Variable-density groundwater flow and solute transport in porous media containing nonuniform discrete fractures

Variations in fluid density can greatly affect fluid flow and solute transport in the subsurface. Heterogeneities such as fractures play a major role for the migration of variable-density fluids. Earlier modeling studies of density effects in fractured media were restricted to orthogonal fracture networks, consisting of only vertical and horizontal fractures. The present study addresses the phenomenon of 3D variable-density flow and transport in fractured porous media, where fractures of an arbitrary incline can occur. A general formulation of the body force vector is derived, which accounts for variable-density flow and transport in fractures of any orientation. Simulation results are presented that show the verification of the new model formulation, for the porous matrix and for inclined fractures. Simulations of variable-density flow and solute transport are then conducted for a single fracture, embedded in a porous matrix. The simulations show that density-driven flow in the fracture causes convective flow within the porous matrix and that the high-permeability fracture acts as a barrier for convection. Other simulations were run to investigate the influence of fracture incline on plume migration. Finally, tabular data of the tracer breakthrough curve in the inclined fracture is given to facilitate the verification of other codes.     

Variable-density groundwater flow and solute transport in irregular 2D fracture networks

Numerical simulations of variable-density flow and solute transport have been conducted to investigate dense plume migration for various configurations of 2D fracture networks. For orthogonal fractures, simulations demonstrate that dispersive mixing in fractures with small aperture does not stabilize vertical plume migration in fractures with large aperture. Simulations in non-orthogonal 2D fracture networks indicate that convection cells form and that they overlap both the porous matrix and fractures. Thus, transport rates in convection cells depend on matrix and fracture flow properties. A series of simulations in statistically equivalent networks of fractures with irregular orientation show that the migration of a dense plume is highly sensitive to the geometry of the network. If fractures in a random network are connected equidistantly to the solute source, few equidistantly distributed fractures favor density-driven transport. On the other hand, numerous fractures have a stabilizing effect, especially if diffusive transport rates are high. A sensitivity analysis for a network with few equidistantly distributed fractures shows that low fracture aperture, low matrix permeability and high matrix porosity impede density-driven transport because these parameters reduce groundwater flow velocities in both the matrix and the fractures. Enhanced molecular diffusion slows down density-driven transport because it favors solute diffusion from the fractures into the low-permeability porous matrix where groundwater velocities are smaller. For the configurations tested, variable-density flow and solute transport are most sensitive to the permeability and porosity of the matrix, which are properties that can be determined more accurately than the geometry and hydraulic properties of the fracture network, which have a smaller impact on density-driven transport.     

Testing density-dependent groundwater models: two-dimensional steady state unstable convection in infinite,finite and inclined porous layers

This study proposes the use of several problems of unstable steady state convection with variable fluid density in a porous layer of infinite horizontal extent as two-dimensional (2-D) test cases for density-dependent groundwater flow and solute transport simulators. Unlike existing density-dependent model benchmarks, these problems have well-defined stability criteria that are determined analytically. These analytical stability indicators can be compared with numerical model results to test the ability of a code to accurately simulate buoyancy driven flow and diffusion. The basic analytical solution is for a horizontally infinite fluid-filled porous layer in which fluid density decreases with depth. The proposed test problems include unstable convection in an infinite horizontal box, in a finite horizontal box, and in an infinite inclined box. A dimensionless Rayleigh number incorporating properties of the fluid and the porous media determines the stability of the layer in each case. Testing the ability of numerical codes to match both the critical Rayleigh number at which convection occurs and the wavelength of convection cells is an addition to the benchmark problems currently in use. The proposed test problems are modelled in 2-D using the SUTRA [SUTRA––A model for saturated–unsaturated variable-density ground-water flow with solute or energy transport. US Geological Survey Water-Resources Investigations Report, 02-4231, 2002. 250 p] density-dependent groundwater flow and solute transport code. For the case of an infinite horizontal box, SUTRA results show a distinct change from stable to unstable behaviour around the theoretical critical Rayleigh number of 4π² and the simulated wavelength of unstable convection agrees with that predicted by the analytical solution. The effects of finite layer aspect ratio and inclination on stability indicators are also tested and numerical results are in excellent agreement with theoretical stability criteria and with numerical results previously reported in traditional fluid mechanics literature.     

