Christian D. Langevin

Three-dimensional model for multi-component reactive transport with variable density groundwater flow

PHWAT is a new model that couples a geochemical reaction model (PHREEQC-2) with a density-dependent groundwater flow and solute transport model (SEAWAT) using the split-operator approach. PHWAT was developed to simulate multi-component reactive transport in variable density groundwater flow. Fluid density in PHWAT depends not on only the concentration of a single species as in SEAWAT, but also the concentrations of other dissolved chemicals that can be subject to reactive processes. Simulation results of PHWAT and PHREEQC-2 were compared in their predictions of effluent concentration from a column experiment. Both models produced identical results, showing that PHWAT has correctly coupled the sub-packages. PHWAT was then applied to the simulation of a tank experiment in which seawater intrusion was accompanied by cation exchange. The density dependence of the intrusion and the snow-plough effect in the breakthrough curves were reflected in the model simulations, which were in good agreement with the measured breakthrough data. Comparison simulations that, in turn, excluded density effects and reactions allowed us to quantify the marked effect of ignoring these processes. Next, we explored numerical issues involved in the practical application of PHWAT using the example of a dense plume flowing into a tank containing fresh water. It was shown that PHWAT could model physically unstable flow and that numerical instabilities were suppressed. Physical instability developed in the model in accordance with the increase of the modified Rayleigh number for density-dependent flow, in agreement with previous research.

Quantifying Data Worth Toward Reducing Predictive Uncertainty

The present study demonstrates a methodology for optimization of environmental data acquisition. Based on the premise that the worth of data increases in proportion to its ability to reduce the uncertainty of key model predictions, the methodology can be used to compare the worth of different data types, gathered at different locations within study areas of arbitrary complexity. The method is applied to a hypothetical nonlinear, variable density numerical model of salt and heat transport. The relative utilities of temperature and concentration measurements at different locations within the model domain are assessed in terms of their ability to reduce the uncertainty associated with predictions of movement of the salt water interface in response to a decrease in fresh water recharge. In order to test the sensitivity of the method to nonlinear model behavior, analyses were repeated for multiple realizations of system properties. Rankings of observation worth were similar for all realizations, indicating robust performance of the methodology when employed in conjunction with a highly nonlinear model. The analysis showed that while concentration and temperature measurements can both aid in the prediction of interface movement, concentration measurements, especially when taken in proximity to the interface at locations where the interface is expected to move, are of greater worth than temperature measurements. Nevertheless, it was also demonstrated that pairs of temperature measurements, taken in strategic locations with respect to the interface, can also lead to more precise predictions of interface movement.

Addition of simultaneous heat and solute transport and variable fluid viscosity to SEAWAT

SEAWAT is a finite-difference computer code designed to simulate coupled variable-density ground water flow and solute transport. This paper describes a new version of SEAWAT that adds the ability to simultaneously model energy and solute transport. This is necessary for simulating the transport of heat and salinity in coastal aquifers for example. This work extends the equation of state for fluid density to vary as a function of temperature and/or solute concentration. The program has also been modified to represent the effects of variable fluid viscosity as a function of temperature and/or concentration. The viscosity mechanism is verified against an analytical solution, and a test of temperature-dependent viscosity is provided. Finally, the classic Henry-Hilleke problem is solved with the new code.

Modeling Axisymmetric Flow and Transport

Unmodified versions of common computer programs such as MODFLOW, MT3DMS, and SEAWAT that use Cartesian geometry can accurately simulate axially symmetric ground water flow and solute transport. Axisymmetric flow and transport are simulated by adjusting several input parameters to account for the increase in flow area with radial distance from the injection or extraction well. Logarithmic weighting of interblock transmissivity, a standard option in MODFLOW, can be used for axisymmetric models to represent the linear change in hydraulic conductance within a single finite-difference cell. Results from three test problems (ground water extraction, an aquifer push-pull test, and upconing of saline water into an extraction well) show good agreement with analytical solutions or with results from other numerical models designed specifically to simulate the axisymmetric geometry. Axisymmetric models are not commonly used but can offer an efficient alternative to full three-dimensional models, provided the assumption of axial symmetry can be justified. For the upconing problem, the axisymmetric model was more than 1000 times faster than an equivalent three-dimensional model. Computational gains with the axisymmetric models may be useful for quickly determining appropriate levels of grid resolution for three-dimensional models and for estimating aquifer parameters from field tests.

Scripting MODFLOW model development using Python and FloPy

Graphical user interfaces (GUIs) are commonly used to construct and postprocess numerical groundwater flow and transport models. Scripting model development with the programming language Python is presented here as an alternative approach. One advantage of Python is that there are many packages available to facilitate the model development process, including packages for plotting, array manipulation, optimization, and data analysis. For MODFLOW-based models, the FloPy package was developed by the authors to construct model input files, run the model, and read and plot simulation results. Use of Python with the available scientific packages and FloPy facilitates data exploration, alternative model evaluations, and model analyses that can be difficult to perform with GUIs. Furthermore, Python scripts are a complete, transparent, and repeatable record of the modeling process. The approach is introduced with a simple FloPy example to create and postprocess a MODFLOW model. A more complicated capture-fraction analysis with a real-world model is presented to demonstrate the types of analyses that can be performed using Python and FloPy.

