An Electron-Balance Based Approach to Predict the Decreasing Denitrification Potential of an Aquifer

Numerical models for reactive transport can be used to estimate the breakthrough of a contaminant in a pumping well or at other receptors. However, as natural aquifers are highly heterogeneous with unknown spatial details, reactive transport predictions on the aquifer scale require a stochastic framework for uncertainty analysis. The high computational demand of spatially explicit reactive-transport models hampers such analysis, thus motivating the search for simplified estimation tools. We suggest performing an electron balance between the reactants in the infiltrating solution and in the aquifer matrix to obtain the hypothetical time of dissolved-reactant breakthrough at a receptor if the reaction with the matrix was instantaneous. This time we denote as the advective breakthrough time for instantaneous reaction (τ_inst ). It depends on the amount of the reaction partner present in the matrix, the mass flux of the dissolved reactant, and the stoichiometry. While the shape of the reactive-species breakthrough curve depends on various kinetic parameters, the overall timing scales with τ_inst . We calculate the latter by particle tracking. The effort of computing τ_inst is so low that stochastic calculations become feasible. We apply the concept to a two-dimensional test case of aerobic respiration and denitrification. A detailed spatially explicit reactive-transport model includes microbial dynamics. Scaling the time of local breakthrough curves observed at individual points by τ_inst decreased the variability of electron-donor breakthrough curves significantly. We conclude that the advective breakthrough time for instantaneous reaction is efficient in estimating the time over which an aquifer retains its degradation potential.     

Field Study of Subsurface Heterogeneity with Steady‐State Hydraulic Tomography

Remediation of subsurface contamination requires an understanding of the contaminant (history, source location, plume extent and concentration, etc.), and, knowledge of the spatial distribution of hydraulic conductivity (K) that governs groundwater flow and solute transport. Many methods exist for characterizing K heterogeneity, but most if not all methods require the collection of a large number of small‐scale data and its interpolation. In this study, we conduct a hydraulic tomography survey at a highly heterogeneous glaciofluvial deposit at the North Campus Research Site (NCRS) located at the University of Waterloo, Waterloo, Ontario, Canada to sequentially interpret four pumping tests using the steady‐state form of the Sequential Successive Linear Estimator (SSLE) ( Yeh and Liu 2000 ). The resulting three‐dimensional (3D) K distribution (or K‐tomogram) is compared against: ( 1 ) K distributions obtained through the inverse modeling of individual pumping tests using SSLE, and ( 2 ) effective hydraulic conductivity (K_eff) estimates obtained by automatically calibrating a groundwater flow model while treating the medium to be homogeneous. Such a K_eff is often used for designing remediation operations, and thus is used as the basis for comparison with the K‐tomogram. Our results clearly show that hydraulic tomography is superior to the inversions of single pumping tests or K_eff estimates. This is particularly significant for contaminated sites where an accurate representation of the flow field is critical for simulating contaminant transport and injection of chemical and biological agents used for active remediation of contaminant source zones and plumes.     

Point-to-point connectivity,an abstract concept or a key issue for risk assessment studies?

Connectivity of high/low-permeability areas has been recognized to significantly impact groundwater flow and solute transport. The task of defining a rigorous quantitative measure of connectivity for continuous variables has failed so far, and thus there exist a suite of connectivity indicators which are dependent on the specific hydrodynamic processes and the interpretation method. Amongst the many existing indicators, we concentrate on those characterizing connectivity between the points involved in a hydraulic or tracer test. The flow connectivity indicator used here is based on the time elapsed for hydraulic response in a pumping test (e.g., the storage coefficient estimated by the Cooper–Jacob method, S_est). Regarding transport, we select the estimated porosity from the breakthrough curve (_est). According to Knudby and Carrera [Knudby C, Carrera J. On the relationship between indicators of geostatistical, flow and transport connectivity. Adv Water Resour 2005;28(4):405–21] these two indicators measure connectivity differently, and are poorly correlated. Here, we use perturbation theory to analytically investigate the intrinsic relationship between S_est and _est. We find that _est can be expressed as a weighted line integral along the particle trajectory involving two parameters: the transmissivity point values, T, and the estimated values of S_est along the particle path. The weighting function is linear with the distance from the pumping well, thus the influence of the weighting function is maximum at the injection area, whereas the hydraulic information close to the pumping well becomes redundant (null weight). The relative importance of these two factors is explored using numerical simulations in a given synthetic aquifer and tested against intermediate-scale laboratory tracer experiments. We conclude that the degree of connectivity between two points of an aquifer (point-to-point connectivity) is a key issue for risk assessment studies aimed at predicting the travel time of a potential contaminant.     

