Experimental and modeling investigation of multicomponent reactive transport in porous media

Katz, Graham; Berkowitz, Brian; Guadagnini, Alberto; Saaltink, Maarten W.

doi:10.1016/j.jconhyd.2009.11.002

Cited by 66 publications

(88 citation statements)

References 40 publications

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“…Because of the incorrect assumption of complete mixing at the grid scale in the single-scale model, the effective rate of reaction is too high and the amount of reaction product generated is over-estimated by ∼15%. While we do not have experimental data that can be used to quantitatively test this result, it is qualitatively consistent with a large body of literature that has demonstrated reduced effective reaction rates in mixingcontrolled reaction systems (e.g., [10,47,50,85]). It is interesting that the differences in produced mass are relatively small while the local reaction rate is diminished by orders of magnitude in the central cells.…”

Section: Reaction Rates and Reaction Product Masssupporting

confidence: 87%

“…Of particular note are reactive transport processes in which reaction rates are not limited by fundamental molecular interactions, but instead are controlled by mixing processes (primarily diffusion) at interfaces between fluid and/or solid phases containing the various reactants [44][45][46]. These mixing-controlled reactions are often characterized by sharp local gradients and localized reaction zones; example problems include biologically-mediated natural attenuation of dissolved contaminant plumes [47,48], precipitation/dissolution reactions [10,49,50], incomplete mixing effects on reaction rates [51][52][53][54][55][56][57] and biofilm dynamics [11,58]. There have been many representative pore-scale modeling works on transverse mixing-controlled reactive transport [58][59][60][61][62][63][64][65][66].…”

Section: Introductionmentioning

confidence: 99%

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Hybrid multiscale simulation of a mixing-controlled reaction

Scheibe

Schuchardt

Agarwal

et al. 2015

Advances in Water Resources

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a b s t r a c tContinuum-scale models, which employ a porous medium conceptualization to represent properties and processes averaged over a large number of solid grains and pore spaces, are widely used to study subsurface flow and reactive transport. Recently, pore-scale models, which explicitly resolve individual soil grains and pores, have been developed to more accurately model and study pore-scale phenomena, such as mineral precipitation and dissolution reactions, microbially-mediated surface reactions, and other complex processes. However, these highly-resolved models are prohibitively expensive for modeling domains of sizes relevant to practical problems. To broaden the utility of pore-scale models for larger domains, we developed a hybrid multiscale model that initially simulates the full domain at the continuum scale and applies a pore-scale model only to areas of high reactivity. Since the location and number of pore-scale model regions in the model varies as the reactions proceed, an adaptive script defines the number and location of pore regions within each continuum iteration and initializes pore-scale simulations from macroscale information. Another script communicates information from the pore-scale simulation results back to the continuum scale. These components provide loose coupling between the pore-and continuum-scale codes into a single hybrid multiscale model implemented within the SWIFT workflow environment. In this paper, we consider an irreversible homogeneous bimolecular reaction (two solutes reacting to form a third solute) in a 2D test problem. This paper is focused on the approach used for multiscale coupling between pore-and continuumscale models, application to a realistic test problem, and implications of the results for predictive simulation of mixing-controlled reactions in porous media. Our results and analysis demonstrate that the hybrid multiscale method provides a feasible approach for increasing the accuracy of subsurface reactive transport simulations.

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Section: Reaction Rates and Reaction Product Masssupporting

confidence: 87%

Section: Introductionmentioning

confidence: 99%

Hybrid multiscale simulation of a mixing-controlled reaction

Scheibe

Schuchardt

Agarwal

et al. 2015

Advances in Water Resources

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“…In a study by Tartakovsky et al (2008) of the side-by-side injection of solutions of calcium carbonate and sodium bicarbonate into a homogeneous porous medium, CaCO 3 precipitation progressed along the mixing interface in a narrow band for the length of the sand bed. Katz et al (2011) conducted a similar experiment and observed similar results. Katz et al also reported observing a "mild shift" of the precipitate toward the carbonate side of the flow cell.…”

