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1.
The macroscopic spreading and mixing of solute plumes in saturated porous media is ultimately controlled by processes operating at the pore scale. Whilst the conventional picture of pore-scale mechanical dispersion and molecular diffusion leading to persistent hydrodynamic dispersion is well accepted, this paradigm is inherently two-dimensional (2D) in nature and neglects important three-dimensional (3D) phenomena. We discuss how the kinematics of steady 3D flow at the pore scale generate chaotic advection—involving exponential stretching and folding of fluid elements—the mechanisms by which it arises and implications of microscopic chaos for macroscopic dispersion and mixing. Prohibited in steady 2D flow due to topological constraints, these phenomena are ubiquitous due to the topological complexity inherent to all 3D porous media. Consequently 3D porous media flows generate profoundly different fluid deformation and mixing processes to those of 2D flow. The interplay of chaotic advection and broad transit time distributions can be incorporated into a continuous-time random walk (CTRW) framework to predict macroscopic solute mixing and spreading. We show how these results may be generalised to real porous architectures via a CTRW model of fluid deformation, leading to stochastic models of macroscopic dispersion and mixing which both honour the pore-scale kinematics and are directly conditioned on the pore-scale architecture.  相似文献   

2.
Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include 1) methods that explicitly model the three-dimensional geometry of pore spaces and 2) methods that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the first type based on the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This study provides support for confidence in a variety of pore-scale modeling methods and motivates further development and application of pore-scale simulation methods.  相似文献   

3.
Modelling adsorptive solute transport in soils needs a number of parameters to describe its reaction kinetics and the values of these parameters are usually determined from batch and displacement experiments. Some experimental results reveal that when describing the adsorption as first-order kinetics, its associated reaction rates are not constants but vary with pore water velocity. Explanation of this varies but an independent verification of each explanation is difficult because simultaneously measuring the spatiotemporal distributions of dissolved and adsorbed solutes in soils is formidable. Pore-scale modelling could play an important role to address this gap and has received increased attention over the past few years. This paper investigated the transport of adsorptive solute in a simple porous medium using pore-scale modelling. Fluid flow through the void space of the medium was assumed to be laminar and in saturated condition, and solute transport consisted of advection and molecular diffusion; the sorption and desorption occurring at the fluid–solid interface were modelled as linear first-order kinetics. Based on the simulated spatiotemporal distribution of dissolved and adsorbed solutes at pore scale, volumetric-average reaction kinetics at macroscopic scale and its associated reactive parameters were measured. Both homogeneous adsorption where the reaction rates at microscopic scale are constant, and heterogeneous adsorption where the reaction rates vary from site to site, were investigated. The results indicate that, in contrast to previously thought, the macroscopic reaction rates directly measured from the pore-scale simulations do not change with pore velocity under both homogeneous and heterogeneous adsorptions. In particular, we found that for the homogeneous adsorption, the macroscopic adsorption remains first-order kinetic and can be described by constant reaction rates, regardless of flow rate; whilst for the heterogeneous adsorption, the macroscopic adsorption kinetics continues not to be affected by flow rate but is no longer first-order kinetics that can be described by constant reaction rates. We discuss how these findings could help explain some contrary literature reports over the dependence of reaction rates on pore water velocity.  相似文献   

4.
Transport of nonsorbing solutes in a streambed with periodic bedforms   总被引:1,自引:0,他引:1  
Previous studies of hyporheic zone focused largely on the net mass transfer of solutes between stream and streambed. Solute transport within the bed has attracted less attention. In this study, we combined flume experiments and numerical simulations to examine solute transport processes in a streambed with periodic bedforms. Solute originating from the stream was subjected to advective transport driven by pore water circulation due to current–bedform interactions as well as hydrodynamic dispersion in the porous bed. The experimental and numerical results showed that advection played a dominant role at the early stage of solute transport, which took place in the hyporheic zone. Downward solute transfer to the deep ambient flow zone was controlled by transverse dispersion at the later stage when the elapsed time exceeded the advective transport characteristic time tc (= L/uc with L being the bedform length and uc the characteristic pore water velocity). The advection-based pumping exchange model was found to predict reasonably well solute transfer between the overlying water and streambed at the early stage but its performance deteriorated at the later stage. With dispersion neglected, the pumping exchange model underestimated the long-term rate and total mass of solute transfer from the overlying water to the bed. Therefore both advective and dispersive transport components are essential for quantification of hyporheic exchange processes.  相似文献   

