Richard W. Healy

Chamber measurement of surface-atmosphere trace gas exchange: Numerical evaluation of dependence on soil, interfacial layer, and source/sink properties

We employed a three-dimensional finite difference gas diffusion model to simulate the performance of chambers used to measure surface-atmosphere trace gas exchange. We found that systematic errors often result from conventional chamber design and deployment protocols, as well as key assumptions behind the estimation of trace gas exchange rates from observed concentration data. Specifically, our simulations showed that (1) when a chamber significantly alters atmospheric mixing processes operating near the soil surface, it also nearly instantaneously enhances or suppresses the postdeployment gas exchange rate, (2) any change resulting in greater soil gas diffusivity, or greater partitioning of the diffusing gas to solid or liquid soil fractions, increases the potential for chamber-induced measurement error, and (3) all such errors are independent of the magnitude, kinetics, and/or distribution of trace gas sources, but greater for trace gas sinks with the same initial absolute flux. Finally, and most importantly, we found that our results apply to steady state as well as non-steady-state chambers, because the slow rate of gas diffusion in soil inhibits recovery of the former from their initial non-steady-state condition. Over a range of representative conditions, the error in steady state chamber estimates of the trace gas flux varied from −30 to +32%, while estimates computed by linear regression from non-steady-state chamber concentrations were 2 to 31% too small. Although such errors are relatively small in comparison to the temporal and spatial variability characteristic of trace gas exchange, they bias the summary statistics for each experiment as well as larger scale trace gas flux estimates based on them.

Numerical investigation of steady liquid water flow in a variably saturated fracture network

Numerical simulation was used to study steady liquid water movement in a 5-m by 5-m vertical section containing a hypothetical fracture network under conditions of variable saturation. The fracture network was assumed to be embedded within an impermeable rock matrix. Three variations of a network were considered. The “mixed” network consisted of two fracture sets, a subvertical set containing five 125 μm average aperture fractures and a subhorizontal set containing four 25 μm average aperture fractures. The other two networks had identical fracture orientation and contained either all 125 μm or all 25 μm average aperture fractures. The TOUGH simulator was used to calculate the total steady liquid water flux through the network, the flux through individual fracture segments, and the pressure head at each fracture segment. A unit hydraulic gradient was imposed on the network by applying fixed pressure head boundaries (ranging from −0.25 to 0.0 m of water) of equal value to the top and bottom. Saturation and permeability versus pressure head relations for the two sets of fractures were determined with the VSFRAC model, which assumed that aperture was variable within an individual fracture. Results showed that the spatial distributions of pressure head and flux within the network, as well as the location of the dominant pathways, depended strongly on the prescribed boundary pressure head. For the mixed network, both pressure head and flux tended to become more spatially uniform when the boundary pressure head approached the pressure head at which the permeability thickness products of the large- and small-aperture fractures are equal (the crossover pressure head). These results imply that for systems similar to the one considered here, interpretation of actual measurements of pressure head and flux may be quite complex, and that representation of variably saturated fracture networks as an equivalent continuum may be more valid for some ranges in pressure head than for others. Equivalent permeability as a function of pressure head was calculated for the fracture network, illustrating how information collected on individual fractures may be used to estimate the flow properties of rock at larger scales.

Solution of the advection-dispersion equation in two dimensions by a finite-volume Eulerian-Lagrangian localized adjoint method

We extend the finite-volume Eulerian-Lagrangian localized adjoint method (FVELLAM) for solution of the advection-dispersion equation to two dimensions. The method can conserve mass globally and is not limited by restrictions on the size of the grid Peclet or Courant number. Therefore, it is well suited for solution of advection-dominated ground-water solute transport problems. In test problem comparisons with standard finite differences, FVELLAM is able to attain accurate solutions on much coarser space and time grids. On fine grids, the accuracy of the two methods is comparable. A critical aspect of FVELLAM (and all other ELLAMs) is evaluation of the mass storage integral from the preceding time level. In FVELLAM this may be accomplished with either a forward or backtracking approach. The forward tracking approach conserves mass globally and is the preferred approach. The backtracking approach is less computationally intensive, but not globally mass conservative. Boundary terms are systematically represented as integrals in space and time which are evaluated by a common integration scheme in conjunction with forward tracking through time. Unlike the one-dimensional case, local mass conservation cannot be guaranteed, so slight oscillations in concentration can develop, particularly in the vicinity of inflow or outflow boundaries.

