Impact of Local Groundwater Flow Model Errors on Transport and a Practical Solution for the Issue

A groundwater flow model is typically used to provide the flow field for conducting groundwater solute transport simulations. The advection term of the mass conserved formulation for groundwater transport assumes that the flow field is perfectly balanced and that all water flowing into a numerical grid cell is exactly balanced by outflows after accounting for sources/sinks or internal storage. However, in many complicated regional or site‐scale models, there may be localized flow balance errors that may be difficult to eliminate through tighter flow convergence tolerances due to simulation time constraints or numerical limits on convergence tolerances. Thus, if water is erroneously gained or lost within a grid cell during the flow computation, the solutes within it will also be numerically affected in the associated transport simulation. Transport solutions neglect this error in groundwater flow as the transport equations that are solved assume no error in flow. This flow imbalance error can however have consequences on the transport solution ranging from unnoticeable errors in the resulting concentrations to spurious oscillations that can grow in time and hinder further solution. An approach has been suggested here, to explicitly handle these flow imbalances during mass conserved advective transport computations and report them in the corresponding transport mass balance output, as corrections that are needed to handle errors originating in the flow solution. Example problems are provided to explain the concepts and demonstrate the impacts.     

Development of a grid‐based version of the SWAT landscape model

Integrated river basin models should provide a spatially distributed representation of basin hydrology and transport processes to allow for spatially implementing specific management and conservation measures. To accomplish this, the Soil and Water Assessment Tool (SWAT) was modified by integrating a landscape routing model to simulate water flow across discretized routing units. This paper presents a grid‐based version of the SWAT landscape model that has been developed to enhance the spatial representation of hydrology and transport processes. The modified model uses a new flow separation index that considers topographic features and soil properties to capture channel and landscape flow processes related to specific landscape positions. The resulting model is spatially fully distributed and includes surface, lateral and groundwater fluxes in each grid cell of the watershed. Furthermore, it more closely represents the spatially heterogeneous distributed flow and transport processes in a watershed. The model was calibrated and validated for the Little River Watershed (LRW) near Tifton, Georgia (USA). Water balance simulations as well as the spatial distribution of surface runoff, subsurface flow and evapotranspiration are examined. Model results indicate that groundwater flow is the dominant landscape process in the LRW. Results are promising, and satisfactory output was obtained with the presented grid‐based SWAT landscape model. Nash–Sutcliffe model efficiencies for daily stream flow were 0.59 and 0.63 for calibration and validation periods, and the model reasonably simulates the impact of the landscape position on surface runoff, subsurface flow and evapotranspiration. Additional revision of the model will likely be necessary to adequately represent temporal variations of transport and flow processes in a watershed. Copyright © 2014 John Wiley & Sons, Ltd.     

1DTempPro: Analyzing Temperature Profiles for Groundwater/Surface‐water Exchange

A new computer program, 1DTempPro, is presented for the analysis of vertical one‐dimensional (1D) temperature profiles under saturated flow conditions. 1DTempPro is a graphical user interface to the U.S. Geological Survey code Variably Saturated 2‐Dimensional Heat Transport (VS2DH), which numerically solves the flow and heat‐transport equations. Pre‐ and postprocessor features allow the user to calibrate VS2DH models to estimate vertical groundwater/surface‐water exchange and also hydraulic conductivity for cases where hydraulic head is known.     

Estimating the Impact of Vadose Zone Sources on Groundwater to Support Performance Assessment of Soil Vapor Extraction

