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Sedimentary Geology 184 (2006) 187 201 www.elsevier.

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On the importance of geological heterogeneity for flow simulation


Timothy T. Eaton *
School of Earth and Environmental Sciences, Queens College, City University of New York, 65-30 Kissena Blvd Flushing, NY 11367, United States

Abstract Geological heterogeneity is recognized as a major control on reservoir production and constraint on many aspects of quantitative hydrogeology. Hydrogeologists and reservoir geologists need to characterize groundwater flow through many different types of geological media for different purposes. In this introductory paper, an updated perspective is provided on the current status of the long effort to understand the effect of geological heterogeneity on flow using numerical simulations. A summary is given of continuum vs. discrete paradigms, and zonal vs. geostatistical approaches, all of which are used to structure model domains. Using these methods and modern simulation tools, flow modelers now have greater opportunities to account for the increasingly detailed understanding of heterogeneous aquifer and reservoir systems. One way of doing this would be to apply a broader interpretation of the idea of hydrofacies, long used by hydrogeologists. Simulating flow through heterogeneous geologic media requires that numerical models capture important aspects of the structure of the flow domain. Hydrofacies are reinterpreted here as scale-dependent hydrogeologic units with a particular representative elementary volume (REV) or structure of a specific size and shape. As such, they can be delineated in indurated sedimentary or even fractured aquifer systems, independently of lithofacies, as well as in the unlithified settings in which they have traditionally been used. This reconsideration of what constitutes hydrofacies, the building blocks for representing geological heterogeneity in flow models, may be of some use in the types of settings described in this special issue. D 2005 Elsevier B.V. All rights reserved.
Keywords: Geological heterogeneity; Groundwater flow; Paradigms; Hydrofacies

1. Introduction Understanding geological heterogeneity is critical for characterization of flow in the subsurface. Heterogeneity includes variations in grain-size, porosity, mineralogy, lithologic texture, rock mechanical properties, structure and diagenetic processes. All these factors cause variations in hydraulic conductivity, storage, and porosity, and thus control flow and transport through these rocks. Since contaminant plumes are subject to dispersion, the details of sedimentary
* Tel.: +1 718 997 3327; fax: +1 718 997 3299. E-mail address: Tim_Eaton@qc.edu. 0037-0738/$ - see front matter D 2005 Elsevier B.V. All rights reserved. doi:10.1016/j.sedgeo.2005.11.002

sequences are more important for transport simulation than they are in regional flow simulation for water supply or reservoir assessment. However, geological heterogeneity is recognized as a major control on reservoir production (Dutton et al., 2003), and constraint on many other aspects of quantitative hydrogeology such as model calibration (Cooley, 2004) and recharge estimation (McCord et al., 1997). Geological heterogeneity is readily apparent in surface outcrops and well logs, yet these represent only small windows into subsurface aquifers or reservoirs, and analogous outcrops may not even be present for many groundwater systems. Moreover, in recent years, flow simulation has benefited from ever-faster and more powerful computer

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processors and graphical user interfaces (GUIs). So, the major obstacle to representation of such geological heterogeneity in groundwater flow models is now less computational than informational. Quantitative hydrogeology originally de-emphasized geological heterogeneity because its theoretical underpinning is based on flow through a homogeneous bequivalent porous mediumQ. Of course, this is a gross simplification applied to the heterogeneous real world. The bias toward an assumption of homogeneity is not surprising because hydrogeologists were at the outset primarily focused on problems of water supply in relatively uniform and highly conductive porous media. Darcy (1856) conducted his experiments with the goal of evaluating the size of sand filters needed for municipal water supply, resulting in the empirical law bearing his name. Theis (1935) developed his approach to calculating aquifer properties by mathematical analogy to heat flow in homogeneous materials. It was only with the advent of studies of groundwater contamination (Bredehoeft and Pinder, 1973; Pinder, 1973; Fried, 1975) that the importance of geological heterogeneity began to be recognized. Still, the limitations of computer simulation capability have long been an important constraint on quantitative analysis of groundwater flow, ensuring that the default assumption of relatively homogeneous media remains entrenched. The purpose of this paper is to provide an updated perspective on the current status of the long effort by hydrogeologists to understand and represent geological heterogeneity in flow models. A comprehensive review of the vast topic of addressing heterogeneity in groundwater systems is beyond the scope of this work. Many reviews (e.g., Koltermann and Gorelick, 1996; Anderson, 1997) and compilations (Fraser and Davis, 1998; Huggenberger and Aigner, 1999; Faybishenko et al., 2000; Bridge and Hyndman, 2004) on different aspects of this subject are now available. Instead, following some background information, several important concepts that underlie the understanding of flow through heterogeneous media will be briefly summarized. Then, an overview of trends in the analysis and simulation of flow in heterogeneous aquifer systems will be presented. Special emphasis will be placed on limitations of methods, selected developments that seem most promising, and a few recent studies of note. The concept of hydrofacies (Poeter and Gaylord, 1990), which had much influence on the field of hydrogeology, will be reviewed. An operational broadening of this concept is proposed that may be of some use in understanding and simulating flow through heterogeneous media. This provides an intro-

