A new scheme for numerical modelling of flow and transport processes in 3D fractured porous media

The objective of this work is to develop a new numerical approach for the three-dimensional modelling of flow and transient solute transport in fractured porous media which would provide an accurate and efficient treatment of 3D complex geometries and inhomogeneities. For this reason, and in order to eliminate as much as possible the number of degrees of freedom, the fracture network, fractures and their intersections, are solved with a coupled 2D–1D model while the porous matrix is solved independently with a 3D model. The interaction between both models is accounted for by a coupling iterative technique. In this way it is possible to improve efficiency and reduce CPU usage by avoiding 3D mesh refinements of the fractures. The approach is based on the discrete-fracture model in which the exact geometry and location of each fracture in the network must be provided as an input. The formulation is based on a multidimensional coupling of the boundary element method-multidomain (BEM-MD) scheme for the flow and boundary element dual reciprocity method-multidomain (BE-DRM-MD) scheme for the transport. Accurate results and high efficiency have been obtained and are reported in this paper.     

An efficient numerical model for incompressible two-phase flow in fractured media

Various numerical methods have been used in the literature to simulate single and multiphase flow in fractured media. A promising approach is the use of the discrete-fracture model where the fracture entities in the permeable media are described explicitly in the computational grid. In this work, we present a critical review of the main conventional methods for multiphase flow in fractured media including the finite difference (FD), finite volume (FV), and finite element (FE) methods, that are coupled with the discrete-fracture model. All the conventional methods have inherent limitations in accuracy and applications. The FD method, for example, is restricted to horizontal and vertical fractures. The accuracy of the vertex-centered FV method depends on the size of the matrix gridcells next to the fractures; for an acceptable accuracy the matrix gridcells next to the fractures should be small. The FE method cannot describe properly the saturation discontinuity at the matrix–fracture interface. In this work, we introduce a new approach that is free from the limitations of the conventional methods. Our proposed approach is applicable in 2D and 3D unstructured griddings with low mesh orientation effect; it captures the saturation discontinuity from the contrast in capillary pressure between the rock matrix and fractures. The matrix–fracture and fracture–fracture fluxes are calculated based on powerful features of the mixed finite element (MFE) method which provides, in addition to the gridcell pressures, the pressures at the gridcell interfaces and can readily model the pressure discontinuities at impermeable faults in a simple way. To reduce the numerical dispersion, we use the discontinuous Galerkin (DG) method to approximate the saturation equation. We take advantage of a hybrid time scheme to alleviate the restrictions on the size of the time step in the fracture network. Several numerical examples in 2D and 3D demonstrate the robustness of the proposed model. Results show the significance of capillary pressure and orders of magnitude increase in computational speed compared to previous works.     

Performance Analysis of the χMD Matrix Solver Package for MODFLOW-USG

The χMD matrix solver package is incorporated into USGS groundwater modeling software, such as MODFLOW-NWT, MODFLOW-USG, and MT3D. The solver is used to solve matrices assembled through numerical discretization of the groundwater flow equation, and solute transport equations. χMD has demonstrated its higher robustness, faster execution speed, and more efficient memory usage compared to the existing solvers for many types of groundwater flow problems. χMD uses preconditioned iterative Krylov-subspace methods and consists of preconditioning and acceleration modules. Because the solver package uses a variety of preconditioning features including level-based incomplete lower-upper (ILU) factorization method with a drop tolerance scheme, users must choose optimal preconditioning parameters to improve execution speed and robustness. In order to examine how the preconditioning parameters, ILU factorization level, and drop tolerance values affect the overall performance of the matrix solver, we evaluated five different groundwater model applications using MODFLOW-USG that include different numerical complexities. For those five cases, the number of discretization nodes varied from 10,000 cells to 730,300 cells. From the analysis, we found that the preconditioning parameters greatly affect execution times and memory usage of the preconditioning and acceleration procedures. In addition, a combination of the ILU level between five to seven and the drop tolerance value between 10⁻² and 10⁻³ usually resulted in shorter overall execution time. Our study suggests that the users can elicit higher performance and robustness of the χMD matrix solver using this combination of the parameters and enhance computational efficiency of solving groundwater and solute transport problems.     