Grid convergence of variable-density flow simulations in discretely-fractured porous media

Grid convergence in space and time of variable-density flow in fractured-porous rock is systematically assessed. Convergence of the flow simulation is attained using both uniform and adaptive time-stepping. This contrasts to variable-density flow in unfractured porous media where grid convergence variable-density flow problems is almost never achieved. At high discretization levels, the number of fingers in fractured-porous rock is no longer influenced by spatial-temporal grid discretization, which is not the case in unfractured porous media. However, similar to unfractured porous media, the number of fingers in fractured-porous media varies at low discretization levels. Simulated convective pattern and penetration depth of the dense plume in fractured rock depend more on spatial discretization than on temporal discretization. The appropriate spatial-temporal grid is then used to examine some aspects of mixed convection in fractured-porous rock, characterized by the mixed convection number M. The critical mixed convection number M_c = 46 represents the transition between forced and free convection in fractured porous media, which is much higher than M_c = 1 in unfractured porous media. Thus, for mixed convective flow problems, the value of M_c is not a sufficient indicator to predict the convective mode (free convection-forced convection), and the presence of vertical fractures must be included in the prediction of convective flow modes.     

Shear dispersion in a fracture with porous walls

We present an analytical expression for the shear dispersion during solute transport in a coupled fracture–matrix system. The dispersion coefficient is obtained in a fracture with porous walls by taking into account an accurate boundary condition at the interface between the matrix and fracture, and the results were compared with those in a non-coupled system. The analysis presented identifies three regimes: diffusion-dominated, transition, and advection-dominated. The results showed that it is important to consider the exchange of solute between the fracture and matrix in development of the shear dispersion coefficient for the transition and advection-dominated regimes. The new dispersion coefficient is obtained by imposing the continuity of concentrations and mass fluxes along the porous walls. The resulting equivalent transport equation revealed that the effective velocity in a fracture increases while the dispersion coefficient decreases due to mass transfer between the matrix and fracture. A larger effective advection term leads to greater storage of mass in the matrix as compared with the classical double-porosity model with a non-coupled dispersion coefficient. The findings of this study can be used for modeling of tracer tests as well as fate, transport, and remediation of groundwater contaminants in fractured rocks.     

Eulerian spatial moments for solute transport in three-dimensional heterogeneous,dual-permeability media

A Eulerian analytical method is developed for nonreactive solute transport in heterogeneous, dual-permeability media where the hydraulic conductivities in fracture and matrix domains are both assumed to be stochastic processes. The analytical solution for the mean concentration is given explicitly in Fourier and Laplace transforms. Instead of using the fast fourier transform method to numerically invert the solution to real space (Hu et al., 2002), we apply the general relationship between spatial moments and concentration (Naff, 1990; Hu et al., 1997) to obtain the analytical solutions for the spatial moments up to the second for a pulse input of the solute. Owing to its accuracy and efficiency, the analytical method can be used to check the semi-analytical and Monte Carlo numerical methods before they are applied to more complicated studies. The analytical method can be also used during screening studies to identify the most significant transport parameters for further analysis. In this study, the analytical results have been compared with those obtained from the semi-analytical method (Hu et al., 2002) and the comparison shows that the semi-analytical method is robust. It is clearly shown from the analytical solution that the three factors, local dispersion, conductivity variation in each domain and velocity convection flow difference in the two domains, play different roles on the solute plume spreading in longitudinal and transverse directions. The calculation results also indicate that when the log-conductivity variance in matrix is 10 times less than its counterpart in fractures, it will hardly influence the solute transport, whether the conductivity field is matrix is treated as a homogeneous or random field.     