ductory framework for the following papers that illustrate some innovative characterization and modeling approaches which deserve wider application. 2. Ubiquity of geological heterogeneity Geological heterogeneity that controls flow manifests itself in all rocks, from unlithified surficial sediments to sedimentary and crystalline bedrock. But most geological formations are not considered aquifers or hydrocarbon reservoirs because they have insufficient porosity and permeability to conduct significant flow to wells. Many of these are fine-grained mudrocks that constitute more than 60% of the sedimentary rocks in the world (Potter et al., 1980). Their hydrogeologic properties have been rarely studied compared to those of more permeable formations, and for the most part, they have been considered boundary conditions: aquitards confining aquifers or bsealsQ for hydrocarbon reservoirs. As aquitards are of increasing interest for protecting aquifers from groundwater contamination (Cherry et al., in press), it is becoming clear that many are quite heterogeneous and often fractured (e.g., Eaton and Bradbury, 2003). Even geologic formations that are used for water supply or petroleum resources have significant spatial heterogeneity in hydraulic conductivity, as indicated by various types of hydraulic testing, and detailed analysis of well logs and outcrops. Of course, the type of geological heterogeneity that needs to be taken into account depends on the scale of the problem under consideration (Schulze-Makuch and Cherkauer, 1998; Beliveau, 2002; Neuman, 2003). But it would seem that significant heterogeneity is present everywhere, on all scales down to centimeters (Allen-King et al., 1998), and even in aquifers originally thought to be classical homogeneous equivalent porous media, such as the Borden site (Sudicky, 1986; Allen-King et al., 2003) in Canada. In unlithified sediments, geological heterogeneity that controls flow is represented by variations in lithofacies, whereas in indurated, crystalline bedrock, it is also represented by fractures. The hydrogeology of unlithified sediments has received much attention by hydrogeologists interested in the question of heterogeneity (Fraser and Davis, 1998; Huggenberger and Aigner, 1999; Bridge and Hyndman, 2004), as has the hydrogeology of fractured rocks (Faybishenko et al., 2000). The focus on these end-members of heterogeneous media has probably been enhanced by the historical development of two classes of methods for describing flow: continuous and discrete methods (discussed in more detail later). However, sedimentary

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Fig. 1. Example of karstic geological heterogeneity in carbonate bedrock from a mine in Poland: 1, dolomite; 2, breccia; 3, clay; 4, sand; 5, dolomite fragments in clay and sand (from Motyka, 1998). Reproduced with permission from Springer.

bedrock aquifers present a special challenge because their heterogeneity can be due to variations in lithofacies, or fracturing, structural deformation, diagenesis and even dissolution (e.g., Fig. 1). While this type of heterogeneity is well known to petroleum geologists, it has been less of a focus for hydrogeologists than the heterogeneity in unlithified material or fractured crystalline rock. The principal goal of this special issue of Sedimentary Geology, therefore, is to stimulate new approaches to applying the tools of sedimentology, stratigraphy, structural geology, rock mechanics, and diagenesis to the problem of characterizing geological heterogeneity and simulating flow in sedimentary bedrock aquifers. With the shortage of hydrogeologic data being a typical challenge for most studies, geophysical methods as well as geologic reasoning are often used to interpolate subsurface structures between data points. Hence, the need has never been greater for cooperative studies between hydrogeologists and other geoscientists to provide a robust basis for flow simulation in heterogeneous groundwater systems. 3. Concepts behind continuum vs. discrete paradigms 3.1. Equivalent porous medium methods The development of hydrogeologic theory rests upon a continuum assumption - that is: flow is consid-

ered on a volumetrically averaged basis at a macroscopic scale in what is assumed to be equivalent to an ideal porous medium. Potential field theory can then be used to describe the smooth variation in hydraulic head, for example the shape of the water table across an area. Application of the principle of mass conservation to the averaged volumes used allows the derivation of governing partial differential equations to represent flow. These equations are the basis for analytical and numerical solutions (generally implemented using finite-difference or finite-element methods) that quantify groundwater flow. The principal parameter governing flow: hydraulic conductivity, is defined at some scale larger than that of the microscopic pores, in order to predict flow given some hydraulic gradient according to Darcys Law. The minimal volume over which the governing equations of flow apply is commonly referred to as a representative elementary volume (REV) (Bear, 1972). The dimensions of such an REV (Fig. 2) are defined according to the purpose of the investigation, but it must be of a size range within which measurable characteristics are statistically significant and remain more or less constant (Bachmat and Bear, 1987; Bear and Bachmat, 1991). Therefore, in a heterogeneous continuum, the REV size must be smaller than the major variations in hydraulic conductivity for this approach to quantitative hydrogeology to be applicable. This REV size range can be less than the size of a core sample (Brown et al., 2000) based on computer tomography, or even smaller. Using

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Fig. 2. Conceptual position of a representative elementary volume (REV) (V 3 or V 4) larger than the microscopic scale, and within the macroscopic size domain (adapted from Bear, 1972; Freeze and Cherry, 1979). Reprinted by permission of Pearson Education, Inc.