Water movement within the unsaturated zone in four agricultural areas of the United States.

Millions of tons of agricultural fertilizer and pesticides are applied annually in the USA. Due to the potential for these chemicals to migrate to groundwater, a study was conducted in 2004 using field data to calculate water budgets, rates of groundwater recharge and times of water travel through the unsaturated zone and to identify factors that influence these phenomena. Precipitation was the only water input at sites in Indiana and Maryland; irrigation accounted for about 80% of total water input at sites in California and Washington. Recharge at the Indiana site (47.5 cm) and at the Maryland site (31.5 cm) were equivalent to 51 and 32%, respectively, of annual precipitation and occurred between growing seasons. Recharge at the California site (42.3 cm) and Washington site (11.9 cm) occurred in response to irrigation events and was about 29 and 13% of total water input, respectively. Average residence time of water in the unsaturated zone, calculated using a piston-flow approach, ranged from less than 1 yr at the Indiana site to more than 8 yr at the Washington site. Results of bromide tracer tests indicate that at three of the four sites, a fraction of the water applied at land surface may have traveled to the water table in less than 1 yr. The timing and intensity of precipitation and irrigation were the dominant factors controlling recharge, suggesting that the time of the year at which chemicals are applied may be important for chemical transport through the unsaturated zone.

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.

Variations in Pesticide Leaching Related to Land Use, Pesticide Properties, and Unsaturated Zone Thickness

Pesticide leaching through variably thick soils beneath agricultural fields in Morgan Creek, Maryland was simulated for water years 1995 to 2004 using LEACHM (Leaching Estimation and Chemistry Model). Fifteen individual models were constructed to simulate five depths and three crop rotations with associated pesticide applications. Unsaturated zone thickness averaged 4.7 m but reached a maximum of 18.7 m. Average annual recharge to ground water decreased from 15.9 to 11.1 cm as the unsaturated zone increased in thickness from 1 to 10 m. These point estimates of recharge are at the lower end of previously published values, which used methods that integrate over larger areas capturing focused recharge in the numerous detention ponds in the watershed. The total amount of applied and leached masses for five parent pesticide compounds and seven metabolites were estimated for the 32-km2 Morgan Creek watershed by associating each hectare to the closest one-dimensional model analog of model depth and crop rotation scenario as determined from land-use surveys. LEACHM parameters were set such that branched, serial, first-order decay of pesticides and metabolites was realistically simulated. Leaching is predicted to be greatest for shallow soils and for persistent compounds with low sorptivity. Based on simulation results, percent parent compounds leached within the watershed can be described by a regression model of the form e(-depth) (a ln t1/2-b ln K OC) where t1/2 is the degradation half-life in aerobic soils, K OC is the organic carbon normalized sorption coefficient, and a and b are fitted coefficients (R2 = 0.86, p value = 7 x 10(-9)).

1DTempPro V2: New Features for Inferring Groundwater/Surface-Water Exchange

A new version of the computer program 1DTempPro extends the original code to include new capabilities for (1) automated parameter estimation, (2) layer heterogeneity, and (3) time-varying specific discharge. The code serves as an interface to the U.S. Geological Survey model VS2DH and supports analysis of vertical one-dimensional temperature profiles under saturated flow conditions to assess groundwater/surface-water exchange and estimate hydraulic conductivity for cases where hydraulic head is known.