MODFLOW/MT3DMS-based simulation of variable-density ground water flow and transport

This paper presents an approach for coupling MODFLOW and MT3DMS for the simulation of variable-density ground water flow. MODFLOW routines were modified to solve a variable-density form of the ground water flow equation in which the density terms are calculated using an equation of state and the simulated MT3DMS solute concentrations. Changes to the MODFLOW and MT3DMS input files were kept to a minimum, and thus existing data files and data files created with most pre- and postprocessors can be used directly with the SEAWAT code. The approach was tested by simulating the Henry problem and two of the saltpool laboratory experiments (low- and high-density cases). For the Henry problem, the simulated results compared well with the steady-state semianalytic solution and also the transient isochlor movement as simulated by a finite-element model. For the saltpool problem, the simulated breakthrough curves compared better with the laboratory measurements for the low-density case than for the high-density case but showed good agreement with the measured salinity isosurfaces for both cases. Results from the test cases presented here indicate that the MODFLOW/MT3DMS approach provides accurate solutions for problems involving variable-density ground water flow and solute transport.     

Variable-density flow and transport in porous media: approaches and challenges

We review the state of the art in modeling of variable-density flow and transport in porous media, including conceptual models for convection systems, governing balance equations, phenomenological laws, constitutive relations for fluid density and viscosity, and numerical methods for solving the resulting nonlinear multifield problems. The discussion of numerical methods addresses strategies for solving the coupled spatio-temporal convection process, consistent velocity approximation, and error-based mesh adaptation techniques. As numerical models for those nonlinear systems must be carefully verified in appropriate tests, we discuss weaknesses and inconsistencies of current model-verification methods as well as benchmark solutions. We give examples of field-related applications to illustrate specific challenges of further research, where heterogeneities and large scales are important.     

Transport of variable-density solute plumes in beach aquifers in response to oceanic forcing

A comprehensive numerical study was undertaken to investigate transport of a variable-density, conservative solute plume in an unconfined coastal aquifer subject to high and low frequency oceanic forcing. The model combined variable-density saturated flow for groundwater and solute transport, and wave hydrodynamics from a 2D Navier–Stokes solver. A sinusoidal tidal signal was specified by implementing time-varying heads at the seaward boundary. The solute plume behavior was investigated under different oceanic forcing conditions: no forcing, waves, tide, and combined waves and tide. For each forcing condition, four different injected solute densities (freshwater, brackish water, seawater, brine) were used to investigate the effects of density on the transport of the injected plume beneath and across the beach face. The plume’s low-order spatial moments were computed, viz., mass, centroid, variance and aspect ratio. The results confirmed that both tide- and wave-forcing produce an upper saline plume beneath the beach face in addition to the classical saltwater wedge. For the no-forcing and tide-only cases (during rising tides), an additional small circulation cell below the beach face was observed. Oceanic forcing affects strongly the solute plume’s flow path, residence time and discharge rate across the beach face, as well as its spreading. For the same oceanic forcing, solute plumes with different densities follow different trajectories from the source to the discharge location (beach face). The residence time and plume spreading increased with plume density. It was concluded that simulations that neglect the effect of waves or tides cannot reproduce accurately solute plume dispersion and also, in the case of coasts with small waves or tides, the solute residence time in the aquifer.     

Evidence of free convection in groundwater: Field-based measurements beneath wind-tidal flats

Free convection caused by salinity differences had not been conclusively detected or measured in the field. A field experiment at wind-tidal flats on Padre Island National Seashore, Texas, documents salinity-driven free convection with both direct (head and salinity data) and indirect (time-lapse 3-D resistivity) methods. Evaporative concentration of groundwater near the water table created unstable inverted density gradients, reduced groundwater levels, and reversed hydraulic gradients. These factors allowed plumes or fingers of more saline, denser fluid to flow downward into less-dense fluid as observed in monitoring wells and 3-D surveys. The development of density inversions can overcome the dissipating forces of dispersion and diffusion to create a sufficiently large unstable gradient to induce free convection. The development of free convective flow of variable-density fluids in groundwater can be detected and monitored through field techniques.     

