Lattice Boltzmann-Based Approaches for Pore-Scale Reactive Transport

Yoon, Hongkyu; Kang, Qinjun; Valocchi, Albert J.

doi:10.2138/rmg.2015.80.12

Cited by 92 publications

(51 citation statements)

References 203 publications

(268 reference statements)

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“…Flow and solute transport in water‐saturated porous rock and porous material in general have been the focus of intense research over several decades. The quantification and prediction of observed flow and transport phenomena plays a central role in many areas of science and engineering including groundwater hydrology (e.g., pollution risk analysis and remediation), nuclear waste disposal, underground storage of CO 2 and shale gas exploration [ Gouze et al ., ; Yoon et al ., ; Russian et al ., ], but also transport in biological tissues [ Sen and Basser , ], for example. The main focus of traditional approaches to quantify effective transport, has been the development of macrodispersion models [ Dentz et al ., , and literature therein].…”

Section: Introductionmentioning

confidence: 99%

Dual control of flow field heterogeneity and immobile porosity on non‐Fickian transport in Berea sandstone

Gjetvaj

Russian

Gouze

et al. 2015

Water Resources Research

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International audienceBoth flow field heterogeneity and mass transfer between mobile and immobile domains have been studied separately for explaining observed anomalous transport. Here we investigate non-Fickian transport using high-resolution 3-D X-ray microtomographic images of Berea sandstone containing microporous cement with pore size below the setup resolution. Transport is computed for a set of representative elementary volumes and results from advection and diffusion in the resolved macroporosity (mobile domain) and diffusion in the microporous phase (immobile domain) where the effective diffusion coefficient is calculated from the measured local porosity using a phenomenological model that includes a porosity threshold ( inline image) below which diffusion is null and the exponent n that characterizes tortuosity-porosity power-law relationship. We show that both flow field heterogeneity and microporosity trigger anomalous transport. Breakthrough curve (BTC) tailing is positively correlated to microporosity volume and mobile-immobile interface area. The sensitivity analysis showed that the BTC tailing increases with the value of inline image, due to the increase of the diffusion path tortuosity until the volume of the microporosity becomes negligible. Furthermore, increasing the value of n leads to an increase in the standard deviation of the distribution of effective diffusion coefficients, which in turn results in an increase of the BTC tailing. Finally, we propose a continuous time random walk upscaled model where the transition time is the sum of independently distributed random variables characterized by specific distributions. It allows modeling a 1-D equivalent macroscopic transport honoring both the control of the flow field heterogeneity and the multirate mass transfer between mobile and immobile domains

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Section: Introductionmentioning

confidence: 99%

Dual control of flow field heterogeneity and immobile porosity on non‐Fickian transport in Berea sandstone

Gjetvaj

Russian

Gouze

et al. 2015

Water Resources Research

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“…In this model, a discrete form of the Boltzmann scheme is solved on a Cartesian grid and can be shown to reduce to the incompressible Navier-Stokes equations (He and Luo 1997). The LB method has been applied extensively to problems in porous media flows (Sukop and Thorne 2007;Boek and Venturoli 2010;Shah et al 2015;Yoon et al 2015) due to its computational efficiency and simplicity. The central variable is the distribution function f i (x, t) which represents the number of fluid particles at a grid position x, at time t having a velocity which is one of a discrete set indexed by i.…”

Section: Numerical Flow Simulationsmentioning

confidence: 99%

High-Resolution 3D FIB-SEM Image Analysis and Validation of Numerical Simulations of Nanometre-Scale Porous Ceramic with Comparisons to Experimental Results

Welch

Gray

Butcher³

et al. 2017

Transp Porous Med

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The development of focused ion beam-scanning electron microscopy (FIB-SEM) techniques has allowed high-resolution 3D imaging of nanometre-scale porous materials. These systems are of important interest to the oil and gas sector, as well as for the safe long-term storage of carbon and nuclear waste. This work focuses on validating the accurate representation of sample pore space in FIB-SEM-reconstructed volumes and the predicted permeability of these systems from subsequent single-phase flow simulations using a highly homogeneous nanometre-scale, mesoporous (2-50 nm) to macroporous (>50 nm), porous ceramic in initial developments for digital rock physics. The limited volume of investigation available from FIB-SEM has precluded direct quantitative validation of petrophysical parameters estimated from such studies on rock samples due to sample heterogeneity, large variations in recorded sample pore sizes and lack of pore connectivity. By using homogeneous synthetic ceramic samples we have shown that lattice-Boltzmann flow simulations using processed FIB-SEM images are capable of predicting the permeability of a homogeneous material dominated by 10-100 nanometre-scale pores (similar, albeit simpler, to those in natural samples) at the much larger scale where permeability measurements become practical. This result shows the LB flow simulations can be used with confidence in pores at this scale allowing future work to focus on sample preparation techniques for samples sensitive to drying and multiple FIB-SEM site selection for the population of larger-scale models for heterogeneous systems.

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“…In this section, we review a handful of direct modeling approaches recently used at the pore scale. These include computational fl uid dynamics (CFD) (Wendt 2009;Molins et al 2014;Trebotich et al 2014;Molins 2015, this volume), Lattice-Boltzmann (LB) (Chen and Doolen 1998;Yoon et al 2015, this volume), and smoothed particle hydrodynamics (SPH) (Monaghan 1992;Tartakovsky et al 2008b). These methods can be used to solve the governing Equations (1-2) for single-phase, incompressible, Newtonian fl ow on the pore space.…”

Section: Direct Pore-scale Modelingmentioning

confidence: 99%