5.
6.
A significant body of current research is aimed at developing methods for numerical simulation of flow and transport in porous media that explicitly resolve complex pore and solid geometries, and at utilizing such models to study the relationships between fundamental pore-scale processes and macroscopic manifestations at larger (i.e., Darcy) scales. A number of different numerical methods for pore-scale simulation have been developed, and have been extensively tested and validated for simplified geometries. However, validation of pore-scale simulations of fluid velocity for complex, three-dimensional (3D) pore geometries that are representative of natural porous media is challenging due to our limited ability to measure pore-scale velocity in such systems. Recent advances in magnetic resonance imaging (MRI) offer the opportunity to measure not only the pore geometry, but also local fluid velocities under steady-state flow conditions in 3D and with high spatial resolution. In this paper, we present a 3D velocity field measured at sub-pore resolution (tens of micrometers) over a centimeter-scale 3D domain using MRI methods. We have utilized the measured pore geometry to perform 3D simulations of Navier–Stokes flow over the same domain using direct numerical simulation techniques. We present a comparison of the numerical simulation results with the measured velocity field. It is shown that the numerical results match the observed velocity patterns well overall except for a variance and small systematic scaling which can be attributed to the known experimental uncertainty in the MRI measurements. The comparisons presented here provide strong validation of the pore-scale simulation methods and new insights for interpretation of uncertainty in MRI measurements of pore-scale velocity. This study also provides a potential benchmark for future comparison of other pore-scale simulation methods. © 2012 Elsevier Science. All rights reserved.  相似文献   

7.
A macroscopic transport model is developed, following the Taylor shear dispersion analysis procedure, for a 2D laminar shear flow between parallel plates possessing a constant specified concentration. This idealized geometry models flow with contaminant dissolution at pore-scale in a contaminant source zone and flow in a rock fracture with dissolving walls. We upscale a macroscopic transient transport model with effective transport coefficients of mean velocity, macroscopic dispersion, and first-order mass transfer rate. To validate the macroscopic model the mean concentration, covariance, and wall concentration gradient are compared to the results of numerical simulations of the advection–diffusion equation and the Graetz solution. Results indicate that in the presence of local-scale variations and constant concentration boundaries, the upscaled mean velocity and macrodispersion coefficient differ from those of the Taylor–Aris dispersion, and the mass transfer flux described by the first-order mass transfer model is larger than the diffusive mass flux from the constant wall. In addition, the upscaled first-order mass transfer coefficient in the macroscopic model depends only on the plate gap and diffusion coefficient. Therefore, the upscaled first-order mass transfer coefficient is independent of the mean velocity and travel distance, leading to a constant pore-scale Sherwood number of 12. By contrast, the effective Sherwood number determined by the diffusive mass flux is a function of the Peclet number for small Peclet number, and approaches a constant of 10.3 for large Peclet number.  相似文献   

8.
This pore-scale modeling study in saturated porous media shows that compound-specific effects are important not only at steady-state and for the lateral displacement of solutes with different diffusivities but also for transient transport and solute breakthrough. We performed flow and transport simulations in two-dimensional pore-scale domains with different arrangement of the solid grains leading to distinct characteristics of flow variability and connectivity, representing mildly and highly heterogeneous porous media, respectively. The results obtained for a range of average velocities representative of groundwater flow (0.1–10 m/day), show significant effects of aqueous diffusion on solute breakthrough curves. However, the magnitude of such effects can be masked by the flux-averaging approach used to measure solute breakthrough and can hinder the correct interpretation of the true dilution of different solutes. We propose, as a metric of mixing, a transient flux-related dilution index that allows quantifying the evolution of solute dilution at a given position along the main flow direction. For the different solute transport scenarios we obtained dilution breakthrough curves that complement and add important information to traditional solute breakthrough curves. Such dilution breakthrough curves allow capturing the compound-specific mixing of the different solutes and provide useful insights on the interplay between advective and diffusive processes, mass transfer limitations, and incomplete mixing in the heterogeneous pore-scale domains. The quantification of dilution for conservative solutes is in good agreement with the outcomes of mixing-controlled reactive transport simulations, in which the mass and concentration breakthrough curves of the product of an instantaneous transformation of two initially segregated reactants were used as measures of reactive mixing.  相似文献   

