Pore-scale simulation of permeability evolution induced by mineral precipitation during reactive transport
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Abstract
In order to examine the heterogeneous nucleation and growth dynamics of mineral precipitation in reactive transport systems, as well as the evolution of key upscaling parameters, such as porosity and permeability, this study employs a model that integrates pore-scale reactive transport with arbitrary Lagrangian-Eulerian method. This model incorporates a heterogeneous probabilistic nucleation process based on classical nucleation theory, which is used to parametrically simulate the nucleation and growth processes of individual mineral particles within the reactive transport. The findings indicate that fluid velocity, along with nucleation and mineral growth rates, plays critical roles in determining the pattern and spatial distribution of precipitates. Nucleation promotes irregularities in the precipitate pattern and reduces the influence of flow on the spatial distribution of precipitate formation across particle surfaces. Precipitation on the surface of a single mineral particle within a pore channel is more accurately governed by a power law model, which captures the evolutionary relationship between porosity and permeability in porous media with periodic structures.
Document Type: Original article
Cited as: Li, H., Wang, F., Wu, T., Yuan, Y., Zhu, H., Liu, J. Pore-scale simulation of permeability evolution induced by mineral precipitation during reactive transport. Advances in Geo-Energy Research, 2025, 18(2): 109-120. https://doi.org/10.46690/ager.2025.11.02
Keywords
References
Bourbatache, K., Millet, O., Aït-Mokhtar, A., et al. Modeling the chlorides transport in cementitious materials by periodic homogenization. Transport in Porous Media, 2012, 94(1): 437-459.
Bourbatache, K., Millet, O., Moyne, C. Upscaling coupled heterogeneous diffusion reaction equations in porous media. Acta Mechanica, 2023, 234(6): 2293-2314.
Cai, J., Jiao, X., Wang, H., et al. Multiphase fluid-rock interactions and flow behaviors in shale nanopores: A com prehensive review. Earth-Science Reviews, 2024, 257: 104884.
Cohen, C. E., Ding, D., Quintard, M., et al. From pore scale to wellbore scale: Impact of geometry on wormhole growth in carbonate acidization. Chemical Engineering Science, 2008, 63(12): 3088-3099.
De Yoreo, J. J., Gilbert, P. U. P. A., Sommerdijk, N. A. J. M., et al. Crystallization by particle attachment in synthetic, biogenic, and geologic environments. Science, 2015, 349(6247): aaa6760.
Dutka, F., Starchenko, V., Osselin, F., et al. Time-dependent shapes of a dissolving mineral grain: Comparisons of simulations with microfluidic experiments. Chemical Geology, 2020, 540: 119459.
Fazeli, H., Masoudi, M., Patel, R. A., et al. Pore-scale modeling of nucleation and growth in porous media. ACS Earth and Space Chemistry, 2020, 4(2): 249-260.
Fernandez-Martinez, A., Hu, Y., Lee, B., et al. In situ determination of interfacial energies between heterogeneously nucleated CaCO3 and quartz substrates: Thermodynam ics of CO2 mineral trapping. Environmental Science & Technology, 2013, 47(1): 102-109.
Gärttner, S., Frolkovič, P., Knabner, P., et al. Efficiency and accuracy of micro-macro models for mineral dissolution. Water Resources Research, 2020, 56(8): e2020WR027585.
Hommel, J., Coltman, E., Class, H. Porosity-permeability relations for evolving pore space: A review with a focus on (bio-)geochemically altered porous media. Transport in Porous Media, 2018, 124(2): 589-629.
Langer, J. S. Instabilities and pattern formation in crystal growth. Reviews of Modern Physics, 1980, 52(1): 1-28.
Li, H., Hu, Q., Zhu, R., et al. Reactive transport modeling of water-CO2-rock interactions in clay-coated sandstones and implications for CO2 storage. Advances in Geo-Energy Research, 2025, 17(2): 121-134.
Li, H., Wang, F., Wang, Y., et al. Phase-field modeling of coupled reactive transport and pore structure evolution due to mineral dissolution in porous media. Journal of Hydrology, 2023, 619: 129363.
Li, L., Zhang, D., Su, Y., et al. Microfluidic insights into CO2 sequestration and enhanced oil recovery in laminated shale reservoirs: Post-fracturing interface dynamics and micro-scale mechanisms. Advances in Geo-Energy Research, 2024a, 13(3): 203-217.
Li, Q., Fernandez-Martinez, A., Lee, B., et al. Interfacial energies for heterogeneous nucleation of calcium carbonate on mica and quartz. Environmental Science & Technology, 2014, 48(10): 5745-5753.