A Joint Analytic Method for Estimating Aquitard Hydraulic Parameters

The vertical hydraulic conductivity (K_v), elastic (S_ske), and inelastic (S_skv) skeletal specific storage of aquitards are three of the most critical parameters in land subsidence investigations. Two new analytic methods are proposed to estimate the three parameters. The first analytic method is based on a new concept of delay time ratio for estimating K_v and S_ske of an aquitard subject to long‐term stable, cyclic hydraulic head changes at boundaries. The second analytic method estimates the S_skv of the aquitard subject to linearly declining hydraulic heads at boundaries. Both methods are based on analytical solutions for flow within the aquitard, and they are jointly employed to obtain the three parameter estimates. This joint analytic method is applied to estimate the K_v, S_ske, and S_skv of a 34.54‐m thick aquitard for which the deformation progress has been recorded by an extensometer located in Shanghai, China. The estimated results are then calibrated by PEST (Doherty 2005), a parameter estimation code coupled with a one‐dimensional aquitard‐drainage model. The K_v and S_ske estimated by the joint analytic method are quite close to those estimated via inverse modeling and performed much better in simulating elastic deformation than the estimates obtained from the stress‐strain diagram method of Ye and Xue (2005). The newly proposed joint analytic method is an effective tool that provides reasonable initial values for calibrating land subsidence models.     

Effects of uncertainty of lithofacies, conductivity and porosity distributions on stochastic interpretations of a field scale tracer test

We investigate the importance of selecting two different methodologies for the determination of hydraulic conductivity from available grain-size distributions on the stochastic modeling of the depth-averaged breakthrough curve observed during a forced-gradient tracer test experiment. The latter was performed in the Lauswiesen alluvial aquifer, located near the city of Tübingen, Germany, by injecting NaBr into a well at a distance of about 50 m from a pumping well. We also examine the joint effect of the choice of the transport model adopted to describe solute transport at the site and the way the spatial distribution of porosity is assessed. In the absence of direct measurements of porosity, we consider: (a) the model used by Riva et al. (J Contam Hydrol 88:92–118, 2006; J Contam Hydrol 101:1–13, 2008), which relates the natural logarithms of effective porosity and conductivity through an empirical, experimentally-based, linear relationship derived for a nearby experimental site; and (b) a model based on a commonly used relationship linking the total porosity to the coefficient of uniformity of grain size distributions. Transport is described in terms of a purely advective process and/or by including mass exchange processes between mobile and immobile regions. Modeling of flow and transport is performed within a Monte Carlo framework, upon conceptualizing the aquifer as a random composite medium. Our results indicate that the model adopted to describe the correlation between conductivity and porosity and the way grain-sieve information are incorporated to depict the heterogeneous distribution of hydraulic conductivity can have relevant effects in the interpretation of the data at the site. All the conceptual models employed to describe the structural heterogeneity of the system and transport features can reasonably reproduce the global characteristics of the experimental depth-averaged breakthrough curve. Specific details, such as the peak concentration and the time of first arrival, can be better reproduced by a double porosity transport model when a correlation between conductivity and porosity based on grain size information at the site is considered. The best prediction of the late-time behavior of the measured breakthrough curves, in terms of the observed heavy tailing, is offered by directly linking porosity distribution to the spatial variability of particle size information.     

