Reactive Transport in Heterogeneous Porous Media Under Different Péclet Numbers

Nissan, Alon; Berkowitz, Brian

doi:10.1029/2019wr025585

Cited by 9 publications

(6 citation statements)

References 41 publications

(67 reference statements)

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“…It translated into an increase in residence time, favoring a complete dissolution of celestine and precipitation of barite. This line of argumentation is in agreement with the numerical study of Nissan & Berkowitz, who indicated that a low Péclet number (ratio of advective transport time and diffusive transport time) usually increases the amounts of product [54,55].…”

Section: Heterogeneous Distribution Of Barite Across the Reaction Layersupporting

confidence: 91%

Combination of MRI and SEM to Assess Changes in the Chemical Properties and Permeability of Porous Media due to Barite Precipitation

et al. 2020

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The understanding of the dissolution and precipitation of minerals and its impact on the transport of fluids in porous media is essential for various subsurface applications, including shale gas production using hydraulic fracturing (“fracking”), CO2 sequestration, or geothermal energy extraction. In this work, we conducted a flow through column experiment to investigate the effect of barite precipitation following the dissolution of celestine and consequential permeability changes. These processes were assessed by a combination of 3D non-invasive magnetic resonance imaging, scanning electron microscopy, and conventional permeability measurements. The formation of barite overgrowths on the surface of celestine manifested in a reduced transverse relaxation time due to its higher magnetic susceptibility compared to the original celestine. Two empirical nuclear magnetic resonance (NMR) porosity–permeability relations could successfully predict the observed changes in permeability by the change in the transverse relaxation times and porosity. Based on the observation that the advancement of the reaction front follows the square root of time, and micro-continuum reactive transport modelling of the solid/fluid interface, it can be inferred that the mineral overgrowth is porous and allows the diffusion of solutes, thus affecting the mineral reactivity in the system. Our current investigation indicates that the porosity of the newly formed precipitate and consequently its diffusion properties depend on the supersaturation in solution that prevails during precipitation.

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Section: Heterogeneous Distribution Of Barite Across the Reaction Layersupporting

confidence: 91%

Combination of MRI and SEM to Assess Changes in the Chemical Properties and Permeability of Porous Media due to Barite Precipitation

et al. 2020

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“…In fact, experimental and numerical studies have highlighted the saturation dependence of dispersion coefficients (Nützmann et al 2002;Raoof and Hassanizadeh 2013;Leontidis et al 2020), and the occurrence of non-Fickian transport (Bromly and Hinz 2004;Zoia et al 2010;Aziz et al 2018;Hasan et al 2019Hasan et al , 2020. Furthermore, numerical simulations showed that the emergence of highly heterogeneous velocity distributions is related to the development of high-velocity regions (preferential flow paths) and low-velocity regions (stagnation zones) (Triadis et al 2019;Velásquez-Parra et al 2021), which leads to enhanced solute spreading and chemical reactivity (Sole-Mari and Fernàndez-Garcia 2018;Nissan and Berkowitz 2019;Jiménez-Martínez et al 2020).…”

Section: Introductionmentioning

confidence: 99%

“… 2019 ; Velásquez-Parra et al. 2021 ), which leads to enhanced solute spreading and chemical reactivity (Sole-Mari and Fernàndez-Garcia 2018 ; Nissan and Berkowitz 2019 ; Jiménez-Martínez et al. 2020 ).…”

Section: Introductionmentioning

confidence: 99%

Upscaling Mixing-Controlled Reactions in Unsaturated Porous Media

et al. 2021

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We study mixing-controlled chemical reactions in unsaturated porous media from a pore-scale perspective. The spatial heterogeneity induced by the presence of two immiscible phases, here water and air, in the pore space generates complex flow patterns that dominate reactive mixing across scales. To assess the impact of different macroscopic saturation states (the fraction of pore volume occupied by water) on mixing-controlled chemical reactions, we consider a fast irreversible reaction between two initially segregated dissolved species that mix as one solution displaces the other in the heterogeneous flow field of the water phase. We use the pore-scale geometry and water distributions from the laboratory experiments reported by Jiménez-Martínez et al. (Geophys. Res. Lett. 42: 5316–5324, 2015). We analyze reactive mixing in three complementary ways. Firstly, we post-process experimentally observed spatially distributed concentration data; secondly, we perform numerical simulations of flow and reactive transport in the heterogeneous water phase, and thirdly, we use an upscaled mixing model. The first approach relies on an exact algebraic map between conservative and reactive species for an instantaneous irreversible bimolecular reaction that allows to estimate reactive mixing based on experimental conservative transport data. The second approach is based on reactive random walk particle tracking simulations in the numerically determined flow field in the water phase. The third approach uses a dispersive lamella approach that accounts for the impact of flow heterogeneity on mixing in terms of effective dispersion coefficients, which are estimated from both experimental data and numerical random walk particle tracking simulations. We observe a significant increase in reactive mixing for decreasing saturation, which is caused by the stronger heterogeneity of the water phase and thus of the flow field. This is consistently observed in the experimental data and the direct numerical simulations. The dispersive lamella model, parameterized by the effective interface width, provides robust estimates of the evolution of the product mass obtained from the experimental and numerical data.

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“…Furthermore, large uncertainties affect the phenomenological model itself. Kinetics rates in natural media span over orders of magnitude (Marty et al, 2015); activity models for the brines usually encountered in the subsurface lack parameterization for higher temperature, salinity, or for many elements (Dethlefsen et al, 2011;Appelo et al, 2013;Moog et al, 2015); and even larger uncertainty concerns the parameterization of the subsurface, regarding, for example, the heterogeneity of rock mineralogy, which is mostly unknown and hence often disregarded (De Lucia et al, 2011;Nissan and Berkowitz, 2019). It may thus appear unjustified to allocate large computational resources to solve very expensive yet still actually oversimplified or uncertain problems.…”

Section: Introductionmentioning

confidence: 99%

DecTree v1.0 – chemistry speedup in reactive transport simulations: purely data-driven and physics-based surrogates

Lucia

Kühn

2021

Geosci. Model Dev.

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Abstract. The computational costs associated with coupled reactive transport simulations are mostly due to the chemical subsystem: replacing it with a pre-trained statistical surrogate is a promising strategy to achieve decisive speedups at the price of small accuracy losses and thus to extend the scale of problems which can be handled. We introduce a hierarchical coupling scheme in which “full-physics” equation-based geochemical simulations are partially replaced by surrogates. Errors in mass balance resulting from multivariate surrogate predictions effectively assess the accuracy of multivariate regressions at runtime: inaccurate surrogate predictions are rejected and the more expensive equation-based simulations are run instead. Gradient boosting regressors such as XGBoost, not requiring data standardization and being able to handle Tweedie distributions, proved to be a suitable emulator. Finally, we devise a surrogate approach based on geochemical knowledge, which overcomes the issue of robustness when encountering previously unseen data and which can serve as a basis for further development of hybrid physics–AI modelling.

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Reactive Transport in Heterogeneous Porous Media Under Different Péclet Numbers

Cited by 9 publications

References 41 publications

Combination of MRI and SEM to Assess Changes in the Chemical Properties and Permeability of Porous Media due to Barite Precipitation

Combination of MRI and SEM to Assess Changes in the Chemical Properties and Permeability of Porous Media due to Barite Precipitation

Upscaling Mixing-Controlled Reactions in Unsaturated Porous Media

DecTree v1.0 – chemistry speedup in reactive transport simulations: purely data-driven and physics-based surrogates

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