Effect of Sea-Level Rise on Salt Water Intrusion near a Coastal Well Field in Southeastern Florida

A variable-density groundwater flow and dispersive solute transport model was developed for the shallow coastal aquifer system near a municipal supply well field in southeastern Florida. The model was calibrated for a 105-year period (1900 to 2005). An analysis with the model suggests that well-field withdrawals were the dominant cause of salt water intrusion near the well field, and that historical sea-level rise, which is similar to lower-bound projections of future sea-level rise, exacerbated the extent of salt water intrusion. Average 2005 hydrologic conditions were used for 100-year sensitivity simulations aimed at quantifying the effect of projected rises in sea level on fresh coastal groundwater resources near the well field. Use of average 2005 hydrologic conditions and a constant sea level result in total dissolved solids (TDS) concentration of the well field exceeding drinking water standards after 70 years. When sea-level rise is included in the simulations, drinking water standards are exceeded 10 to 21 years earlier, depending on the specified rate of sea-level rise.

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.

Tidal Boundary Conditions in SEAWAT

SEAWAT, a U.S. Geological Survey groundwater flow and transport code, is increasingly used to model the effects of tidal motion on coastal aquifers. Different options are available to simulate tidal boundaries but no guidelines exist nor have comparisons been made to identify the most effective approach. We test seven methods to simulate a sloping beach and a tidal flat. The ocean is represented in one of the three ways: directly using a high hydraulic conductivity (high-K) zone and indirect simulation via specified head boundaries using either the General Head Boundary (GHB) or the new Periodic Boundary Condition (PBC) package. All beach models simulate similar water fluxes across the upland boundary and across the sediment-water interface although the ratio of intertidal to subtidal flow is different at low tide. Simulating a seepage face results in larger intertidal fluxes and influences near-shore heads and salinity. Major differences in flow occur in the tidal flat simulations. Because SEAWAT does not simulate unsaturated flow the water table only rises via flow through the saturated zone. This results in delayed propagation of the rising tidal signal inland. Inundation of the tidal flat is delayed as is flow into the aquifer across the flat. This is severe in the high-K and PBC models but mild in the GHB models. Results indicate that any of the tidal boundary options are fine if the ocean-aquifer interface is steep. However, as the slope of that interface decreases, the high-K and PBC approaches perform poorly and the GHB boundary is preferable.

Use of Hydrologic and Hydrodynamic Modeling for Ecosystem Restoration

Planning and implementation of unprecedented projects for restoring the greater Everglades ecosystem are underway and the hydrologic and hydrodynamic modeling of restoration alternatives has become essential for success of restoration efforts. In view of the complex nature of the South Florida water resources system, regional-scale (system-wide) hydrologic models have been developed and used extensively for the development of the Comprehensive Everglades Restoration Plan. In addition, numerous subregional-scale hydrologic and hydrodynamic models have been developed and are being used for evaluating project-scale water management plans associated with urban, agricultural, and inland costal ecosystems. The authors provide a comprehensive summary of models of all scales, as well as the next generation models under development to meet the future needs of ecosystem restoration efforts in South Florida. The multiagency efforts to develop and apply models have allowed the agencies to understand the complex hydrologic interactions, quantify appropriate performance measures, and use new technologies in simulation algorithms, software development, and GIS/database techniques to meet the future modeling needs of the ecosystem restoration programs.

MODFLOW-Based Coupled Surface Water Routing and Groundwater-Flow Simulation.

In this paper, we present a flexible approach for simulating one- and two-dimensional routing of surface water using a numerical surface water routing (SWR) code implicitly coupled to the groundwater-flow process in MODFLOW. Surface water routing in SWR can be simulated using a diffusive-wave approximation of the Saint-Venant equations and/or a simplified level-pool approach. SWR can account for surface water flow controlled by backwater conditions caused by small water-surface gradients or surface water control structures. A number of typical surface water control structures, such as culverts, weirs, and gates, can be represented, and it is possible to implement operational rules to manage surface water stages and streamflow. The nonlinear system of surface water flow equations formulated in SWR is solved by using Newton methods and direct or iterative solvers. SWR was tested by simulating the (1) Lal axisymmetric overland flow, (2) V-catchment, and (3) modified Pinder-Sauer problems. Simulated results for these problems compare well with other published results and indicate that SWR provides accurate results for surface water-only and coupled surface water/groundwater problems. Results for an application of SWR and MODFLOW to the Snapper Creek area of Miami-Dade County, Florida, USA are also presented and demonstrate the value of coupled surface water and groundwater simulation in managed, low-relief coastal settings.