Soil vapor extraction (SVE) is a prevalent remediation remedy for volatile organic compound (VOC) contaminants in the vadose zone. To support selection of an appropriate condition at which SVE may be terminated for site closure or for transition to another remedy, an evaluation is needed to determine whether vadose zone VOC contamination has been diminished sufficiently to keep groundwater concentrations below threshold values. A conceptual model for this evaluation was developed for VOC fate and transport from a vadose zone source to groundwater when vapor‐phase diffusive transport is the dominant transport process. A numerical analysis showed that, for these conditions, the groundwater concentration is controlled by a limited set of parameters, including site‐specific dimensions, vadose zone properties, and source characteristics. On the basis of these findings, a procedure was then developed for estimating groundwater concentrations using results from the three‐dimensional multiphase transport simulations for a matrix of parameter value combinations and covering a range of potential site conditions. Interpolation and scaling processes are applied to estimate groundwater concentrations at compliance (monitoring) wells for specific site conditions of interest using the data from the simulation results. The interpolation and scaling methodology using these simulation results provides a far less computationally intensive alternative to site‐specific three‐dimensional multiphase site modeling, while still allowing for parameter sensitivity and uncertainty analyses. With iterative application, the approach can be used to consider the effect of a diminishing vadose zone source over time on future groundwater concentrations. This novel approach and related simulation results have been incorporated into a user‐friendly Microsoft® Excel®‐based spreadsheet tool entitled SVEET (Soil Vapor Extraction Endstate Tool), which has been made available to the public.     

Including Vertical Fault Structures in Layered Groundwater Flow Models

Accurate representation of groundwater flow and solute transport requires a sound representation of the underlying geometry of aquifers. Faults can have a significant influence on the structure and connectivity of aquifers, which may allow permeable units to connect, and aquifers to seal when juxtaposed against lower permeability units. Robust representation of groundwater flow around faults remains challenging despite the significance of faults for flow and transport. We present a methodology for the inclusion of faults utilizing the unstructured grid features of MODFLOW-USG and MODFLOW 6. The method focuses on the representation of fault geometries using non-neighbor connections between juxtaposed layers. We present an illustration of the method for a synthetic fluvial aquifer. The combined impact of the heterogeneous aquifer and fault offset is clearly visible where channel features at different depths in the aquifer were connected at the fault. These results highlight the importance of representing fault features in groundwater flow models.     

Modelling study on the impact of deep building foundations on the groundwater system

Coastal areas are usually the preferred place of habitation for human beings. Anthropogenic activities such as the construction of high‐rise buildings and underground transport systems usually require extensive deep foundations and ground engineering works, which may unintentionally modify the coastal groundwater system because the construction materials of foundations are usually of low hydraulic conductivity. In this paper, the impact of these building foundations on the groundwater regime is studied using hypothetical flow and transport models. Various possible realizations of foundation distributions are generated using stochastic parameters derived from a topographical map of an actual coastal area in Hong Kong. The effective hydraulic conductivity is first calculated for different realizations and the results show that the effective hydraulic conductivity can be reduced significantly. Then a hypothetical numerical model based on FEFLOW is set up to study the change of hydraulic head, groundwater discharge, and saltwater‐fresh water interface. The groundwater level and flow are modified to various degrees, depending on the foundations percentage and the distribution pattern of the buildings. When the foundations percentage is high and the building foundations are aggregated, the hydraulic head is raised significantly and the originally one‐dimensional groundwater flow field becomes complicated. Seaward groundwater discharge will be reduced and some groundwater may become seepage through the ground surface. The transport model shows that, after foundations are added, overall the seawater and fresh groundwater interface moves landward, so extensive foundations may induce seawater intrusion. It is believed that the modification of the coastal groundwater system by building foundations may have engineering and environmental implications, such as submarine groundwater discharge, foundation corrosion, and slope stability. Copyright © 2007 John Wiley & Sons, Ltd.     

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.     