Fig. 3. Illustration of fractured geological heterogeneity and its representation in numerical flow models: (a) real fracture network; (b) distribution of head in real network; (c) discrete fracture (DF) model; (d) distribution of head in DF model; (e) continuum model; (f) distribution of head in continuum model (from Hsieh, 1998).

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pore-scale flow simulation, Zhang et al. (2000) suggested the concept of a statistical REV to overcome inconsistencies in observed REV scales for different properties. Extension of the REV concept to hydrogeologic domains in which discrete fractures constitute the principal heterogeneity is a challenge. Estimates of REV size in fractured rock based on simulation of fracture network geometry are on the order of cubic meters (Wang et al., 2002; Min et al., 2004). From a flow modeling perspective, the size of an REV can be defined as a volume across which hydraulic head changes are not significant (Anderson and Woessner, 1992), which is in effect the size of model grid cells (Ingebritsen and Sanford, 1998). Decisions about the resolution of flow model discretization in equivalent porous media must therefore depend on what REV size is appropriate to capture the geological heterogeneity for a given modeling application. The continuum approach can also be taken to understanding flow in highly heterogeneous settings such as fractured rocks (Hsieh, 1998; Selroos et al., 2002; McKenna et al., 2003; Ando et al., 2003). In this case, flow through each individual fracture is not considered, but overall flow through the fracture network is assumed to be reproduced sufficiently well by an equivalent porous medium (Fig. 3). When hydraulic properties due to flow through pore space and fractures are considered simultaneously in overlapping continua, this constitutes what is known as a bdouble-porosityQ model (NRC Committee on Fracture Characterization and Fluid Flow, 1996). Some approaches to flow in carbonate rocks consider btriple-porosityQ models that account for flow in matrix, fractures and conduits (Motyka, 1998; Kaufmann, 2003). 3.2. Discrete fracture and other methods Alternatively, the discrete fracture approach takes into account flow through each fracture characterized by a location, orientation, size and transmissivity. Often, fractures are represented in three dimensions by intersecting circular or elliptic disks (Fig. 4a). The major difficulty with this approach is that it is extremely computationally intensive (Long et al., 1985). It is generally practical only at very small site-specific scales or for special applications like siting of national nuclear waste repositories (Selroos et al., 2002). Slightly simpler approaches are to limit analysis to two dimensions (Min et al., 2004) or to represent the three-dimensional network of disks with a network of channels (Fig. 4b) (Cacas et al., 1990a,b; Moreno and Neretnieks, 1993; Tsang and Neretnieks, 1998) but

Fig. 4. Representation of (a) three-dimensional fracture geometry as intersecting disks in space (from Dershowitz and Einstein, 1988); and (b) inferred flowpaths through fracture planes (from Tsang and Neretnieks, 1998). Copyright 1998 American Geophysical Union. Reproduced by permission of American Geophysical Union.

neither of these techniques is in widespread use for computational reasons. In contrast to the continuum approach of a hydraulic conductivity field, the discrete fracture approach considers the structure of the model domain to be a network of transmissive fractures (Hsieh, 1998). Both seek to reproduce the basic elements of the heterogeneous flow field but cannot replicate all the details (Fig. 3). Another even less common approach is that of percolation theory (Berkowitz and Balberg, 1993; Stauffer and Aharony, 1994), in which statistics about connections between elements that represent pores or fractures provide information about the hydraulic conductivity of larger systems. This connectivity is associated with a critical threshold (the percolation limit) above which a system will conduct flow. The effective hydraulic conductivity of systems above the percolation limit depends on the number of throughgoing flowpaths (Berkowitz, 1995). Percolation theory has most often been described in the physics literature using lattices of

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equidimensional, conductive elements (e.g., Sahimi and Mukhopadhyay, 1996; Bruderer and Bernabe, 2001). Such a lattice above the percolation limit will behave as an equivalent continuum if observed on a large enough scale, but also has aspects of a discrete network. One method for generating such a percolation lattice is through simulated annealing such that model results match hydrologic data (Long et al., 1997). Relatively few workers have applied percolation theory to understanding flow through heterogeneous rocks. Koudina et al. (1998) studied the permeability of a three-dimensional fracture network relative to the percolation threshold. Hestir and Long (1990) obtained an equation for relative hydraulic conductivity based on the average number of fracture intersections between fractures for a two-dimensional network. A recent study of solute dispersion in heterogeneous media (Rivard and Delay, 2004) used a 2D percolation network. Although this approach has most often been applied to pore-scale problems or fracture networks, Proce et al. (2004) related interconnectivity of a hierarchical model of sedimentary architecture to predictions of percolation theory. When heterogeneities are strong enough that flow is controlled by a finite number of preferential flowpaths, a combination of percolation theory and critical path analysis (Hunt, 2001) holds promise for analyzing such systems. 4. Approaches to flow simulation in heterogeneous media Simulation of flow through heterogeneous media requires decisions about structuring the model domain in light of the treatment of heterogeneity as described above. Much depends on how the uncertainty of the model, an inherent property, is perceived. There are two general approaches to handling model uncertainty which can both be applied, whether continuum or discrete fracture conceptualizations are used. They are commonly referred to as the zonal (usually deterministic) formulation and the geostatistical formulation (Gorelick, 1997). The first assumes that the hydraulic conductivity field can be subdivided into zones in which the properties are constant but uncertain, to be determined by model calibration. The second assumes a groundwater domain with continuously variable properties, in which the spatial distribution of these properties is uncertain. Recent developments are increasingly blurring the lines between the two as mixed formulations of zonal and geostatistical approaches to parameterization of model domains become more widespread.