Section: Introductionmentioning

confidence: 53%

Experimental and Numerical Analysis of Parallel Reactant Flow and Transverse Mixing with Mineral Precipitation in Homogeneous and Heterogeneous Porous Media

et al. 2015

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Formation of mineral precipitates in the mixing interface between two reactant solutions flowing in parallel in porous media is governed by reactant mixing by diffusion and dispersion and is coupled to changes in porosity/permeability due to precipitation. The spatial and temporal distribution of mixing-dependent precipitation of barium sulfate in porous media was investigated with side-by-side injection of barium chloride and sodium sulfate solutions in thin rectangular flow cells packed with quartz sand. The results for homogeneous sand beds were compared to beds with higher or lower permeability inclusions positioned in the path of the mixing zone. In the homogeneous and high permeability inclusion experiments, BaSO 4 precipitate (barite) formed in a narrow deposit along the length and in the center of the solution-solution mixing zone even though dispersion was enhanced within, and downstream of, the high permeability inclusion. In the low permeability inclusion experiment, the deflected BaSO 4 precipitation zone broadened around one side and downstream of the inclusion and was observed to migrate laterally toward the sulfate solution. A continuum-scale fully coupled reactive transport model that simultaneously solves the nonlinear governing equations for fluid flow, transport of reactants and geochemical reactions was used to simulate the experiments and provide insight into mechanisms underlying the experimental observations. Migration of the precipitation zone in the low permeability inclusion experiment could be explained by the coupling effects among fluid flow, reactant transport and localized mineral precipitation reaction.

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“…Although truly quantitative predictions using RTM are still difficult to achieve (e.g. Katz et al 2011), compare and contrast studies allow us to link depositional environments and climate variations to patterns of early diagenesis (Whitaker & Xiao 2010;Whitaker et al 2014) or to quantify how strata and structures around three-dimensional (3D) faults influence resulting patterns of dolomite geobody characteristics Gomez-Rivas et al 2014). The outcome of RTM models can then guide the modelling of geobodies, porosity and permeability evolution in between wells, ensuring that the static geological model is self-consistent.…”

Section: Selected Advancesmentioning

confidence: 99%

“…Hence, the ADRE does not model the spreading and mixing of solutes correctly, and any subsequent chemical reactions are going to be estimated incorrectly (Dentz et al 2011). This probably helps to explain why Katz et al (2011) were not able to properly match well-calibrated laboratory experiments of reactive transport through carbonates using RTM, and so limits the predictability of any simulation studies that involve fluid -rock interactions in carbonate rocks, from RTM to EOR. It is therefore to be expected that any results from field-scale simulations of reactive-transport processes in carbonate reservoirs, from geological to production timescales, are biased because of the limitations of the ADRE.…”

Section: Background and Challengesmentioning

confidence: 99%

Fundamental controls on fluid flow in carbonates: current workflows to emerging technologies

Agar

Geiger

2014

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The introduction reviews topics relevant to the fundamental controls on fluid flow in carbonate reservoirs and to the prediction of reservoir performance. The review provides research and industry contexts for papers in this volume only. A discussion of global context and frameworks emphasizes the value yet to be captured from compare and contrast studies. Multidisciplinary efforts highlight the importance of greater integration of sedimentology, diagenesis and structural geology. Developments in analytical and experimental methods, stimulated by advances in the materials sciences, support new insights into fundamental (pore-scale) processes in carbonate rocks. Subsurface imaging methods relevant to the delineation of heterogeneities in carbonates highlight techniques that serve to decrease the gap between seismically resolvable features and well-scale measurements. Methods to fuse geological information across scales are advancing through multiscale integration and proxies. A surge in computational power over the last two decades has been accompanied by developments in computational methods and algorithms. Developments related to visualization and data interaction support stronger geoscience-engineering collaborations. High-resolution and real-time monitoring of the subsurface are driving novel sensing capabilities and growing interest in data mining and analytics. Together, these offer an exciting opportunity to learn more about the fundamental fluid-flow processes in carbonate reservoirs at the interwell scale.

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Experimental and modeling investigation of multicomponent reactive transport in porous media

Cited by 66 publications

References 40 publications

Hybrid multiscale simulation of a mixing-controlled reaction

Hybrid multiscale simulation of a mixing-controlled reaction

Experimental and Numerical Analysis of Parallel Reactant Flow and Transverse Mixing with Mineral Precipitation in Homogeneous and Heterogeneous Porous Media

Fundamental controls on fluid flow in carbonates: current workflows to emerging technologies

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