Effects of chemical reactions on density-dependent fluid flow: on the numerical formulation and the development of instabilities

A three-dimensional, reactive numerical flow model is developed that couples chemical reactions with density-dependent mass transport and fluid flow. The model includes equilibrium reactions for the aqueous species, kinetic reactions between the solid and aqueous phases, and full coupling of porosity and permeability changes that result from precipitation and dissolution reactions in porous media. A one-step, global implicit approach is used to solve the coupled flow, transport and reaction equations with a fully implicit upstream-weighted control volume discretization. The Newton–Raphson method is applied to the discretized non-linear equations and a block ILU-preconditioned CGSTAB method is used to solve the resulting Jacobian matrix equations. This approach permits the solution of the complete set of governing equations for both concentration and pressure simultaneously affected by chemical and physical processes. A series of chemical transport simulations are conducted to investigate coupled processes of reactive chemical transport and density-dependent flow and their subsequent impact on the development of preferential flow paths in porous media. The coupled effects of the processes driving flow and the chemical reactions occurring during solute transport is studied using a carbonate system in fully saturated porous media. Results demonstrate that instability development is sensitive to the initial perturbation caused by density differences between the solute plume and the ambient groundwater. If the initial perturbation is large, then it acts as a “trigger” in the flow system that causes instabilities to develop in a planar reaction front. When permeability changes occur due to dissolution reactions occurring in the porous media, a reactive feedback loop is created by calcite dissolution and the mixed convective transport of the system. Although the feedback loop does not have a significant impact on plume shape, complex concentration distributions develop as a result of the instabilities generated in the flow system.     

Solute and Heat Transport Model of the Henry and Hilleke Laboratory Experiment

SEAWAT is a coupled version of MODFLOW and MT3DMS designed to simulate variable-density ground water flow and solute transport. The most recent version of SEAWAT, called SEAWAT Version 4, includes new capabilities to represent simultaneous multispecies solute and heat transport. To test the new features in SEAWAT, the laboratory experiment of Henry and Hilleke (1972) was simulated. Henry and Hilleke used warm fresh water to recharge a large sand-filled glass tank. A cold salt water boundary was represented on one side. Adjustable heating pads were used to heat the bottom and left sides of the tank. In the laboratory experiment, Henry and Hilleke observed both salt water and fresh water flow systems separated by a narrow transition zone. After minor tuning of several input parameters with a parameter estimation program, results from the SEAWAT simulation show good agreement with the experiment. SEAWAT results suggest that heat loss to the room was more than expected by Henry and Hilleke, and that multiple thermal convection cells are the likely cause of the widened transition zone near the hot end of the tank. Other computer programs with similar capabilities may benefit from benchmark testing with the Henry and Hilleke laboratory experiment.     

A connection between the Lagrangian stochastic–convective and cumulant expansion approaches for describing solute transport in heterogeneous porous media

The equation describing the ensemble-average solute concentration in a heterogeneous porous media can be developed from the Lagrangian (stochastic–convective) approach and from a method that uses a renormalized cumulant expansion. These two approaches are compared for the case of steady flow, and it is shown that they are related. The cumulant expansion approach can be interpreted as a series expansion of the convolution path integral that defines the ensemble-average concentration in the Lagrangian approach. The two methods can be used independently to develop the classical form for the convection–dispersion equation, and are shown to lead to identical transport equations under certain simplifying assumptions. In the development of such transport equations, the cumulant expansion does not require a priori the assumption of any particular distribution for the Lagrangian displacements or velocity field, and does not require one to approximate trajectories with their ensemble-average. In order to obtain a second-order equation, the cumulant expansion method does require truncation of a series, but this truncation is done rationally by the development of a constraint in terms of parameters of the transport field. This constraint is less demanding than requiring that the distribution for the Lagrangian displacements be strictly Gaussian, and it indicates under what velocity field conditions a second-order transport equation is a reasonable approximation.     