4.1. Zonal formulation The zonal formulation is that which is most widely used among hydrogeologists, because of the ease with which fixed parameters, such as hydraulic conductivity, can be assigned to subsets of model elements (grid blocks or polygons) into which groundwater flow model domains are commonly discretized. Model calibration using btrial and errorQ or inverse methods is then used to adjust these model parameters until simulated hydraulic heads and flows match observation targets of water levels in wells and measured streamflows (Anderson and Woessner, 1992). In recent years, much progress has been made in incorporating methods of nonlinear parameter estimation using inverse methods (McLaughlin and Townley, 1996; Hill, 1998) into standard hydrogeologic practice. A number of numerical codes for this purpose such as UCODE (Poeter and Hill, 1998) and PEST (Doherty, 2002) are now widely available. However, as noted recently by Doherty (2003), most modelers overlook the uncertainty in the spatial zonation of hydraulic properties, as opposed to that of parameter values assigned to different zones. The parameter zonation, which constitutes the model structure, is usually fixed at the stage of model conceptualization, and constitutes an important source of uncertainty. Different conceptual models could involve different schemes of zonation of parameters in a numerical model. Failure to test these alternatives using inverse methods may conceal a major source of error (McLaughlin and Townley, 1996). A good example of such conceptual model testing is the study of the Death Valley regional groundwater flow system in the southwestern USA (DAgnese et al., 1997, 1999). During the study, based on inverse modeling analysis, the conceptual model evolved with an increase in the number and significant change in the location of zones of hydraulic conductivity. The increase in size and resolution of continuum model domains makes it increasingly difficult and time-consuming to test different configurations of model zonation as well as parameter values assigned to different zones. Nevertheless, recent developments integrating the testing of conceptual model structure into an inverse modeling approach seem quite promising. In particular, Tsai et al. (2003a,b) describe a combinatory optimization scheme using a genetic algorithm and Voronoi tesselation for parameter structure identification, in 2D and 3D inverse models. Likewise, Doherty (2003) presents a method of pilot points and regularization, integrated into the inverse code PEST,

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which allows the characterization of spatial properties as well as estimation of parameter values. The incorporation of model structure estimation into the inverse problem can help overcome another difficulty in groundwater flow modeling that of overparameterization. Overparameterization occurs where not enough observations are available to constrain the property values of interest, or where unrealistic parameter values are estimated (Doherty, 2003). A related difficulty commonly encountered is that of parameter correlation such that hydraulic conductivity and recharge, for example, cannot be independently estimated. Hill and Osterby (2003) have recently proposed a new method: singular value decomposition, to detect extreme parameter correlation. 4.2. Geostatistical formulation In a geostatistical formulation, if a discrete fracture network conceptualization is used, it is considered impossible to collect enough field data to completely characterize the locations, orientations, extents and transmissivities of the discrete fractures. Therefore, fracture geometric properties and parameters of the flow model are considered to be random variables whose probability density functions are estimated from field data (Hsieh, 1998). Likewise, for a continuum conceptualization, the variation of the hydraulic conductivity in the subsurface is generally considered to be a random variable from a multivariate Gaussian distribution. Its statistical properties are described by a semivariogram fitted to field data. Realizations of synthetic fracture networks or images of hydraulic conductivity fields with these properties are then taken to be statistically equivalent to the actual fractured or heterogeneous domain. In such classical stochastic methods (e.g., Gelhar, 1993; de Marsily et al., 1998), hydraulic properties are considered stationary random variables; in other words, the mean is constant, and variability is independent of spatial location (Myers, 1989; Isaaks and Srivastava, 1989). Furthermore, the ergodic hypothesis, i.e. the ensemble average is statistically equivalent to the spatial average of a variable in one realization, is assumed to hold (Dagan, 1997). Such a classical stochastic approach has not been as widely used as it might be, perhaps due to the apparent non-stationarity of porous media at most scales (Anderson, 1997). In addition, the validity of the ergodic hypothesis has been questioned for highly heterogeneous media (Sposito, 1997; Zhan, 1999). These difficulties with this geostatistical formulation result from the reliance on ensemble moments