A coupled model for simulating surface water and groundwater interactions in coastal wetlands

Coastal wetlands are characterized by strong, dynamic interactions between surface water and groundwater. This paper presents a coupled model that simulates interacting surface water and groundwater flow and solute transport processes in these wetlands. The coupled model is based on two existing (sub) models for surface water and groundwater, respectively: ELCIRC (a three‐dimensional (3‐D) finite‐volume/finite‐difference model for simulating shallow water flow and solute transport in rivers, estuaries and coastal seas) and SUTRA (a 3‐D finite‐element/finite‐difference model for simulating variably saturated, variable‐density fluid flow and solute transport in porous media). Both submodels, using compatible unstructured meshes, are coupled spatially at the common interface between the surface water and groundwater bodies. The surface water level and solute concentrations computed by the ELCIRC model are used to determine the boundary conditions of the SUTRA‐based groundwater model at the interface. In turn, the groundwater model provides water and solute fluxes as inputs for the continuity equations of surface water flow and solute transport to account for the mass exchange across the interface. Additionally, flux from the seepage face was routed instantaneously to the nearest surface water cell according to the local sediment surface slope. With an external coupling approach, these two submodels run in parallel using time steps of different sizes. The time step (Δt_g) for the groundwater model is set to be larger than that (Δt_s) used by the surface water model for computational efficiency: Δt_g = M × Δt_s where M is an integer greater than 1. Data exchange takes place between the two submodels through a common database at synchronized times (e.g. end of each Δt_g). The coupled model was validated against two previously reported experiments on surface water and groundwater interactions in coastal lagoons. The results suggest that the model represents well the interacting surface water and groundwater flow and solute transport processes in the lagoons. Copyright © 2011 John Wiley & Sons, Ltd.     

Discussion about the validity of sharp‐interface models to deal with seawater intrusion in coastal aquifers

Analytical models have been exhaustively used to study simple seawater intrusion problems and the sustainable management of groundwater resources in coastal aquifers because of its simplicity, easy implementation, and low computational cost. Most of these models are based on the sharp‐interface approximation and the Ghyben–Herzberg relation, and their governing equations are expressed in terms of a single potential theory to calculate critical pumping rates in a coastal pumping scenario. The Ghyben–Herzberg approach neglects mixing of fresh water and seawater and implicitly assumes that salt water remains static. Therefore, the results of the analytical solutions may be inaccurate and unacceptable for some real‐complex case studies. This paper provides insight into the validity of sharp‐interface models to deal with seawater intrusion in coastal aquifers, i.e. when they can be applied to obtain accurate enough results. For that purpose, this work compares sharp‐interface solutions, based on the Ghyben–Herzberg approach, with numerical three‐dimensional variable‐density flow simulations for a set of heterogeneous groundwater flow and mass transport parameters, and different scenarios of spatially distributed recharge values and spatial wells placement. The numerical experiment has been carried out in a 3D unconfined synthetic aquifer using the finite difference numerical code SEAWAT for solving the coupled partial differential equations of flow and density‐dependent transport. This paper finds under which situations the sharp‐interface solution gives good predictions in terms of seawater penetration, transition zone width and critical pumping rates. Additionally, the simulation runs indicate to which parameters and scenarios the results are more sensitive. Copyright © 2013 John Wiley & Sons, Ltd.     

Time–space fractional governing equations of transient groundwater flow in confined aquifers: Numerical investigation

In order to model non‐Fickian transport behaviour in groundwater aquifers, various forms of the time–space fractional advection–dispersion equation have been developed and used by several researchers in the last decade. The solute transport in groundwater aquifers in fractional time–space takes place by means of an underlying groundwater flow field. However, the governing equations for such groundwater flow in fractional time–space are yet to be developed in a comprehensive framework. In this study, a finite difference numerical scheme based on Caputo fractional derivative is proposed to investigate the properties of a newly developed time–space fractional governing equations of transient groundwater flow in confined aquifers in terms of the time–space fractional mass conservation equation and the time–space fractional water flux equation. Here, we apply these time–space fractional governing equations numerically to transient groundwater flow in a confined aquifer for different boundary conditions to explore their behaviour in modelling groundwater flow in fractional time–space. The numerical results demonstrate that the proposed time–space fractional governing equation for groundwater flow in confined aquifers may provide a new perspective on modelling groundwater flow and on interpreting the dynamics of groundwater level fluctuations. Additionally, the numerical results may imply that the newly derived fractional groundwater governing equation may help explain the observed heavy‐tailed solute transport behaviour in groundwater flow by incorporating nonlocal or long‐range dependence of the underlying groundwater flow field.     