Li, Q., Steefel, C. I., Jun, Y. Incorporating nanoscale effects into a continuum-scale reactive transport model for CO2-deteriorated cement. Environmental Science & Technology, 2017, 51(18): 10861-10871.
Li, X., Huang, H., Meakin, P. A three-dimensional level set simulation of coupled reactive transport and precipitation/dissolution. International Journal of Heat and Mass Transfer, 2010, 53(13): 2908-2923.
Li, Y., Xu, T., Xin, X., et al. Multi-scale comprehensive study of the dynamic evolution of permeability during hydrate dissociation in clayey silt hydrate-bearing sediments. Advances in Geo-Energy Research, 2024b, 12(2): 127-140.
Liu, J., Xie, X., Meng, Q., et al. Effects of membrane structure on oil-water separation by smoothed particle hydrodynamics. Membranes, 2022, 12(4): 387.
Loomer, D. B., MacQuarrie, K. T. B., Al, T. A. Reactive transport modeling of natural gas molecular and isotopic evolution during diffusive transport in the subsurface. Water Resources Research, 2021, 57(12): e2021WR030702.
Mullins, W. W., Sekerka, R. F. Stability of a planar interface during solidification of a dilute binary alloy. Journal of Applied Physics, 1964, 35(2): 444-451.
Nilsson, Ö., Sternbeck, J. A mechanistic model for calcite crystal growth using surface speciation. Geochimica Et Cosmochimica Acta, 1999, 63(2): 217-225.
Noiriel, C., Soulaine, C. Pore-scale imaging and modelling of reactive flow in evolving porous media: Tracking the dynamics of the fluid-rock interface. Transport in Porous Media, 2021, 140(1): 181-213.
Plummer, L. N., Busenberg, E. The solubilities of calcite, aragonite and vaterite in CO2-H2O solutions between 0 and 90 ◦C, and an evaluation of the aqueous model for the system CaCO3-CO2-H2O. Geochimica Et Cosmochimica Acta, 1982, 46(6): 1011-1040.
Prasianakis, N. I., Curti, E., Kosakowski, G., et al. Deciphering pore-level precipitation mechanisms. Scientific Reports, 2017, 7(1): 13765.
Ray, N., van Noorden, T., Frank, F., et al. Multiscale modeling of colloid and fluid dynamics in porous media including an evolving microstructure. Transport in Porous Media, 2012, 95(3): 669-696.
Soulaine, C., Roman, S., Kovscek, A., et al. Mineral dissolution and wormholing from a pore-scale perspective. Journal of Fluid Mechanics, 2017, 827: 457-483.
Starchenko, V. Pore-scale modeling of mineral growth and nucleation in reactive flow. Frontiers in Water, 2022, 3: 800944.
Starchenko, V., Marra, C. J., Ladd, A. J. C. Three-dimensional simulations of fracture dissolution. Journal of Geophysical Research: Solid Earth, 2016, 121(9): 6421-6444.
Steefel, C. I., Molins, S., Trebotich, D. Pore scale processes associated with subsurface CO2 injection and sequestra tion. Reviews in Mineralogy and Geochemistry, 2013, 77(1): 259-303.
Szymczak, P., Ladd, A. J. C. Reactive-infiltration instabilities in rocks. Fracture dissolution. Journal of Fluid Mechanics, 2012, 702: 239-264.
Tian, H., Xu, T., Zhu, H., et al. Heterogeneity in mineral composition and its impact on the sealing capacity of caprock for a CO2 geological storage site. Computers & Geosciences, 2019, 125: 30-42.
Tian, Z., Wang, J. Lattice boltzmann simulation of dissolution-induced changes in permeability and porosity in 3d CO2 reactive transport. Journal of Hydrology, 2018, 557: 276-290.
Wang, H., Cai, J., Su, Y., et al. Pore-scale study on shale oil CO2-water miscibility, competitive adsorption, and mul tiphase flow behaviors. Langmuir, 2023, 39(34): 12226-12234.
Yang, B., Xu, T., Du, Y., et al. Numerical investigation on the influence of CO2-induced mineral dissolution on hydrogeological and mechanical properties of sandstone using coupled lattice boltzmann and finite element model. Journal of Hydrology, 2024a, 639: 131616.
Yang, F., Guan, D., Starchenko, V., et al. Effect of nucleation heterogeneity on mineral precipitation in confined environments. Geophysical Research Letters, 2024b, 51(9): e2023GL107185.
Yang, F., Stack, A. G., Starchenko, V. Micro-continuum ap proach for mineral precipitation. Scientific Reports, 2021, 11(1): 3495.
DOI: https://doi.org/10.46690/https://doi.org/10.46690/ager.2025.11.02
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