Pore-scale and continuum simulations of solute transport micromodel benchmark experiments

Oostrom, Martinus; Mehmani, Yashar; Romero-Gómez, Pedro; Tang, Youneng; Liu, H.; Yoon, Hongkyu; Kang, Qinjun; Niasar, Vahid; Balhoff, Matthew T.; Dewers, Thomas; Tartakovsky, G.; Leist, E. A.; Hess, Nancy J.; Perkins, William; Rakowski, Cynthia L.; Richmond, Marshall C.; Serkowski, John A.; Werth, Charles J.; Valocchi, Albert J.; Wietsma, Thomas; Zhang, C.

doi:10.1007/s10596-014-9424-0

Cited by 67 publications

(76 citation statements)

References 59 publications

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“…This is the basis for all of the benchmarks presented in this special issue. Benchmarks for pore scale representations of flow and transport have been presented recently in Oostrom et al [4].…”

Section: Continuum Approachmentioning

confidence: 99%

Reactive transport codes for subsurface environmental simulation

et al. 2014

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A general description of the mathematical and numerical formulations used in modern numerical reactive transport codes relevant for subsurface environmental simulations is presented. The formulations are followed by short descriptions of commonly used and available subsurface simulators that consider continuum representations of flow, transport, and reactions in porous media. These formulations are applicable to most of the subsurface environmental benchmark problems included in this special issue. The list of codes described briefly here includes PHREEQC, HPx, PHT3D, OpenGeoSys (OGS), HYTEC, ORCHESTRA, TOUGHREACT, eSTOMP, HYDROGEOCHEM, CrunchFlow, MIN3P, and PFLOTRAN. The descriptions include a C. I. Steefel ( ) · B. Arora · S. Molins · N. Spycher

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Section: Continuum Approachmentioning

confidence: 99%

Reactive transport codes for subsurface environmental simulation

et al. 2014

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“…While for simple single-and two-phase systems pore-network models seem still reliable and fast for parametrization, screening, and hypothesis testing, the thermodynamic-based pore-scale models can be used for more complex systems where phase change or thermodynamics of the system are important. It should be emphasized similar to the work by Oostrom et al [17] that other systematic collaborative studies to compare the predictive capabilities of different numerical models for two-phase flow and more complex problems should be done. Having the same basis and same level of available data for different methods will create the basis for a justified comparison between different methods.…”

Section: Which Pore-scale Modelling Technique To Be Used? Balancing Ementioning

confidence: 88%

“…Oostrom et al [17] present steady-state single-phase transport in micromodels and quantify the steady-state lateral dispersion. Two different lattice Boltzmann models, two different pore-network models, a full CFD model, and a continuum-scale model were employed to predict the lateral dispersion coefficient under single-phase steady-state conditions.…”

Section: Focus Of This Special Issuementioning

confidence: 99%

“…Although on one hand in the existing case studies [17][18][19] pore-network models have shown satisfactory results compared to the direct numerical methods, on the other hand no systematic comparative study for two-phase flow has been done to pinpoint weaknesses and strengths of each method. Moreover, direct numerical methods have usually diffuse fluid-fluid interfaces and show significant sensitivity to the parameterization.…”

Section: Which Pore-scale Modelling Technique To Be Used? Balancing Ementioning

confidence: 99%

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Pore-scale modelling techniques: balancing efficiency, performance, and robustness

Niasar

2016

Comput Geosci

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BackgroundPore-scale modelling is now a well-established progressive research field, which has significantly contributed to fundamental understanding of flow and transport in porous media in the last five decades. Examples can be (and not limited to) reservoir engineering [1][2][3][4], environmental hydrogeology [5], paper and pulp industry [6], fuel cells [7], biology, and medical science [8].The first pore-scale model was developed by Fatt in 1956 [9], who simulated the capillary pressure curve as a function of saturation using a pore-network model. After this legendary work, pore-network models, mainly dominated by quasi-static pore-network models, were developed and applied to reservoir engineering and hydrogeology problems. The pore-network modelling opened up a new horizon in understanding the constitutive relations for two-phase flow such as capillary pressure and relative permeability curves [10,11], and at a later stage exploring the transport phenomena in porous media [12]. With further technological developments in micromodel and X-ray imaging facilities and computational infrastructures, quantitative pore-network models were further developed [13]. Almost all pore-network models for different applications share the common principles: they require analytical or semianalytical solutions for a given specific research problem at the pore scale, meaning that the domain geometry requires to be well defined. That implies that the idealization of pore space to interconnected simplified geometries is inevitable.To alleviate this restriction of pore-network models, direct numerical modelling techniques are employed where the equations are solved numerically on the original pore space without any geometrical idealization. The most commonly used method is lattice Boltzmann (LB) modelling. However, there are several other methods such as smoothed particle hydrodynamics (SPH), level set (LS), volume of fluids (VoF), and density functional method (DFM), which can handle the numerical simulation within the exact geometry. Focus of this special issueThis special issue presents reviews of three major direct numerical methods, namely LB, SPH, and DFM, to simulate complex processes in porous media. Liu et al. [14] reviewed simulation of single-phase and multiphase multicomponent flow at pore level using the LB method. They reviewed different LB methods, discussed their advantages and disadvantages, and concluded that one method cannot be necessarily the most preferred one. In another review paper by Tartakovsky et al. [15], the SPH method as a Lagrangian method based on a meshless discretization of partial differential equations is discussed. They present the Navier-Stokes and advection-diffusion-reaction equations, implementation of various boundary conditions, and time integration of the SPH equations, and they discuss applications of the SPH method for modelling porescale multiphase flows and reactive transport in porous and fractured media. In another review paper by Dinariev and Evseev [16], applications of densit...

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“…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]. A brief review of mixing, spreading and reaction in heterogeneous media has been given in [46].…”

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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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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Pore-scale and continuum simulations of solute transport micromodel benchmark experiments

Cited by 67 publications

References 59 publications

Reactive transport codes for subsurface environmental simulation

Reactive transport codes for subsurface environmental simulation

Pore-scale modelling techniques: balancing efficiency, performance, and robustness

Hybrid multiscale simulation of a mixing-controlled reaction

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