ogs5py: A Python-API for the OpenGeoSys 5 Scientific Modeling Package

High-performance numerical codes are an indispensable tool for hydrogeologists when modeling subsurface flow and transport systems. But as they are written in compiled languages, like C/C++ or Fortran, established software packages are rarely user-friendly, limiting a wider adoption of such tools. OpenGeoSys (OGS), an open-source, finite-element solver for thermo-hydro-mechanical–chemical processes in porous and fractured media, is no exception. Graphical user interfaces may increase usability, but do so at a dramatic reduction of flexibility and are difficult or impossible to integrate into a larger workflow. Python offers an optimal trade-off between these goals by providing a highly flexible, yet comparatively user-friendly environment for software applications. Hence, we introduce ogs5py , a Python-API for the OpenGeoSys 5 scientific modeling package. It provides a fully Python-based representation of an OGS project, a large array of convenience functions for users to interact with OGS and connects OGS to the scientific and computational environment of Python.     

An efficient numerical model for multicomponent compressible flow in fractured porous media

An efficient and accurate numerical model for multicomponent compressible single-phase flow in fractured media is presented. The discrete-fracture approach is used to model the fractures where the fracture entities are described explicitly in the computational domain. We use the concept of cross flow equilibrium in the fractures. This will allow large matrix elements in the neighborhood of the fractures and considerable speed up of the algorithm. We use an implicit finite volume (FV) scheme to solve the species mass balance equation in the fractures. This step avoids the use of Courant–Freidricks–Levy (CFL) condition and contributes to significant speed up of the code. The hybrid mixed finite element method (MFE) is used to solve for the velocity in both the matrix and the fractures coupled with the discontinuous Galerkin (DG) method to solve the species transport equations in the matrix. Four numerical examples are presented to demonstrate the robustness and efficiency of the proposed model. We show that the combination of the fracture cross-flow equilibrium and the implicit composition calculation in the fractures increase the computational speed 20–130 times in 2D. In 3D, one may expect even a higher computational efficiency.     

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.     

A new lumped-parameter model for flow in unsaturated dual-porosity media

A new lumped-parameter approach to simulating unsaturated flow processes in dual-porosity media such as fractured rocks or aggregated soils is presented. Fluid flow between the fracture network and the matrix blocks is described by a non-linear equation that relates the imbibition rate of the local difference in liquid-phase pressure between the fractures and the matrix blocks. Unlike a Warren-Root-type equation, this equation is accurate in both the early and late time regimes. The fracture/matrix interflow equation has been incorporated into an existing unsaturated flow simulator, to serve as a source/sink term for fracture gridblocks. Flow processes are then simulated using only fracture gridblocks in the computational grid. This new lumped-parameter approach has been tested on two problems involving transient flow in fractured/porous media, and compared with simulations performed using explicit discretisation of the matrix blocks. The new procedure seems to accurately simulate flow processes in unsaturated fractured rocks, and typically requires an order of magnitude less computational time than do simulations using fully-discretised matrix blocks.     

Error control of iterative linear solvers for integrated groundwater models

An open problem that arises when using modern iterative linear solvers, such as the preconditioned conjugate gradient method or Generalized Minimum RESidual (GMRES) method, is how to choose the residual tolerance in the linear solver to be consistent with the tolerance on the solution error. This problem is especially acute for integrated groundwater models, which are implicitly coupled to another model, such as surface water models, and resolve both multiple scales of flow and temporal interaction terms, giving rise to linear systems with variable scaling. This article uses the theory of "forward error bound estimation" to explain the correspondence between the residual error in the preconditioned linear system and the solution error. Using examples of linear systems from models developed by the US Geological Survey and the California State Department of Water Resources, we observe that this error bound guides the choice of a practical measure for controlling the error in linear systems. We implemented a preconditioned GMRES algorithm and benchmarked it against the Successive Over-Relaxation (SOR) method, the most widely known iterative solver for nonsymmetric coefficient matrices. With forward error control, GMRES can easily replace the SOR method in legacy groundwater modeling packages, resulting in the overall simulation speedups as large as 7.74×. This research is expected to broadly impact groundwater modelers through the demonstration of a practical and general approach for setting the residual tolerance in line with the solution error tolerance and presentation of GMRES performance benchmarking results.     