described by Neuman (1997) as, btheoretical artifacts of a convenient mathematical frameworkQ that, while useful, requires a leap of faith to accept. It is most often applied in settings where field data are considered too limited for a deterministic zonal model to be appropriate, such as extremely large-scale or deep heterogeneous environments. In practice, sequential stochastic simulation is often used to reproduce images of geological heterogeneity by means of equiprobable realizations that honor a semivariogram describing spatial covariance of the field data (Deutsch and Journel, 1997). A widely used version of this process is sequential Gaussian simulation, in which the simulated values are drawn from Gaussian (spatially periodic) distributions with parameters based on a kriged solution. However, sequential Gaussian simulation has the drawback of relying on the assumption of multi-variate Gaussianity. This leads to maximum entropy realizations in which the extreme values are highly disconnected, unlike observations of common geologic structures (Gomez-Hernandez and Wen, 1994), with obvious implications for effective hydraulic conductivity and transport. Conditioning or constraining simulations, such that interconnectedness inferred from field data is incorporated into simulations, can improve the representation of and flow simulation in realistic geologic structures. Another common variety of such modeling is sequential indicator simulation, which allows for better representation of discrete heterogeneity. In this case, the stochastic process of hydraulic conductivity distribution is transformed to a step function defined by thresholds of categorical variables (Deutsch and Journel, 1997). Sequential indicator simulation can also be conditioned to field data and it does not assume statistical homogeneity, unlike sequential Gaussian simulation. A Monte Carlo approach in sequential indicator simulation is generally used, in which flow and/or transport is simulated through large numbers of equiprobable hydraulic conductivity fields (Ritzi et al., 1994, 2000; Pohlmann et al., 2000), generated from the semivariograms fitted to available field data. Statistical analysis of the results provides some confidence that the range of possible outcomes of such modeling has been adequately captured. 4.3. Mixed formulations The idea of architectural elements in sedimentary lithofacies, popularized by Miall (1985), Miall and Tyler (1991) for fluvial strata and introduced to hydrogeologists by Anderson (1989), has been very influen-

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tial in conceptualizing heterogeneity in aquifer systems, particularly in unlithified sediments. The architectural elements approach allows the building of a framework, based on depositional environments and geological processes, to describe the geometry of large-scale heterogeneity. This framework specifies the spatial position of bounding surfaces for architectural elements, usually deterministically or based on log or outcrop studies. The smaller-scale variation of hydraulic properties within such architectural elements can be specified deterministically or with a geostatistical formulation. To date, the most common application of this approach has been for unlithified aquifers (Scheibe and Freyberg, 1995; Heinz et al., 2003; Lunt et al., 2004), but similar techniques have been applied to indurated sedimentary aquifers and reservoirs (Fisher et al., 1998; Willis and White, 2000; Trevena et al., 2003). Related work has relied more heavily on geostatistical formulations to specify the boundaries of geologic features using petrophysical criteria (Rossini et al., 1994; Rovellini et al., 1998). Others have specified the location and geometries of architectural elements using object-based processes (Anderson et al., 1999; Moreton et al., 2002; Tye, 2004; McKenna and Smith, 2004). Genesis methods have also been described to represent deposition of alluvial materials of different geometries (Lancaster and Bras, 2002; Teles et al., 2004), that would be suited to simulation of flow through these deposits. A combined structure-imitating, geostatistical and geophysical imaging approach was used to reconstruct the spatial structure of hydraulic properties in a channel bend deposit (Cardenas and Zlotnik, 2003). These methods seem particularly promising to describe the geological heterogeneity in indurated aquifer and reservoir systems, particularly if diagenetic processes can be incorporated. However, none of them has apparently yet been applied to indurated aquifers. An important advance has been the formulation of transition probability-based indicator geostatistics (Carle and Fogg, 1996; Carle et al., 1998). The basis for this approach is the use of multidimensional Markov chains to represent the variability of sedimentary structures (Carle and Fogg, 1997). This method allows the incorporation of easily observable geological information, such as asymmetry, proportion, mean length and juxtaposition of lithofacies into an indicator geostatistical framework for characterizing heterogeneity. It has already been used to simulate unlithified deposits for a flow model in alluvial fans (Weissmann and Fogg, 1999; Weissmann et al., 2004) and buried valley aquifers (Ritzi, 2000; Ritzi et al., 2000, 2003). However,

there is no obstacle in principle to its use for characterizing heterogeneity and distributing hydraulic properties for flow simulation in sedimentary bedrock aquifers. The necessary geologic observations can be made in indurated formations, as described in the following papers in this special issue. 5. New developments in flow simulation in geologically heterogeneous settings Recent developments in incorporating geological heterogeneity in flow simulation can be categorized as either theoretical advances or notable studies and flow modeling applications. The former have mainly occurred in the development of new geostatistical approaches that illustrate and begin to overcome some of the limitations of classical stochastic methods described above. The latter consists of selected recent studies addressing aspects of geological heterogeneity, and notable flow modeling applications that employ codes designed for equivalent porous media (EPM) simulation in new ways. These modeling applications, in conjunction with increased computer-processing capability, open new directions in representing geological heterogeneity in sedimentary aquifers. 5.1. Theoretical advances in geostatistical approaches Neuman and di Federico (1998) and Neuman (2003) have noted that the constant-sill semivariogram models used to infer statistical homogeneity may in fact be an artifact of an infinite hierarchy of mutually uncorrelated homogeneous fields at increasing scales. It has been suggested that heterogeneity in geologic media is actually characterized by evolving scales (Cushman, 1997), and new methods for stochastic simulation of such heterogeneous property fields have been proposed (Rubin and Bellin, 1998). A particular case of evolving heterogeneity is that of fractal scaling, in which the correlation structure can be described by a power law (Neuman, 1994; Molz et al., 2004). These approaches overcome the limitations of classical multi-Gaussian geostatistical methods, but remain challenging to put into practice. They are nevertheless exciting new developments that may provide more realistic frameworks to characterize geological heterogeneity for the purpose of flow simulation. In response to the limitations of classical geostatistical methods as outlined earlier, recent work has addressed the problem of flow in highly heterogeneous media where the assumption of stationarity does not hold. An example of non-stationary flow and solute