Seepage through a hazardous-waste trench cover

Abstract Water movement through a waste-trench cover under natural conditions at a low-level radioactive waste disposal site in northwestern Illinois was studied from July 1982 to June 1984, using tensiometers, a moisture probe, and meteorological instruments. Four methods were used to estimate seepage: the Darcy, zero-flux plane, surface-based water-budget, and groundwater-based water-budget methods. Annual seepage estimates ranged from 48 to 216 mm (5–23% of total precipitation), with most seepage occurring in spring. The Darcy method, although limited in accuracy by uncertainty in hydraulic conductivity, was capable of discretizing seepage in space and time and indicated that seepage varied by almost an order of magnitude across the width of the trench. Lowest seepage rates occurred near the center of the cover, where seepage was gradual. Highest rates occurred along the edge of the cover, where seepage was highly episodic, with 84% of the total there being traced to wetting fronts from 28 individual storms. Limitations of the zero-flux-plane method were severe enough for the method to be judged inappropriate for use in this study.

VS2DRTI: Simulating Heat and Reactive Solute Transport in Variably Saturated Porous Media: R.W. Healy et al. Groundwater xx, no. x: xx-xx

Variably saturated groundwater flow, heat transport, and solute transport are important processes in environmental phenomena, such as the natural evolution of water chemistry of aquifers and streams, the storage of radioactive waste in a geologic repository, the contamination of water resources from acid-rock drainage, and the geologic sequestration of carbon dioxide. Up to now, our ability to simulate these processes simultaneously with fully coupled reactive transport models has been limited to complex and often difficult-to-use models. To address the need for a simple and easy-to-use model, the VS2DRTI software package has been developed for simulating water flow, heat transport, and reactive solute transport through variably saturated porous media. The underlying numerical model, VS2DRT, was created by coupling the flow and transport capabilities of the VS2DT and VS2DH models with the equilibrium and kinetic reaction capabilities of PhreeqcRM. Flow capabilities include two-dimensional, constant-density, variably saturated flow; transport capabilities include both heat and multicomponent solute transport; and the reaction capabilities are a complete implementation of geochemical reactions of PHREEQC. The graphical user interface includes a preprocessor for building simulations and a postprocessor for visual display of simulation results. To demonstrate the simulation of multiple processes, the model is applied to a hypothetical example of injection of heated waste water to an aquifer with temperature-dependent cation exchange. VS2DRTI is freely available public domain software.

Estimating Groundwater Recharge: Water-budget methods

Introduction A water budget is an accounting of water movement into and out of, and storage change within, some control volume. Universal and adaptable are adjectives that reflect key features of water-budget methods for estimating recharge. The universal concept of mass conservation of water implies that water-budget methods are applicable over any space and time scales (Healy et al ., 2007). The water budget of a soil column in a laboratory can be studied at scales of millimeters and seconds. A water-budget equation is also an integral component of atmospheric general circulation models used to predict global climates over periods of decades or more. Water-budget equations can be easily customized by adding or removing terms to accurately portray the peculiarities of any hydrologic system. The equations are generally not bound by assumptions on mechanisms by which water moves into, through, and out of the control volume of interest. So water-budget methods can be used to estimate both diffuse and focused recharge, and recharge estimates are unaffected by phenomena such as preferential flow paths within the unsaturated zone. Water-budget methods represent the largest class of techniques for estimating recharge. Most hydrologic models are derived from a water-budget equation and can therefore be classified as water-budget models. It is not feasible to address all water-budget methods in a single chapter. This chapter is limited to discussion of the “residual” water-budget approach, whereby all variables in a water-budget equation, except for recharge, are independently measured or estimated and recharge is set equal to the residual. This chapter is closely linked with Chapter 3, on modeling methods, because the equations presented here form the basis of many models and because models are often used to estimate individual components in water-budget studies. Water budgets for streams and other surface-water bodies are addressed in Chapter 4. The use of soil-water budgets and lysimeters for determining potential recharge and evapotranspiration from changes in water storage is discussed in Chapter 5. Aquifer water-budget methods based on the measurement of groundwater levels are described in Chapter 6.