Matrix–fracture transfer shape factor for modeling flow of a compressible fluid in dual-porosity media

The matrix–fracture transfer shape factor is one of the important parameters in the modeling of fluid flow in fractured porous media using a dual-porosity concept. Warren and Root [36] introduced the dual-porosity concept and suggested a relation for the shape factor. There is no general relationship for determining the shape factor for a single-phase flow of slightly compressible fluids. Therefore, different studies reported different values for this parameter, as an input into the flow models. Several investigations have been reported on the shape factor for slightly compressible fluids. However, the case of compressible fluids has not been investigated in the past. The focus of this study is, therefore, to find the shape factor for the single-phase flow of compressible fluids (gases) in fractured porous media. In this study, a model for the determination of the shape factor for compressible fluids is presented; and, the solution of nonlinear gas diffusivity equation is used to derive the shape factor. The integral method and the method of moments are used to solve the nonlinear governing equation by considering the pressure dependency of the viscosity and isothermal compressibility of the fluid. The approximate semi-analytical model for the shape factor presented in this study is verified using single-porosity, fine-grid, numerical simulations. The dependency of the shape factor on the gas specific gravity, pressure and temperature are also investigated. The theoretical analysis presented improves our understanding of fluid flow in fractured porous media. In addition, the developed matrix–fracture transfer shape factor can be used as an input for modeling flow of compressible fluids in dual-porosity systems, such as naturally fractured gas reservoirs, coalbed methane reservoirs and fractured tight gas reservoirs.     

Lanczos method for dynamic analysis of damped structural systems

In this paper we extend the Lanczos algorithm for the dynamic analysis of structures⁷ to systems with general matrix coefficients. The equations of dynamic equilibrium are first transformed to a system of first order differential equations. Then the unsymmetric Lanczos method is used to generate two sets of vectors. These vectors are used in a method of weighted residuals to reduce the equations of motion to a small unsymmetric tridiagonal system. The algorithm is further simplified for systems of equations with symmetric matrices. By appropriate choice of the starting vectors we obtain an implementation of the Lanczos method that is remarkably close to that in Reference 7, but generalized to the case with indefinite matrix coefficients. This simplification eliminates one of the sets of vectors generated by the unsymmetric Lanczos method and results in a symmetric tridiagonal, but indefinite, system. We identify the difficulties that may arise when this implementation is applied to problems with symmetric indefinite matrices such as vibration of structures with velocity feedback control forces which lead to symmetric damping matrices. This approach is used to evaluate the vibration response of a damped beam problem and a space mast structure with symmetric damping matrix arising from velocity feedback control forces. In both problems, accurate solutions were obtained with as few as 20 Lanczos vectors.     

A computational model for coupled multiphysics processes of CO2 sequestration in fractured porous media

In this paper, a computational model for the simulation of coupled hydromechanical and electrokinetic flow in fractured porous media is introduced. Particular emphasis is placed on modeling CO₂ flow in a deformed, fractured geological formation and the associated electrokinetic flow. The governing field equations are derived based on the averaging theory and the double porosity model. They are solved numerically with a mixed discretization scheme, formulated on the basis of the standard Galerkin finite element method, the extended finite element method, the level-set method and the Petrov–Galerkin method. The standard Galerkin method is utilized to discretize the equilibrium and the diffusive dominant field equations, and the extended finite element method, together with the level-set method and the Petrov–Galerkin method, are utilized to discretize the advective dominant field equations. The level-set method is employed to trace the CO₂ plume front, and the extended finite element method is employed to model the high gradient in the saturation field front. The proposed mixed discretization scheme leads to a convergent system, giving a stable and effectively mesh-independent model. The accuracy and computational efficiency of the proposed model is evaluated by verification and numerical examples. Effects of the fracture spacing on the CO₂ flow and the streaming potential are discussed.     

Grid refinement for modeling multiphase flow in discretely fractured porous media

A study of the effects of grid discretization on the migration of DNAPL within a discrete-fracture network embedded in a porous rock matrix is presented. It is shown that an insufficiently fine discretization of the fracture elements can lead to an overprediction of the volume of DNAPL that continues to migrate vertically at the intersection of a vertical and horizontal fracture. Uniform discretization of elements at the scale of one centimetre (or less) accurately resolved the density and capillary pressure components of the head gradient in the DNAPL. An alternative, non-uniform method of discretization of elements within the discrete-fracture network is presented whereby only fracture elements immediately adjacent to fracture intersections are refined. To further limit the number of elements employed, the porous matrix elements adjacent to the fracture elements are not similarly refined. Results show this alternative method of discretization reduces the numerical error to an acceptable level, while allowing the simulation of field-scale DNAPL contamination problems. The results from two field-scale simulations of a DNAPL-contaminated carbonate bedrock site in Ontario, Canada are presented. These simulations compare different methods of grid discretization, and highlight the importance of grid refinement when simulating DNAPL migration problems in fractured porous media.     