9.
《Advances in water resources》2007,30(6-7):1421-1431
Recent studies indicate that during in situ bioremediation of contaminated groundwater, degradation occurs primarily along transverse mixing zones. Classical reactive-transport models overpredict the amount of degradation because solute spreading and mixing are not distinguished. Efforts to correct this have focused on modifying both dispersion and reaction terms, but no consensus on the best approach has emerged. In this work, a pore-scale model was used to simulate degradation along a transverse mixing zone between two required nutrients, and a continuum model with fitted parameters was used to match degradation rates from the pore-scale model. The pore-scale model solves for the flow field, concentration field, and biomass development within pore spaces of porous medium. For the continuum model, the flow field and biomass distributions are assumed to be homogeneous, and the fitting parameters are the transverse dispersion coefficient (DT) and maximum substrate utilization rate (kS,c). Results from the pore-scale model show that degradation rates near the system inlet are limited by the reaction rate, while degradation rates downgradient are limited by transverse mixing. For the continuum model, the value of DT may be adjusted so that the degradation rate with distance matches that from the pore-scale model in the mixing-limited region. However, adjusting the value of kS only improves the fit to pore-scale results within the reaction-limited region. Comparison with field and laboratory experiments suggests that the length of the reaction rate-limited region is small compared to the length scale over which degradation occurs. This indicates that along transverse mixing zones in the field, values of kS are unimportant and only the value of DT must be accurately fit.  相似文献   

10.
11.
We consider an Eulerian–Lagrangian localized adjoint method (ELLAM) applied to nonlinear model equations governing solute transport and sorption in porous media. Solute transport in the aqueous phase is modeled by standard advection and hydrodynamic dispersion processes, while sorption is modeled with a nonlinear local-equilibrium model. We present our implementation of finite volume ELLAM (FV-ELLAM) and finite element (FE-ELLAM) discretizations to the reactive transport model and evaluate their performance for several test problems containing self-sharpening fronts.  相似文献   

12.
Transport in porous media is often characterized by the advection–dispersion equation, with the dispersion coefficient as the most important parameter that links the hydrodynamics to the transport processes. Morphological properties of any porous medium, such as pore size distribution, network topology, and correlation length control transport. In this study we explore the impact of correlation length on transport regime using pore-network modelling. Earlier direct simulation studies of dispersion in carbonate and sandstone rocks showed larger dispersion compared to granular homogenous sandpacks. However, in these studies, isolation of the impact of correlation length on transport regime was not possible due to the fundamentally different pore morphologies and pore-size distributions. Against this limitation, we simulate advection–dispersion transport for a wide range of Péclet numbers in unstructured irregular networks with “different” correlation lengths but “identical” pore size distributions and pore morphologies. Our simulation results show an increase in the magnitudes of the estimated dispersion coefficients in correlated networks compared to uncorrelated ones in the advection-controlled regime. The range of the Péclet numbers which dictate mixed advection–diffusion regime considerably reduces in the correlated networks. The findings emphasize the critical role of correlation length which is depicted in a conceptual transport phase diagram and the importance of accounting for the micro-scale correlation lengths into predictive stochastic pore-scale modelling.  相似文献   

13.
14.
Understanding the transport of chemical components in porous media is fundamentally important to many reservoir processes such as contaminant transport and reactive flows involved in CO2 sequestration. Carbonate rocks in particular present difficulties for pore-scale simulations because they contain large amounts of sub-micron porosity. In this work, we introduce a new hybrid simulation model to calculate hydrodynamic dispersion in pore-scale images of real porous media and use this to elucidate the origins and behaviour of stagnant zones arising in transport simulations using micro-CT images of carbonates. For this purpose a stochastic particle model for simulating the transport of a solute is coupled to a Lattice-Boltzmann algorithm to calculate the flow field. The particle method incorporates second order spatial and temporal resolution to resolve finer features of the domain. We demonstrate how dispersion coefficients can be accurately obtained in capillaries, where corresponding analytical solutions are available, even when these are resolved to just a few lattice units. Then we compute molecular displacement distributions for pore-spaces of varying complexity: a pack of beads; a Bentheimer sandstone; and a Portland carbonate. Our calculated propagator distributions are compared directly with recent experimental PFG-NMR propagator distributions (Scheven et al., 2005; Mitchell et al., 2008), the latter excluding spin relaxation mechanisms. We observe that the calculated transport propagators can be quantitatively compared with the experimental distribution, provided that spin relaxations in the experiment are excluded, and good agreement is found for both the sandstone and the carbonate. However, due to the absence of explicit micro-porosity from the carbonate pore space image used for flow field simulations we note that there are fundamental differences in the physical origins of the stagnant zones for micro-porous rocks between simulation and experiment. We show that for a given micro-CT image of a carbonate, small variations in the parameters chosen for the segmentation process lead to different amounts of stagnancy which diffuse away at different rates. Finally, we use a filtering method to show that this is due to the presence of spurious isolated pores which arise from the segmentation process and suggest an approach to overcome this limitation.  相似文献   