Field Tracer Test for the Design of LNAPL Source Zone Surfactant Flushing

A field tracer test was carried out in a light nonaqueous phase liquid (LNAPL) source zone using a well pattern consisting of one injection well surrounded by four extraction wells (5‐spot well pattern). Multilevel sampling was carried out in two observation wells located inside the test cell characterized by heterogeneous lithology. Tracer breakthrough curves showed relatively uniform flow within soil layers. A numerical flow and solute transport model was calibrated on hydraulic heads and tracer breakthrough curves. The model was used to estimate an average accessible porosity of 0.115 for the swept zone and an average longitudinal dispersivity of 0.55 m. The model was further used to optimize the relative effects of viscous forces versus capillary forces under realistic imposed hydraulic gradients and to establish optimal surfactant solution properties. Maximum capillary number (N_Ca) values between injection and extraction wells were obtained for an injection flow rate of 16 L/min, a total extraction flow rate of 20 L/min, and a surfactant solution with a viscosity of 0.005 Pa?s. The unconfined nature of the aquifer limited further flow rate or viscosity increases that would have led to unrealistic hydraulic gradients. An N_Ca range of 3.8 × 10^?4 to 7.6 × 10^?3 was obtained depending on the magnitude of the simulated LNAPL‐water interfacial tension reduction. Finally, surfactant and chase water slug sizing was optimized with a radial form of the simplified Ogata‐Banks analytical solution (Ogata and Banks 1961) so that injected concentrations could be maintained in the entire 5‐spot cell.     

Can Contaminant Transport Models Predict Breakthrough?

A solute breakthrough curve measured during a two-well tracer test was successfully predicted in 1986 using specialized contaminant transport models. Water was injected into a confined, unconsolidated sand aquifer and pumped out 125 feet (38.3 m) away at the same steady rate. The injected water was spiked with bromide for over three days; the outflow concentration was monitored for a month. Based on previous tests, the horizontal hydraulic conductivity of the thick aquifer varied by a factor of seven among 12 layers. Assuming stratified flow with small dispersivities, two research groups accurately predicted breakthrough with three-dimensional (12-layer) models using curvilinear elements following the arc-shaped flowlines in this test.
Can contaminant transport models commonly used in industry, that use rectangular blocks, also reproduce this breakthrough curve? The two-well test was simulated with four MODFLOW-based models, MT3D (FD and HMOC options), MODFLOWT, MOC3D, and MODFLOW-SURFACT.
Using the same 12 layers and small dispersivity used in the successful 1986 simulations, these models fit almost as accurately as the models using curvilinear blocks. Subtle variations in the curves illustrate differences among the codes. Sensitivities of the results to number and size of grid blocks, number of layers, boundary conditions, and values of dispersivity and porosity are briefly presented. The fit between calculated and measured breakthrough curves degenerated as the number of layers and/or grid blocks decreased, reflecting a loss of model predictive power as the level of characterization lessened. Therefore, the breakthrough curve for most field sites can be predicted only qualitatively due to limited characterization of the hydrogeology and contaminant source strength.     

Hydromechanical Heterogeneities of a Mature Fault Zone: Impacts on Fluid Flow

In this paper, fluid flow is examined for a mature strike‐slip fault zone with anisotropic permeability and internal heterogeneity. The hydraulic properties of the fault zone were first characterized in situ by microgeophysical (V_P and σ_c) and rock‐quality measurements (Q‐value) performed along a 50‐m long profile perpendicular to the fault zone. Then, the local hydrogeological context of the fault was modified to conduct a water‐injection test. The resulting fluid pressures and flow rates through the different fault‐zone compartments were then analyzed with a two‐phase fluid‐flow numerical simulation. Fault hydraulic properties estimated from the injection test signals were compared to the properties estimated from the multiscale geological approach. We found that (1) the microgeophysical measurements that we made yield valuable information on the porosity and the specific storage coefficient within the fault zone and (2) the Q‐value method highlights significant contrasts in permeability. Fault hydrodynamic behavior can be modeled by a permeability tensor rotation across the fault zone and by a storativity increase. The permeability tensor rotation is linked to the modification of the preexisting fracture properties and to the development of new fractures during the faulting process, whereas the storativity increase results from the development of micro‐ and macrofractures that lower the fault‐zone stiffness and allows an increased extension of the pore space within the fault damage zone. Finally, heterogeneities internal to the fault zones create complex patterns of fluid flow that reflect the connections of paths with contrasting properties.     