A stochastic model reduction method for nonlinear unconfined flow with multiple random input fields

In this paper we present a stochastic model reduction method for efficiently solving nonlinear unconfined flow problems in heterogeneous random porous media. The input random fields of flow model are parameterized in a stochastic space for simulation. This often results in high stochastic dimensionality due to small correlation length of the covariance functions of the input fields. To efficiently treat the high-dimensional stochastic problem, we extend a recently proposed hybrid high-dimensional model representation (HDMR) technique to high-dimensional problems with multiple random input fields and integrate it with a sparse grid stochastic collocation method (SGSCM). Hybrid HDMR can decompose the high-dimensional model into a moderate M-dimensional model and a few one-dimensional models. The moderate dimensional model only depends on the most M important random dimensions, which are identified from the full stochastic space by sensitivity analysis. To extend the hybrid HDMR, we consider two different criteria for sensitivity test. Each of the derived low-dimensional stochastic models is solved by the SGSCM. This leads to a set of uncoupled deterministic problems at the collocation points, which can be solved by a deterministic solver. To demonstrate the efficiency and accuracy of the proposed method, a few numerical experiments are carried out for the unconfined flow problems in heterogeneous porous media with different correlation lengths. The results show that a good trade-off between computational complexity and approximation accuracy can be achieved for stochastic unconfined flow problems by selecting a suitable number of the most important dimensions in the M-dimensional model of hybrid HDMR.     

Bioremediation in Fractured Rock: 1. Modeling to Inform Design,Monitoring, and Expectations

Field characterization of a trichloroethene (TCE) source area in fractured mudstones produced a detailed understanding of the geology, contaminant distribution in fractures and the rock matrix, and hydraulic and transport properties. Groundwater flow and chemical transport modeling that synthesized the field characterization information proved critical for designing bioremediation of the source area. The planned bioremediation involved injecting emulsified vegetable oil and bacteria to enhance the naturally occurring biodegradation of TCE. The flow and transport modeling showed that injection will spread amendments widely over a zone of lower‐permeability fractures, with long residence times expected because of small velocities after injection and sorption of emulsified vegetable oil onto solids. Amendments transported out of this zone will be diluted by groundwater flux from other areas, limiting bioremediation effectiveness downgradient. At nearby pumping wells, further dilution is expected to make bioremediation effects undetectable in the pumped water. The results emphasize that in fracture‐dominated flow regimes, the extent of injected amendments cannot be conceptualized using simple homogeneous models of groundwater flow commonly adopted to design injections in unconsolidated porous media (e.g., radial diverging or dipole flow regimes). Instead, it is important to synthesize site characterization information using a groundwater flow model that includes discrete features representing high‐ and low‐permeability fractures. This type of model accounts for the highly heterogeneous hydraulic conductivity and groundwater fluxes in fractured‐rock aquifers, and facilitates designing injection strategies that target specific volumes of the aquifer and maximize the distribution of amendments over these volumes.     

Groundwater recharge estimation in arid hardrock‐alluvium aquifers using combined water‐table fluctuation and groundwater balance approaches

This paper proposes an approach to estimate groundwater recharge using an optimization‐based water‐table fluctuation method combined with a groundwater balance model in an arid hardrock‐alluvium region, located at the Oman–United Arab Emirates border. We introduce an “effective hardrock thickness” term to identify the percentage of the considered hardrock thickness in which effective groundwater flow takes place. The proposed method is based upon a Thiessen polygon zoning approach. The method includes subpolygons to represent specific geologic units and to enhance the confidence of the estimated groundwater recharge. Two linear and 1 nonlinear submodels were developed to evaluate the model components for the calibration (October 1996 to September 2008) and validation (October 2008 to September 2013) periods. Long‐term annual groundwater recharge from rainfall and return flow over the model domain are estimated as 24.62 and 5.71 Mm³, respectively, while the effective groundwater flow circulation is found to occur in the upper 7% of the known hardrock thickness (42 m), confirming conclusions of previous field studies. Considering a total difference in groundwater levels between eastern and western points of the study area of the order of 220 m and a 12‐year monthly calibration period, a weighted root mean squared error in predicted groundwater elevation of 2.75 m is considered quite reasonable for the study area characterized by remarkable geological and hydrogeological diversity. The proposed approach provides an efficient and robust method to estimate groundwater recharge in regions with a complex geological setting in which interaction between fractured and porous media cannot be easily assessed.     