15.
Prediction of CO2 injection performance in deep subsurface porous media relies on the ability of the well to maintain high flow rates of carbon dioxide during several decades typically without fracturing the host formation or damaging the well. Dynamics of solid particulate suspensions in permeable media are recognized as one major factor leading to injection well plugging in sandstones. The invading supercritical liquid-like fluid can contain exogenous fine suspensions or endogenous particles generated in situ by physical and chemical interactions or hydrodynamic release mechanisms. Suspended solids can plug the pores possibly leading to formation damage and permeability reduction in the vicinity of the injector. In this study we developed a finite volume simulator to predict the injectivity decline near CO2 injection wells and also for production wells in the context of enhanced oil recovery. The numerical model solves a system of two coupled sets of finite volume equations corresponding to the pressure-saturation two-phase flow, and a second subsystem of solute and particle convection-diffusion equations. Particle transport equations are subject to mechanistic rate laws of colloidal, hydrodynamic release from pore surfaces, blocking in pore bodies and pore throats, and interphase particle transfer. The model was validated against available laboratory experiments at the core scale. Example results reveal that lower CO2 residual saturation and formation porosity enhance CO2-wet particle mobility and clogging around sinks and production wells. We conclude from more realistic simulations with heterogeneous permeability spanning several orders of magnitude that the control mode of mobilization, capture of particles, and permeability reduction processes strongly depends on the type of permeability distribution and connectivity between injection and production wells.  相似文献   

16.
A general methodology is presented for describing transport phenomena in porous media at a macroscopic level. Then, these macroscopic balance equations are integrated (or averaged) along the vertical for confined, leaky and phreatic aquifers.The results are employed to derive (averaged) aquifer equations for the flow of water and of a solute (hydrodynamic dispersion). It is shown that in all cases, the resulting equation is identical to that derived on the basis of an assumption of horizontal flow (the Dupuit assumption).Macrodispersion, occurring at the aquifer level, is discussed and appropriate coefficients are proposed.  相似文献   

17.
18.
In this work we study mixed finite element approximations of Richards’ equation for simulating variably saturated subsurface flow and simultaneous reactive solute transport. Whereas higher order schemes have proved their ability to approximate reliably reactive solute transport (cf., e.g. [Bause M, Knabner P. Numerical simulation of contaminant biodegradation by higher order methods and adaptive time stepping. Comput Visual Sci 7;2004:61–78]), the Raviart–Thomas mixed finite element method (RT0) with a first order accurate flux approximation is popular for computing the underlying water flow field (cf. [Bause M, Knabner P. Computation of variably saturated subsurface flow by adaptive mixed hybrid finite element methods. Adv Water Resour 27;2004:565–581, Farthing MW, Kees CE, Miller CT. Mixed finite element methods and higher order temporal approximations for variably saturated groundwater flow. Adv Water Resour 26;2003:373–394, Starke G. Least-squares mixed finite element solution of variably saturated subsurface flow problems. SIAM J Sci Comput 21;2000:1869–1885, Younes A, Mosé R, Ackerer P, Chavent G. A new formulation of the mixed finite element method for solving elliptic and parabolic PDE with triangular elements. J Comp Phys 149;1999:148–167, Woodward CS, Dawson CN. Analysis of expanded mixed finite element methods for a nonlinear parabolic equation modeling flow into variably saturated porous media. SIAM J Numer Anal 37;2000:701–724]). This combination might be non-optimal. Higher order techniques could increase the accuracy of the flow field calculation and thereby improve the prediction of the solute transport. Here, we analyse the application of the Brezzi-Douglas-Marini element (BDM1) with a second order accurate flux approximation to elliptic, parabolic and degenerate problems whose solutions lack the regularity that is assumed in optimal order error analyses. For the flow field calculation a superiority of the BDM1 approach to the RT0 one is observed, which however is less significant for the accompanying solute transport.  相似文献   