A coupled one‐dimensional viscoelastic–plastic model for aquitard consolidation caused by hydraulic head variations in aquifers

Accurate and practical calculation of aquitard consolidation is required for a reliable analysis of land subsidence caused by groundwater overexploitation in a multilayered aquifer system because aquitards are generally more compressible than aquifers are. This study proposes a coupled one‐dimensional viscoelastic–plastic consolidation model that considers the combined effect of changes in soil parameters and body force to simulate aquitard consolidation caused by hydraulic head variations in neighbouring aquifers. The proposed model uses variable total stress and simultaneously solves hydraulic head and vertical soil displacement. The constitutive relation based on the Voigt model with different elastic moduli of the spring in normally consolidated and overconsolidated soils is used to describe the viscoelastic–plastic deformation mechanism of aquitards. In addition, the proposed model considers the combined effect of variations in hydraulic conductivity, elastic moduli, and body force on the calculation of aquitard consolidation. Three hypothetical scenarios with various hydraulic head variations in aquifers are used to examine the coupled one‐dimensional viscoelastic–plastic consolidation model. The results show that neglecting plasticity and viscosity of soil causes aquitard consolidation to be respectively underestimated and overestimated. In addition, ignoring body force variation underestimates aquitard consolidation, whereas neglecting soil parameters variation overestimates aquitard consolidation. Two real case scenarios are also studied to further demonstrate the applicability of the coupled one‐dimensional viscoelastic–plastic consolidation model. Copyright © 2015 John Wiley & Sons, Ltd.     

Are Visible Fractures Accurate Predictors of Flow and Mass Transport in Fractured Till?

Tracer experiments conducted in the laboratory on undisturbed core samples (<7.3-cm-diameter) have been a standard method for estimating hydraulic and transport properties of fractured till since the 1980s. This study assesses the relationship between visible fractures on the top and bottom of core samples and the resulting hydraulic and mass transport properties of the core. We hypothesized that more visible fractures would indicate the presence of a well-connected fracture network, leading to greater hydraulic conductivity (K) values and earlier chemical breakthrough times. To test this hypothesis, water flow and bromide (Br-) tracer experiments were performed on 10, 16-cm diameter, 16-cm-tall samples of fractured Dows Formation till from central Iowa. Visually identifiable fractures were present on the top and bottom of every sample. Results indicate that the visual identification of fractures does not predict a connected fracture network, as some samples produced breakthrough curves showing rapid first arrival times and shapes characteristic of solute transport in a fractured medium, while others appeared similar to an unfractured medium. No correlation was found between the number of visible fractures and K (Pearson's r = 0.25), or Br- first arrival time (r = −0.33), but a strong negative correlation between K and first arrival time (r = −0.92). Results indicate that the sample volume was not large enough to reliably contain a connected fracture network. Thus, testing large volumes of till at the field scale coupled with fracture-flow modeling likely represents the best approach for estimating hydraulic and mass transport properties for fractured till.     

Modeling plume behavior for nonlinearly sorbing solutes in saturated homogeneous porous media

Transport of a sorbing solute in a two-dimensional steady and uniform flow field is modeled using a particle tracking random walk method. The solute is initially introduced from an instantaneous point source. Cases of linear and nonlinear sorption isotherms are considered. Local pore velocity and mechanical dispersion are used to describe the solute transport mechanisms at the local scale. The numerical simulation of solute particle transport yields the large scale behavior of the solute plume. Behavior of the plume is quantified in terms of the center-of-mass displacement distance, relative velocity of the center-of-mass, mass breakthrough curves, spread variance, and longitudinal skewness. The nonlinear sorption isotherm affects the plume behavior in the following way relative to the linear isotherm: (1) the plume velocity decreases exponentially with time; (2) the longitudinal variance increases nonlinearly with time; (3) the solute front is steepened and tailing is enhanced     

The effect of riparian land use on transport hydraulics in agricultural headwater streams located in northeast Ohio,USA

