations using the GeRa software. In: Supercomputing. RuSCDays 2024. Lecture Notes in Computer Science, vol. 15406 (Eds. V. Voevodin, A. Antonov, and D. Nikitenko). Springer, Cham, pp. 161–172.10.1007/978-3-031-78459-0_12Search in Google Scholar

[9] D. A. Kulik, T. Wagner, S. V. Dmytrieva, G. Kosakowski, F. F. Hingerl, K. V. Chudnenko, and U. R. Berner, GEM-Selektor geochemical modeling package: revised algorithm and GEMS3K numerical kernel for coupled simulation codes. Computational Geosciences 17 (2013), 1–24.10.1007/s10596-012-9310-6Search in Google Scholar

[10] V. Lagneau and J. van Der Lee, Operator-splitting-based reactive transport models in strong feedback of porosity change: The contribution of analytical solutions for accuracy validation and estimator improvement. Journal of Contaminant Hydrology 112 (2010), No. 1-4, 118–129.10.1016/j.jconhyd.2009.11.005Search in Google Scholar PubMed

[11] G. I. Marchuk, Methods of Numerical Mathematics vol. 2. Springer-Verlag, New York, 1982.10.1007/978-1-4613-8150-1Search in Google Scholar

[12] A. Nardi, A. Idiart, P. Trinchero, L. M. de Vries, and J. Molinero, Interface COMSOL-PHREEQC (iCP), an efficient numerical framework for the solution of coupled multiphysics and geochemistry. Computers & Geosciences 69 (2014), 10–21.10.1016/j.cageo.2014.04.011Search in Google Scholar

[13] D. L. Parkhurst and L. Wissmeier, PhreeqcRM: A reaction module for transport simulators based on the geochemical model PHREEQC. Advances in Water Resources 83 (2015), 176–189.10.1016/j.advwatres.2015.06.001Search in Google Scholar

[14] J. Perko et al., Decalcification of cracked cement structures. Computational Geosciences 19 (2015), 673–693.10.1007/s10596-014-9467-2Search in Google Scholar

[15] J. Poonoosamy et al., Benchmarking of reactive transport codes for 2D simulations with mineral dissolution–precipitation reactions and feedback on transport parameters. Computational Geosciences 25 (2021), 1337–1358.10.1007/s10596-018-9793-xSearch in Google Scholar

[16] R. C. Santore and C. T. Driscoll, The CHESS model for calculating chemical equilibria in soils and solutions. Chemical Equilibrium and Reaction Models 42 (1995), 357–375.10.2136/sssaspecpub42.c17Search in Google Scholar

[17] C. I. Steefel et al., Reactive transport codes for subsurface environmental simulation. Computational Geosciences 19 (2015), 445–478.10.1007/s10596-014-9443-xSearch in Google Scholar

[18] P. Tsoutsanis, V. A. Titarev, and D. Drikakis, WENO schemes on arbitrary mixed-element unstructured meshes in three space dimensions. Journal of Computational Physics 230 (2011), No. 4, 1585–1601.10.1016/j.jcp.2010.11.023Search in Google Scholar

[19] Y. Vassilevski, K. Terekhov, K. Nikitin, and I. Kapyrin, Parallel Finite Volume Computation on General Meshes. New York, Springer International Publishing, 2020.10.1007/978-3-030-47232-0Search in Google Scholar

[20] L. Wissmeier and D. A. Barry, Simulation tool for variably saturated flow with comprehensive geochemical reactions in two-and three-dimensional domains. Environmental Modelling & Software 26 (2011), No. 2, 210–218.10.1016/j.envsoft.2010.07.005Search in Google Scholar

[21] Y. Xiao, F. Whitaker, T. Xu, and C. Steefel, Reactive Transport Modeling. Wiley, 2018.10.1002/9781119060031Search in Google Scholar

[22] M. Xie et al., Implementation and evaluation of permeability-porosity and tortuosity-porosity relationships linked to mineral dissolution-precipitation. Computational Geosciences 19 (2015), 655–671.10.1007/s10596-014-9458-3Search in Google Scholar

[23] PhreeqcRM C++ class. URL: https://water.usgs.gov/water-resources/software/PHREEQC/documentation/phreeqcrm-htmlSearch in Google Scholar