19.
A fundamental understanding of flow in porous media at the pore-scale is necessary to be able to upscale average displacement processes from core to reservoir scale. The study of fluid flow in porous media at the pore-scale consists of two key procedures: Imaging - reconstruction of three-dimensional (3D) pore space images; and modelling such as with single and two-phase flow simulations with Lattice-Boltzmann (LB) or Pore-Network (PN) Modelling. Here we analyse pore-scale results to predict petrophysical properties such as porosity, single-phase permeability and multi-phase properties at different length scales. The fundamental issue is to understand the image resolution dependency of transport properties, in order to up-scale the flow physics from pore to core scale. In this work, we use a high resolution micro-computed tomography (micro-CT) scanner to image and reconstruct three dimensional pore-scale images of five sandstones (Bentheimer, Berea, Clashach, Doddington and Stainton) and five complex carbonates (Ketton, Estaillades, Middle Eastern sample 3, Middle Eastern sample 5 and Indiana Limestone 1) at four different voxel resolutions (4.4 µm, 6.2 µm, 8.3 µm and 10.2 µm), scanning the same physical field of view. Implementing three phase segmentation (macro-pore phase, intermediate phase and grain phase) on pore-scale images helps to understand the importance of connected macro-porosity in the fluid flow for the samples studied. We then compute the petrophysical properties for all the samples using PN and LB simulations in order to study the influence of voxel resolution on petrophysical properties. We then introduce a numerical coarsening scheme which is used to coarsen a high voxel resolution image (4.4 µm) to lower resolutions (6.2 µm, 8.3 µm and 10.2 µm) and study the impact of coarsening data on macroscopic and multi-phase properties. Numerical coarsening of high resolution data is found to be superior to using a lower resolution scan because it avoids the problem of partial volume effects and reduces the scaling effect by preserving the pore-space properties influencing the transport properties. This is evidently compared in this study by predicting several pore network properties such as number of pores and throats, average pore and throat radius and coordination number for both scan based analysis and numerical coarsened data.  相似文献   

20.
Considering heterogeneity in porous media pore size and connectivity is essential to predicting reactive solute transport across interfaces. However, exchange with less‐mobile porosity is rarely considered in surface water/groundwater recharge studies. Previous research indicates that a combination of pore‐fluid sampling and geoelectrical measurements can be used to quantify less‐mobile porosity exchange dynamics using the time‐varying relation between fluid and bulk electrical conductivity. For this study, we use macro‐scale (10 s of cm) advection–dispersion solute transport models linked with electrical conduction in COMSOL Multiphysics to explore less‐mobile porosity dynamics in two different types of observed sediment water interface porous media. Modeled sediment textures contrast from strongly layered streambed deposits to poorly sorted lakebed sands and cobbles. During simulated ionic tracer perturbations, a lag between fluid and bulk electrical conductivity, and the resultant hysteresis, is observed for all simulations indicating differential loading of pore spaces with tracer. Less‐mobile exchange parameters are determined graphically from these tracer time series data without the need for inverse numerical model simulation. In both sediment types, effective less‐mobile porosity exchange parameters are variable in response to changes in flow direction and fluid flux. These observed flow‐dependent effects directly impact local less‐mobile residence times and associated contact time for biogeochemical reaction. The simulations indicate that for the sediment textures explored here, less‐mobile porosity exchange is dominated by variable rates of advection through the domain, rather than diffusion of solute, for typical low‐to‐moderate rate (approximately 3–40 cm/day) hyporheic fluid fluxes. Overall, our model‐based results show that less‐mobile porosity may be expected in a range of natural hyporheic sediments and that changes in flowpath orientation and magnitude will impact less‐mobile exchange parameters. These temporal dynamics can be assessed with the geoelectrical experimental tracer method applied at laboratory and field scales.  相似文献   

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