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flux due to multi-scale geological heterogeneity and complex boundary conditions was given by Wu et al. (2003) (Fig. 5). It is likely that such non-stationary flow conditions are the rule in highly heterogeneous sedimentary bedrock aquifers, as has been illustrated in unlithified materials (Heinz et al., 2003). Efforts to quantify flow through such settings have employed analytical non-stationary spectral methods (using Fourier transforms) (e.g., Lu and Zhang, 2002a, Li et al., 2004). Composite media approaches, in which different heterogeneous structures of contrasting hydraulic properties, such as inclusions of different shapes, have also been used to quantify flow numerically (Winter and Tartakovsky, 2002; Winter et al., 2002; Dagan et al., 2003). These numerical methods can also be used to solve for flow in multi-modal structures of heterogeneous porous media, in which the first two statistical moments are not adequate to characterize properties (Lu and Zhang, 2002b). As these methods become more widely understood, and implemented in readily available modeling codes, their application will allow a geostatistical approach to even the most heterogeneous flow systems, a significant advance. 5.2. Recent studies of heterogeneity and notable flow modeling applications Characterizing heterogeneity and simulating flow in fractured sedimentary bedrock aquifers is particularly

challenging, and some new developments are highlighted here. A facies analysis approach in carbonate settings has usually focused on how texture controls hydraulic properties (Rovey and Cherkauer, 1994; Hovorka et al., 1998; Schulze-Makuch and Cherkauer, 1998). While recognizing that properties of the rock matrix determined by lithofacies are certainly relevant, particularly in recent carbonates (Budd and Vacher, 2004), other workers have focused on heterogeneity caused by fracturing. In relatively undeformed rocks, bedding-plane fractures have been found to constitute particularly important flowpaths (Novakowski and Lapcevic, 1988; Yager, 1997; Michalski and Britton, 1997). Building on detailed stratigraphic work on the Silurian carbonate aquifer in Wisconsin, USA, Muldoon et al. (2001) have identified and correlated such planar high permeability zones at scales of up to 16 km. While pumping test data indicated that the aquifer responds as an equivalent porous medium at large (1001000 m) scales, a conceptual model was developed in which horizontal flow and hydraulic conductivity were almost entirely due to bedding plane fractures. The hydrostratigraphic conceptual model was then incorporated into a groundwater flow simulation using thin, high-permeability layers in an equivalent porous medium model (Rayne et al., 2001). This novel approach was needed to account for the highly transient nature of recharge and well water fluctuations in the aquifer, and to delineate capture zones for municipal wells. A similar ap-

Fig. 5. Simulation of flow in a representative cross section at Yucca Mountain, showing flow lines in an extremely heterogeneous aquifer in which the hydraulic conductivity distribution is non-stationary (from Wu et al., 2003). Reprinted with permission from Elsevier.

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proach has been used by Swanson et al. (2006this issue) to simulate springflow from a sandstone aquifer. In a numerical flow modeling study of an exhumed fractured sandstone reservoir (Aztec Sandstone) in Nevada, USA, Taylor et al. (1999) examined the distribution of fluid flow between a joint set and the rock matrix. The objective was to identify the proportion of joints that would have conducted flow in the past, and understand the pattern of chemical alteration and fracture mineralization on the now exposed rock. Of interest here is the implication that fracture heterogeneity, not normally considered in flow simulation in sandstone bedrock sequences, can be a major control on flow. Taylor et al. (1999) represented fractures as linear features with a range of lengths embedded in an equivalent porous medium using a finite-element numerical simulation. Their results showed that depending on the hydraulic conductivity contrast between fractures and rock matrix, flow was either dominated by indirect connections between fractures (low contrast) or dominated by flow in the interconnected fracture network (high contrast) (Fig. 6). They concluded based on the field observations of chemical alteration and joint mineralization that the actual joint permeability must have been ~5 orders of magnitude greater than that of the rock matrix (Taylor et al., 1999). An extension of this study (Eichhubl et al., 2004) has examined mixing between basinal fluids and meteoric water through