Low‐Resolution Modeling of Dense Drainage Networks in Confining Layers

Groundwater‐surface water (GW‐SW) interaction in numerical groundwater flow models is generally simulated using a Cauchy boundary condition, which relates the flow between the surface water and the groundwater to the product of the head difference between the node and the surface water level, and a coefficient, often referred to as the “conductance.” Previous studies have shown that in models with a low grid resolution, the resistance to GW‐SW interaction below the surface water bed should often be accounted for in the parameterization of the conductance, in addition to the resistance across the surface water bed. Three conductance expressions that take this resistance into account were investigated: two that were presented by Mehl and Hill (2010) and the one that was presented by De Lange (1999). Their accuracy in low‐resolution models regarding salt and water fluxes to a dense drainage network in a confined aquifer system was determined. For a wide range of hydrogeological conditions, the influence of (1) variable groundwater density; (2) vertical grid discretization; and (3) simulation of both ditches and tile drains in a single model cell was investigated. The results indicate that the conductance expression of De Lange (1999) should be used in similar hydrogeological conditions as considered in this paper, as it is better taking into account the resistance to flow below the surface water bed. For the cases that were considered, the influence of variable groundwater density and vertical grid discretization on the accuracy of the conductance expression of De Lange (1999) is small.     

An Open,Object-Based Framework for Generating Anisotropy in Sedimentary Subsurface Models

The spatial distribution of hydraulic properties in the subsurface controls groundwater flow and solute transport. However, many approaches to modeling these distributions do not produce geologically realistic results and/or do not model the anisotropy of hydraulic conductivity caused by bedding structures in sedimentary deposits. We have developed a flexible object-based package for simulating hydraulic properties in the subsurface—the Hydrogeological Virtual Realities (HyVR) simulation package. This implements a hierarchical modeling framework that takes into account geological rules about stratigraphic bounding surfaces and the geometry of specific sedimentary structures to generate realistic aquifer models, including full hydraulic-conductivity tensors. The HyVR simulation package can create outputs suitable for standard groundwater modeling tools (e.g., MODFLOW), is written in Python, an open-source programming language, and is openly available at an online repository. This paper presents an overview of the underlying modeling principles and computational methods, as well as an example simulation based on the Macrodispersion Experiment site in Columbus, Mississippi. Our simulation package can currently simulate porous media that mimic geological conceptual models in fluvial depositional environments, and that include fine-scale heterogeneity in distributed hydraulic parameter fields. The simulation results allow qualitative geological conceptual models to be converted into digital subsurface models that can be used in quantitative numerical flow-and-transport simulations, with the aim of improving our understanding of the influence of geological realism on groundwater flow and solute transport.     

A Spatially Periodic Solute Boundary for MT3DMS and PHT3D

The assumption of spatial repetition is commonly made when producing bedform scale models of the hyporheic zone. Two popular solute transport codes, MT3DMS and PHT3D, do not currently provide the necessary boundary condition required to simulate spatial periodicity in hyporheic zone transport problems. In this study, we develop a spatially periodic boundary (SPB) for solutes that is compatible with a SPB that was previously developed for MODFLOW to simulate the flow component of spatially periodic problems. The approach is ideal for simulating groundwater flow and transport patterns under repeating surface features, such as ripples or dunes on the bottom of a lake or stream. The appropriate block‐centered finite‐difference approach to implement the boundary is presented and the necessary source code modifications are discussed. The performance of the solute SPB, operating in conjunction with the groundwater flow SPB, is explored through comparison of a multi‐bedform hyporheic‐zone model with a single bedform variant. The new boundary conditions perform well in situations where both dispersive effects and lateral seepage flux in the underflow regime beneath the hyporheic zone are minimal.     