Comparison of cell- and vertex-centered discretization methods for flow in a two-dimensional discrete-fracture–matrix system

Simulations of flow for a discrete-fracture model in fractured porous rocks have gradually become more practical, as a consequence of increased computer power and improved simulation and characterization techniques. Discrete-fracture models can be formulated in a lower-dimensional framework, where the fractures are modeled in a lower dimension than the matrix, or in an equi-dimensional form, where the fractures and the matrix have the same dimension.     

Effect of fracture pressure depletion regimes on the dual-porosity shape factor for flow of compressible fluids in fractured porous media

A precise value of the matrix-fracture transfer shape factor is essential for modeling fluid flow in fractured porous media by a dual-porosity approach. The slightly compressible fluid shape factor has been widely investigated in the literature. In a recent study, we have developed a transfer function for flow of a compressible fluid using a constant fracture pressure boundary condition [Ranjbar E, Hassanzadeh H, Matrix-fracture transfer shape factor for modeling flow of a compressible fluid in dual-porosity media. Adv Water Res 2011;34(5):627-39. doi:10.1016/j.advwatres.2011.02.012]. However, for a compressible fluid, the consequence of a pressure depletion boundary condition on the shape factor has not been investigated in the previous studies. The main purpose of this paper is, therefore, to investigate the effect of the fracture pressure depletion regime on the shape factor for single-phase flow of a compressible fluid. In the current study, a model for evaluation of the shape factor is derived using solutions of a nonlinear diffusivity equation subject to different pressure depletion regimes. A combination of the heat integral method, the method of moments and Duhamel’s theorem is used to solve this nonlinear equation. The developed solution is validated by fine-grid numerical simulations. The presented model can recover the shape factor of slightly compressible fluids reported in the literature. This study demonstrates that in the case of a single-phase flow of compressible fluid, the shape factor is a function of the imposed boundary condition in the fracture and its variability with time. It is shown that such dependence can be described by an exponentially declining fracture pressure with different decline exponents. These findings improve our understanding of fluid flow in fractured porous media.     

Discretizing the fracture-matrix interface to simulate solute transport

This article examines the required spatial discretization perpendicular to the fracture-matrix interface (FMI) for numerical simulation of solute transport in discretely fractured porous media. The discrete-fracture, finite-element model HydroGeoSphere ( Therrien et al. 2005 ) and a discrete-fracture implementation of MT3DMS ( Zheng 1990 ) were used to model solute transport in a single fracture, and the results were compared to the analytical solution of Tang et al. (1981) . To match analytical results on the relatively short timescales simulated in this study, very fine grid spacing perpendicular to the FMI of the scale of the fracture aperture is necessary if advection and/or dispersion in the fracture is high compared to diffusion in the matrix. The requirement of such extremely fine spatial discretization has not been previously reported in the literature. In cases of high matrix diffusion, matching the analytical results is achieved with larger grid spacing at the FMI. Cases where matrix diffusion is lower can employ a larger grid multiplier moving away from the FMI. The very fine spatial discretization identified in this study for cases of low matrix diffusion may limit the applicability of numerical discrete-fracture models in such cases.     

Multiple Well-Shutdown Tests and Site-Scale Flow Simulation in Fractured Rocks

A new method was developed for conducting aquifer tests in fractured-rock flow systems that have a pump-and-treat (P&T) operation for containing and removing groundwater contaminants. The method involves temporary shutdown of individual pumps in wells of the P&T system. Conducting aquifer tests in this manner has several advantages, including (1) no additional contaminated water is withdrawn, and (2) hydraulic containment of contaminants remains largely intact because pumping continues at most wells. The well-shutdown test method was applied at the former Naval Air Warfare Center (NAWC), West Trenton, New Jersey, where a P&T operation is designed to contain and remove trichloroethene and its daughter products in the dipping fractured sedimentary rocks underlying the site. The detailed site-scale subsurface geologic stratigraphy, a three-dimensional MODFLOW model, and inverse methods in UCODE_2005 were used to analyze the shutdown tests. In the model, a deterministic method was used for representing the highly heterogeneous hydraulic conductivity distribution and simulations were conducted using an equivalent porous media method. This approach was very successful for simulating the shutdown tests, contrary to a common perception that flow in fractured rocks must be simulated using a stochastic or discrete fracture representation of heterogeneity. Use of inverse methods to simultaneously calibrate the model to the multiple shutdown tests was integral to the effectiveness of the approach.