Numerical comparison of the equivalent continuum,non-homogeneous and dual porosity models for flow and transport in fractured porous media

The main objective of this work is to compare three different models for modelling of flow and solute transport in fractured porous media, in terms of their predictions of the flow and solute transport field variables. The three models are: the equivalent continuum model, the dual porosity model and the discrete fracture/non-homogeneous model. Though it is clear that the three models are based on different assumptions for their validity, it is not clear in which cases two or all of them would give similar results, since there are no such reported comparisons in the open literature.The three methods are compared for two different geometries: a rectangular porous domain with two parallel fractures and a square porous domain with regular mesh of three parallel fractures and another three fractures perpendicular to the first ones. The results helped to draw some conclusions in respect to the similarity of potentials as well as fluxes for the different methods for each of the two geometries.In this research the boundary element dual reciprocity method–multi domain scheme (BE DRM–MD) has been used and its implementation has been described. This numerical scheme has been used for the first time to solve a dual-porosity model. The scheme showed satisfactory accuracy and high flexibility in preparation of the discrete fracture/non-homogeneous meshes.     

Applicability of the Dual‐Domain Model to Nonaggregated Porous Media

More theoretical analysis is needed to investigate why a dual‐domain model often works better than the classical advection‐dispersion (AD) model in reproducing observed breakthrough curves for relatively homogeneous porous media, which do not contain distinct dual domains. Pore‐scale numerical experiments presented here reveal that hydrodynamics create preferential flow paths that occupy a small part of the domain but where most of the flow takes place. This creates a flow‐dependent configuration, where the total domain consists of a mobile and an immobile domain. Mass transfer limitations may result in nonequilibrium, or significant differences in concentration, between the apparent mobile and immobile zones. When the advection timescale is smaller than the diffusion timescale, the dual‐domain mass transfer (DDMT) model better captures the tailing in the breakthrough curve. Moreover, the model parameters (mobile porosity, mean solute velocity, dispersivity, and mass transfer coefficient) demonstrate nonlinear dependency on mean fluid velocity. The studied case also shows that when the Peclet number, Pe, is large enough, the mobile porosity approaches a constant, and the mass transfer coefficient can be approximated as proportional to mean fluid velocity. Based on detailed analysis at the pore scale, this paper provides a physical explanation why these model parameters vary in certain ways with Pe. In addition, to improve prediction in practical applications, we recommend conducting experiments for parameterization of the DDMT model at a velocity close to that of the relevant field sites, or over a range of velocities that may allow a better parameterization.     

FracKfinder: A MATLAB Toolbox for Computing Three-Dimensional Hydraulic Conductivity Tensors for Fractured Porous Media

Fractures in porous media have been documented extensively. However, they are often omitted from groundwater flow and mass transport models due to a lack of data on fracture hydraulic properties and the computational burden of simulating fractures explicitly in large model domains. We present a MATLAB toolbox, FracKfinder, that automates HydroGeoSphere (HGS), a variably saturated, control volume finite-element model, to simulate an ensemble of discrete fracture network (DFN) flow experiments on a single cubic model mesh containing a stochastically generated fracture network. Because DFN simulations in HGS can simulate flow in both a porous media and a fracture domain, this toolbox computes tensors for both the matrix and fractures of a porous medium. Each model in the ensemble represents a different orientation of the hydraulic gradient, thus minimizing the likelihood that a single hydraulic gradient orientation will dominate the tensor computation. Linear regression on matrices containing the computed three-dimensional hydraulic conductivity (K) values from each rotation of the hydraulic gradient is used to compute the K tensors. This approach shows that the hydraulic behavior of fracture networks can be simulated where fracture hydraulic data are limited. Simulation of a bromide tracer experiment using K tensors computed with FracKfinder in HGS demonstrates good agreement with a previous large-column, laboratory study. The toolbox provides a potential pathway to upscale groundwater flow and mass transport processes in fractured media to larger scales.     