This study examined if riparian land use (forested vs agricultural) affects hydraulic transport in headwater streams located in an agriculturally fragmented watershed. We identified paired 50‐m reaches (one reach in agricultural land use and the other in forested land use) along three headwater streams in the Upper Sugar Creek Watershed in northeast Ohio, USA (40° 51′42″N, 81° 50′29″W). Using breakthrough curves obtained by Rhodamine WT slug injections and the one‐dimensional transport with inflow and storage model (OTIS), hydraulic transport parameters were obtained for each reach on six different occasions (n = 36). Relative transient storage (A_S:A) was similar between both reach types (As: A = 0·3 ± 0·1 for both agricultural and forested reaches). Comparing values of F_med²⁰⁰ to those in the literature indicates that the effect of transient storage was moderately high in the study streams in the Upper Sugar Creek Watershed. Examining travel times revealed that overall residence time (HRT) and residence time in transient storage (T_STO) were both longer in forested reaches (forested HRT = 19·1 ± 11·5 min and T_STO = 4·0 ± 3·8 min; agricultural HRT = 9·3 ± 5·3 min and T_STO = 1·7 ± 1·4 min). We concluded that the effect of transient storage on solute transport was similar between the forested and agricultural reaches but the forested reaches had a greater potential to retain solutes as a result of longer travel times. Copyright © 2009 John Wiley & Sons, Ltd.     

High frequency stream bed mobility of a low‐gradient agricultural stream with implications on the hyporheic zone

Little Kickapoo Creek (LKC), a low‐gradient stream, mobilizes its streambed–fundamentally altering its near‐surface hyporheic zone–more frequently than do higher‐gradient mountain and karst streams. LKC streambed mobility was assessed through streambed surveys, sediment sampling, and theoretical calculations comparing basal shear stress (τ_b) with critical shear stress (τ_c). Baseflow τ_b is capable of entraining a d₅₀ particle; bankfull flow could entrain a 51·2 mm particle. No particle that large occurs in the top 30 cm of the substrate, suggesting that the top 30 cm of the substrate is mobilized and redistributed during bankfull events. Bankfull events occur on average every 7·6 months; flows capable of entraining d₅₀ and d₈₅ particles occur on average every 0·85 and 2·1 months, respectively. Streambed surveys verify streambed mobility at conditions below bankfull. While higher gradient streams have higher potential energy than LKC, they achieve streambed‐mobilization thresholds less frequently. Heterogeneous sediment redistribution creates an environment where substrate hydraulic conductivity (K) varies over four orders of magnitude. The frequency and magnitude of the substrate entrainment has implications on hyporheic zone function in fluid, solute and thermal transport models, interpretations of hyporheic zone stability, and understanding of LKC's aquatic ecosystem. Copyright © 2008 John Wiley & Sons, Ltd.     

Changes in Entrapped Gas Content and Hydraulic Conductivity with Pressure

Water table fluctuations continuously introduce entrapped air bubbles into the otherwise saturated capillary fringe and groundwater zone, which reduces the effective (quasi‐saturated) hydraulic conductivity, K_quasi, thus impacting groundwater flow, aquifer recharge and solute and contaminant transport. These entrapped gases will be susceptible to compression or expansion with changes in water pressure, as would be expected with water table (and barometric pressure) fluctuations. Here we undertake laboratory experiments using sand‐packed columns to quantify the effect of water table changes of up to 250 cm on the entrapped gas content and the quasi‐saturated hydraulic conductivity, and discuss our ability to account for these mechanisms in ground water models. Initial entrapped air contents ranged between 0.080 and 0.158, with a corresponding K_quasi ranging between 2 and 6 times lower compared to the K_s value. The application of 250 cm of water pressure caused an 18% to 26% reduction in the entrapped air content, resulting in an increase in K_quasi by 1.16 to 1.57 times compared to its initial (0 cm water pressure) value. The change in entrapped air content measured at pressure step intervals of 50 cm, was essentially linear, and could be modeled according to the ideal gas law. Meanwhile, the changes in K_quasi with compression–expansion of the bubbles because of pressure changes could be adequately captured with several current hydraulic conductivity models.     