regional and outcrop-scale fluid migration pathways, demonstrating the importance of focusing flow by such structural heterogeneity in these typical shoreline facies. Many other types of geological heterogeneity have been recognized to control flow in the subsurface, and only a few more recent examples will be given here. In a study on the same Aztec Sandstone described above, Sternlof et al. (2004) describe the hydraulic properties of deformation bands: zones resulting from shear and compaction associated with stresses that cause faulting (Main et al., 2000). Three different types of deformation bands were found to have hydraulic conductivity up to two orders of magnitude lower than undeformed rock (Sternlof et al., 2004). Such contrasts are equivalent to those normally used by hydrogeologists to distinguish aquitards from aquifers, and failure to recognize such features for purposes of flow simulation could cause significant error. Various types of diagenetic processes that control hydraulic properties down to the bed-scale, such as texture- and grain-size control of porosity and cementation in sandstones (Milliken, 2001) have been described. Davis et al. (2006this issue) discuss the effect of carbonate cementation on fluvial aquifer heterogeneity. On a larger scale, dolomitization processes, and burial/compaction leading to fracturing have long been understood as a principal determinant of carbonate reservoir properties. However, Westphal et al. (2004) have recently presented a case where hydrothermal brecciation as well as dolomitization and calcite cementation are responsible for reservoir heterogeneity in the Wind River Basin, Wyoming. Finally, increasing attention is being paid to biological processes that can be responsible for geological heterogeneity and ultimately influence weathering and erosion. In a recent study, Gingras et al. (2004) analyzed the effect of worm burrows in creating a dual-permeability system, demonstrating tortuous flow paths in an Ordovician limestone. 6. Revisiting the concept of hydrofacies It is clear from the trends in understanding and simulating flow through heterogeneous geologic media that it is more important than ever to incorporate major aspects of the structure of the flow domain into numerical simulation models. These may be interconnected high permeability features such as fractures, or carbonate dissolution channels, or sand stringers in unlithified or indurated sands. From another perspective, the spatial distribution of low-permeability structural or diagenetic features, such as faults, breccia or deformation bands,

Fig. 6. Partitioning of paleoflow between joints and rock matrix as a function of the contrast in hydraulic conductivity, inferred from chemical alteration of fractures in a sandstone aquifer (from Taylor et al., 1999). Copyright 1999 American Geophysical Union. Reproduced by permission of American Geophysical Union.

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can channel flow. In any event, in such heterogeneous aquifers, higher conductivity networks are formed which have a dominant influence on flow and transport that must be reflected in the model. The paradigm of such interconnected networks has long been advanced by Fogg and others in unlithified settings (Fogg, 1986; Fogg et al., 2000) as well as in low-permeability environments (Fogg, 1990). Fractured media represent a clear example where such networks are critical to flow, but any type of structure in a heterogeneous medium can form interconnected networks that control flow. This idea has been associated with the concept of hydrofacies since the work of Poeter and Gaylord (1990), building on the work of Anderson (1989), who defined hydro (geologic) facies as bhomogeneous but anisotropic unit(s) that (are) hydrogeologically meaningfulQ. With more widespread interest in the control of groundwater flow and transport by geological heterogeneity, advances are needed in incorporating heterogeneous structure in simulation models to reproduce actual flow observations. Therefore, an operational broadening of the concept of hydrofacies is suggested here. Hydrofacies is fundamentally a hydrogeologic concept, yet it is commonly applied as a label to units that have already been delineated using geologic (usually lithofacies) criteria. To accommodate variations in hydraulic properties due to non-lithofacies structure (for example fractures or diagenetic variations in bedrock), an expanded definition of hydrofacies with reference to the representative elementary volume is proposed (Eaton, 2002). Specifically, hydrofacies can be regarded as scale-dependent hydrogeologic units with a particular representative elementary volume (REV) or structure of a specific size and shape. From a flow modeling perspective, hydrofacies are only hydrogeologically meaningful if the model incorporates the structure of the heterogeneity that constitutes the hydrofacies, whatever the geologic origin of that heterogeneity. So, for instance, in an equivalent porous medium flow model, the grid cell size (REV) must be small enough to resolve this hydrofacies structure, otherwise the simulation results will not be accurate. Unfractured and fractured zones, or zones of different diagenetic alteration in the same lithofacies, could be considered two different hydrofacies. For example, Lo w et al. (1994) identified units of similar hydrogeologic properties in fractured rock called bHydrogeologic unitsQ that would constitute hydrofacies in this view. In a discrete fracture model, the major fracture interconnections that make up the geological heterogeneity must be adequately represented in the model for the flow simulation to be accurate. In

such cases, the fracture network backbone itself (not all the fractures) becomes the hydrofacies. The major advantages of such an expansion of the concept of hydrofacies is that it allows the description of heterogeneous flow domains that are not limited to unlithified materials (as has been mostly the case up to now), incorporates many other sources of geological heterogeneity that control flow in indurated rocks, and imposes a simulation-based constraint on hydrogeologic characterization. In other words, the delineation and representation of hydrofacies are adequate if the resulting numerical model results in an error smaller than some acceptable level with respect to field data. Identification and explicit representation of the structure represented by different hydrofacies, using an adequate discretization, becomes an important part of the process of constructing numerical flow models. It is hoped that such an operational broadening of the concept of hydrofacies will be helpful to workers characterizing the geologic controls on flow in heterogeneous aquifer systems and hydrocarbon reservoirs. 7. Summary and conclusion A perspective on the current status of integrating geological heterogeneity into numerical simulations of flow is presented. A review of basic concepts behind such flow simulation describes equivalent porous medium and discrete fractured network paradigms, as well as zonal, geostatistical and mixed formulations. Recent developments in incorporating geological heterogeneity in flow simulation have included theoretical advances in geostatistical approaches and novel applications of well-known equivalent porous media approaches to illustrate preferential flow. Two such applications are described at some length, and some other recent examples are reviewed of publications on geological heterogeneity as it affects flow. A common framework would be useful in considering how to incorporate geological heterogeneity of all kinds into flow models. Therefore, the concept of hydrofacies, which has generally been associated with lithofacies, is revisited. Hydrofacies, or units defined by unlithified materials with different hydraulic properties, have long been used by hydrogeologists in constructing flow models. A new interpretation is suggested which encourages the idea of applying hydrofacies to indurated as well as unlithified aquifers. Such an operational broadening incorporates a larger range of geological mechanisms that determine variations in hydraulic properties, and links hydrofacies to a minimum resolution of detail that is needed to accurately simulate flow