Modeling interaction of fluid and salt in an aquifer/lagoon system

To simulate the dynamic interaction between a saline lagoon and a ground water system, a numerical model for two-dimensional, variable-density, saturated-unsaturated, and coupled flow and solute transport (saltwater intrusion by finite elements and characteristics [SIFEC]) was modified to allow the volume of water and mass of salt in the lagoon to vary with each time step. The modified SIFEC allows the stage of a lagoon to vary in accordance with a functional relation between the stage and water volume of the lagoon, and also allows the salt concentration of the lagoon to vary in accordance with the salt budget of the lagoon including chemical precipitation and dissolution of salt. The updated stage and salt concentration of the lagoon are in turn used as transient boundary conditions for the coupled flow and solute transport model. The utility of the modified model was demonstrated by applying it to the eastern Mediterranean coastal region of Turkey for assessing impacts of climate change on the subsurface environment under scenarios of sea level rise, increased evaporation, and decreased precipitation.     

Experimental and numerical study of the validity of Hele–Shaw cell as analogue model for variable-density flow in homogeneous porous media

Several laboratory experiments were conducted to identify the validity domain under which a Hele–Shaw cell may serve as a suitable analogue for variable-density flow in homogeneous porous media. These experiments are concerned with the injection into a Hele–Shaw cell of a salt solute at different concentrations and flow rates. The experimental data analysis highlighted two types of mixing zone shape: with and without ‘fingers’. A semi-empirical criterion based on the ratio between gravitational and injected velocities was used to forecast the change from one shape to another. The experimental data were then analysed using numerical solutions of the classical Hele–Shaw equations by taking into account an anisotropic dispersion tensor whose components depend on fluid density gradients. The good agreement between experimental and numerical results clearly shows that the validity of the concentration-dependent dispersion tensor strongly depends on the local Péclet number variation. For Péclet numbers lower 50, the Hele–Shaw cell can be considered as an analogous model of a homogeneous and isotropic 2D porous medium. It can be successfully used to study, at the laboratory scale, the gravitational instability effects induced by flow and transport phenomena into a porous medium.     

Simulation of field‐scale water flow and bromide transport in a cracked clay soil

Single domain models may seriously underestimate leaching of nutrients and pesticides to groundwater in clay soils with shrinkage cracks. Various two‐domain models have been developed, either empirical or physically based, which take into account the effects of cracks on water flow and solute transport. This paper presents a model concept that uses the clay shrinkage characteristics to derive crack volume and crack depth under transient field conditions. The concept has been developed to simulate field average behaviour of a field with cracks, rather than flow and transport at a small plot. Water flow and solute transport are described with basic physics, which allow process and scenario analysis. The model concept is part of the more general agrohydrological model SWAP, and is applied to a field experiment on a cracked clay soil, at which water flow and bromide transport were measured during 572 days. A single domain model was not able to mimic the field‐average water flow and solute transport. Incorporation of the crack concept considerably improved the simulation of water content and bromide leaching to the groundwater. Still deviations existed between the measured and simulated bromide concentration profiles. The model did not reproduce the observed bromide retardation in the top layer and the high bromide dispersion resulting from water infiltration at various soil depths. A sensitivity analysis showed that the amounts of bromide leached were especially sensitive to the saturated hydraulic conductivity of the top layer, the solute transfer from the soil matrix to crack water flow and the mean residence time of rapid drainage. The shrinkage characteristic and the soil hydraulic properties of the clay matrix showed a low sensitivity. Copyright © 2000 John Wiley & Sons, Ltd.