Vertical heterogeneities of hydraulic aquitard parameters: preliminary results from laboratory and in situ monitoring

Abstract

A borehole is developed in a shallow multi-layered aquifer and used to derive the porosity, specific storage and hydraulic conductivity of the aquitard. Local values of hydrodynamical parameters are estimated from petrophysical analysis of core samples, and the empirical relationship between porosity and permeability. Vertical diffusivity is determined from the response of the aquitard to a loading cyclic signal using pressure records at different depths. Hydraulic conductivities deduced from the petrophysical analysis ranged from 10^?8 to 10^?10 m s^?1 and are comparable with those of facies of marine/lacustrine clay observed in samples. The permeability values calculated based on diffusivity are within the range 10^?9 to 10^?11 m s^?1 with a quasi-systematic bias of one order of magnitude. These values are average for a larger part of the aquitard and correspond to an integrated value. The methodology retained for the aquitard characterization is discussed with emphasis on the implications for the management of a complex aquifer system.

Citation Larroque, F., Cabaret, O., Atteia, O., Dupuy, A., and Franceschi, M., 2013. Vertical heterogeneities of hydraulic aquitard parameters: preliminary results from laboratory and in situ monitoring. Hydrological Sciences Journal, 58 (4), 912–929.     

Analysis of Cryptosporidium parvum oocyst transport in porous media

Cryptosporidium parvum is a protozoan parasite, transmitted through aqueous environments in the form of an oocyst. In this study, a transport model into which sorption, filtration and inactivation mechanisms are incorporated is applied to simulate laboratory column data, and the suitability of a kinetic model to describe the C. parvum oocyst transport and removal in porous media is compared with an equilibrium model. The kinetic model is applied to simulate previous column experimental data and successfully simulates the concentration peak; the late time tailing effect appeared in the breakthrough curves, indicating that the kinetic model is more suitable than the equilibrium one at simulating the fate and transport of the oocysts in porous media. Simulation illustrates that sorption causes retardation along with a tailing in the breakthrough curve. Additionally, filtration acts as a major mechanism of removing the oocysts from the aqueous phase, whereas the role of inactivation in reducing the viable oocyst concentration is minimal. Copyright © 2004 John Wiley & Sons, Ltd.     

A numerical method of moments for solute transport in physically and chemically nonstationary formations: linear equilibrium sorption with random K<Subscript>d</Subscript>

A Lagrangian perturbation method is applied to develop a method of moments for solute flux through a three-dimensional nonstationary flow field. The flow nonstationarity stems from medium nonstationarity and internal and external boundaries of the study domain. The solute flux is described as a space-time process where time refers to the solute flux breakthrough through a control plane (CP) at some distance downstream of the solute source and space refers to the transverse displacement distribution at the CP. The analytically derived moment equations for solute transport in a nonstationarity flow field are too complicated to solve analytically, a numerical finite difference method is implemented to obtain the solutions. This approach combines the stochastic model with the flexibility of the numerical method to boundary and initial conditions. The developed method is applied to study the effects of heterogeneity and nonstationarity of the hydraulic conductivity and chemical sorption coefficient on solute transport. The study results indicate all these factors will significantly influence the mean and variance of solute flux.     

Uncertainty propagation of hydrodispersive transfer in an aquifer: an illustration of one-dimensional contaminant transport with slug injection

It is evident that the hydrodynamic dispersion coefficient and linear flow velocity dominate solute transport in aquifers. Both of them play important roles characterizing contaminant transport. However, by definition, the parameter of contaminant transport cannot be measured directly. For most problems of contaminant transport, a conceptual model for solute transport generally is established to fit the breakthrough curve obtained from field testing, and then suitable curve matching or the inverse solution of a theoretical model is used to determine the parameter. This study presents a one-dimensional solute transport problem for slug injection. Differential analysis is used to analyze uncertainty propagation, which is described by the variance and mean. The uncertainties of linear velocity and hydrodynamic dispersion coefficient are, respectively, characterized by the second-power and fourth-power of the length scale multiplied by a lumped relationship of variance and covariance of system parameters, i.e. the Peclet number and arrival time of maximum concentration. To validate the applicability for evaluating variance propagation in one-dimensional solute transport, two cases using field data are presented to demonstrate how parametric uncertainty can be caught depending on the manner of sampling.