Automatic Generation of Locally Refined Composite Grids for Efficient Solute Transport Modeling

Widely used numerical models of solute transport processes in subsurface aquifers are limited to nonlocally refined rectangular, or logically rectangular, structured grids. This presents an unsuitable option to efficient numerical simulations maintaining an acceptable level of accuracy. Optimal selection of locally refined cells for efficient solute transport models is challenging to the current generation of numerical models. We present a novel and relatively simple to implement algorithm addressing these shortcomings. This method operates in four steps involving travel times simulations, a grid coarsening stage followed by a selective local grid refinement based on a cell-wise indicator, and a final postprocessing step. The refinement index is the sum of weighted logarithmic distributions of scaled forward and backward travel times. We calculate representative flow and transport properties at the two scales of the composite grid with a flow-based upscaling technique. We present two test problems to demonstrate the performances of this new gridding algorithm. We obtain the most important speedups for composite grids generated with the highest indicator thresholds. When hydrodynamic dispersion effects increase, we obtain less important speedups. An important outcome of this work is that grid design depends on nature and strength of the underlying flow and solute transport processes. Therefore, we suggest developing solute transport workflows integrating this grid generation algorithm as an integral component to build comprehensive and efficient groundwater models.     

Hydrodynamic modelling for groundwater flow through permeable reactive barriers

Hydrodynamic modelling for analysis of groundwater flow through permeable reactive barriers (PRBs) is addressed in this paper. Permeable reactive barriers constitute an emerging technology for in situ remediation of groundwater contamination and have many advantages over the traditional ex situ treatment methods. The transport domains during groundwater flow through PRBs often may involve free‐flow or non‐porous sections. To model the fluid mobility efficiently in such situations, the free and porous flow zones (PRBs) must be studied in conjunction with each other. The present paper is devoted to the analysis of groundwater flow through combined free flow domains and PRBs. The free‐flow regime is modelled using the Navier–Stokes equations whereas the permeable barriers are simulated by either the Darcy or the Brinkman equation. In order to couple the governing equations of motions, well‐posed mathematical formulations of matching boundary conditions are prescribed at the interface between the free‐groundwater‐flow zones and the permeable barriers. Combination of the Navier–Stokes equations with the Brinkman equation is more straightforward owing to their analogous forms. However, the Navier–Stokes and Darcy equations are incompatible mathematically and cannot be linked directly. The problem is resolved in this paper by invoking validated hydrodynamical expressions for describing the flow behaviour at the interfaces between free‐flow and porous zones. Three schemes for the analyses of fluid flow in combined domains are applied to the case of groundwater flow through permeable reactive barriers and different model results are compared. Copyright © 2002 John Wiley & Sons, Ltd.     

High-Resolution Integrated Transport Model for Studying Surface Water–Groundwater Interaction

Transport processes that lead to exchange of mass between surface water and groundwater play a significant role for the ecological functioning of aquatic systems, for hydrological processes and for biogeochemical transformations. In this study, we present a novel integral modeling approach for flow and transport at the sediment–water interface. The model allows us to simultaneously simulate turbulent surface and subsurface flow and transport with the same conceptual approach. For this purpose, a conservative transport equation was implemented to an existing approach that uses an extended version of the Navier–Stokes equations. Based on previous flume studies which investigated the spreading of a dye tracer under neutral, losing and gaining flow conditions the new solver is validated. Tracer distributions of the experiments are in close agreement with the simulations. The simulated flow paths are significantly affected by in- and outflowing groundwater flow. The highest velocities within the sediment are found for losing condition, which leads to shorter residence times compared to neutral and gaining conditions. The largest extent of the hyporheic exchange flow is observed under neutral condition. The new solver can be used for further examinations of cases that are not suitable for the conventional coupled models, for example, if Reynolds numbers are larger than 10. Moreover, results gained with the integral solver provide high-resolution information on pressure and velocity distributions at the rippled streambed, which can be used to improve flow predictions. This includes the extent of hyporheic exchange under varying ambient groundwater flow conditions.     