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T.T. Eaton / Sedimentary Geology 184 (2006) 187201 Budd, D.A., Vacher, H.L., 2004. Matrix permeability of the confined Floridan Aquifer, Florida, USA. Hydrogeology Journal 12 (5), 531 549. Cacas, M.C., Ledoux, E., de Marsily, G., Tillie, B., Barbreau, A., Durand, E., Feuga, B., Peaudecerf, P., 1990. Modeling fracture flow with a stochastic discrete fracture network: calibration and validation: 1. The flow model. Water Resources Research 26 (3), 479 489. Cacas, M.C., Ledoux, E., de Marsily, G., Barbreau, A., Calmels, P., Gaillard, B., Margritta, R., 1990. Modeling fracture flow with a stochastic discrete fracture network: calibration and validation: 2. The transport model. Water Resources Research 26 (3), 491 500. Cardenas, M.B., Zlotnik, V.A., 2003. Three-dimensional model of modern channel bend deposits. Water Resources Research 39 (6). doi:10.1029/2002WR001383. Carle, S.F., Fogg, G.E., 1996. Transition probability-based indicator geostatistics. Mathematical Geology 28 (4), 453 476. Carle, S.F., Fogg, G.E., 1997. Modeling spatial variability with one and multidimensional continuous-lag Markov chains. Mathematical Geology 29 (7), 891 918. Carle, S.F., Labolle, E.M., Weissmann, G.S., Van Brocklin, D., Fogg, G.E., 1998. Conditional simulation of hydrofacies architecture: a transition probability/Markov approach. In: Fraser, G.S., Davis, J.M. (Eds.), Hydrogeologic Models of Sedimentary Aquifers, Concepts in Hydrogeology and Environmental Geology, vol. 1. Society for Sedimentary Geology, Tulsa, OK. Cherry, J.A., Bradbury, K.R., Eaton, T.T., Gotkowitz, M.G., Hart, D.J., Parker, B.L., Borchardt. M.A., in press. Contaminant Transport Through Aquitards: A bState of the ScienceQ Review, American Water Works Association Research Foundation (AWWARF) Report, 144 p. Cooley, R.L., 2004. A Theory for Modeling Ground-Water Flow in Heterogeneous Media. U.S.G.S. Professional Paper, vol. P 1679. U.S. Geological Survey, Denver, CO. 220 pp. Cushman, J.H., 1997. The Physics of Fluids in Hierarchical Porous Media: Angstroms to Miles. Springer, Heidelberg. 484 pp. Davis, et al., 2006this issue. The effect of carbonate cementation on permeability heterogeneity in fluvial aquifers: an outcrop analog study. Sedimentary Geology 184, 267280. doi:10.1016/ j.sedgeo.2005.11.005. Dagan, G., 1997. Stochastic modeling of flow and transport: the broad perspective. In: Dagan, G., Neuman, S. (Eds.), Subsurface Flow and Transport: A Stochastic Approach, International Hydrology Series. Cambridge University Press, Cambridge, MA, pp. 3 20. Dagan, G., Fiori, A., Jankovic, I., 2003. Flow and transport in highly heterogeneous formations: 1. Conceptual framework and validity of first-order approximations. Water Resources Research 39 (9). doi:10.1029/2002WR001717 (Art. No. 1268). DAgnese, F.A., Faunt, C.C., Turner, A.K., Hill, M.C., 1997. Hydrogeologic Evaluation and Numerical Simulation of the Death Valley Regional Ground-Water Flow System, Nevada and California. U.S.G.S. Water-Resources Investigations Report 96-4300. U.S. Geological Survey, Denver, CO. 124 pp. DAgnese, F.A., Faunt, C.C., Hill, M.C., Turner, A.K., 1999. Death Valley regional ground-water flow model calibration using optimal parameter estimation methods and geoscientific information systems. Advances in Water Resources 22 (8), 777 790. Darcy, H., 1856. Les fontaines publiques de la ville de Dijon. Victor Dalmont, Paris. de Marsily, G., Delay, F., Teles, V., Schafmeister, M.T., 1998. Some current methods to represent the heterogeneity of natural media in hydrogeology. Hydrogeology Journal 6 (1), 115 130.

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