Axisymmetric Modeling Using MODFLOW-USG

Axisymmetric groundwater models are used for simulating radially symmetric conditions. Groundwater simulators built specifically to model axisymmetric conditions are most commonly used for simulating aquifer tests. Although some numerical models capable of simulating flow and solute transport that are developed in the cartesian coordinate system framework offer flexibility to simulate axisymmetric conditions, most of the numerical groundwater models, such as the MODFLOW family of codes, are based on structured grids in which axisymmetric flows cannot be directly simulated. Researchers in the past have provided methods to manipulate aquifer properties to mimic axisymmetric conditions. This study presents a methodology that takes advantage of the unstructured grids of MODFLOW-USG to simulate axisymmetric models within the MODFLOW framework. To develop axisymmetric models, the intercell interface area arrays of MODFLOW-USG were calculated to accurately represent coaxial cylindrical model cells. Three examples are presented to demonstrate the application of MODFLOW-USG for axisymmetric modeling: a pumping well with delayed yield effects, a vadose zone flow model simulating an infiltration basin, and a density-dependent saltwater intrusion problem for a circular island. Results were verified against analytical solutions and published numerical codes.     

The Effect of Modeled Recharge Distribution on Simulated Groundwater Availability and Capture

Simulating groundwater flow in basin‐fill aquifers of the semiarid southwestern United States commonly requires decisions about how to distribute aquifer recharge. Precipitation can recharge basin‐fill aquifers by direct infiltration and transport through faults and fractures in the high‐elevation areas, by flowing overland through high‐elevation areas to infiltrate at basin‐fill margins along mountain fronts, by flowing overland to infiltrate along ephemeral channels that often traverse basins in the area, or by some combination of these processes. The importance of accurately simulating recharge distributions is a current topic of discussion among hydrologists and water managers in the region, but no comparative study has been performed to analyze the effects of different recharge distributions on groundwater simulations. This study investigates the importance of the distribution of aquifer recharge in simulating regional groundwater flow in basin‐fill aquifers by calibrating a groundwater‐flow model to four different recharge distributions, all with the same total amount of recharge. Similarities are seen in results from steady‐state models for optimized hydraulic conductivity values, fit of simulated to observed hydraulic heads, and composite scaled sensitivities of conductivity parameter zones. Transient simulations with hypothetical storage properties and pumping rates produce similar capture rates and storage change results, but differences are noted in the rate of drawdown at some well locations owing to the differences in optimized hydraulic conductivity. Depending on whether the purpose of the groundwater model is to simulate changes in groundwater levels or changes in storage and capture, the distribution of aquifer recharge may or may not be of primary importance.     

Grid resolution study of ground water flow and transport

Three-dimensional grids representing a heterogeneous, ground water system are generated at 10 different resolutions in support of a site-scale flow and transport modeling effort. These grids represent hydrostratigraphy near Yucca Mountain, Nevada, consisting of 18 stratigraphic units with contrasting fluid flow and transport properties. The grid generation method allows the stratigraphy to be modeled by numerical grids of different resolution so that comparison studies can be performed to test for grid quality and determine the resolution required to resolve geologic structure and physical processes such as fluid flow and solute transport. The process of generating numerical grids with appropriate property distributions from geologic conceptual models is automated, thus making the entire process easy to implement with fewer user-induced errors. The series of grids of various resolutions are used to assess the level at which increasing resolution no longer influences the flow and solute transport results. Grid resolution is found to be a critical issue for ground water flow and solute transport. The resolution required in a particular instance is a function of the feature size of the model, the intrinsic properties of materials, the specific physics of the problem, and boundary conditions. The asymptotic nature of results related to flow and transport indicate that for a hydrologic model of the heterogeneous hydrostratigraphy under Yucca Mountain, a horizontal grid spacing of 600 m and vertical grid spacing of 40 m resolve the hydrostratigraphic model with sufficient precision to accurately model the hypothetical flow and solute transport to within 5% of the value that would be obtained with much higher resolution.