共查询到20条相似文献，搜索用时 31 毫秒
1.
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 (τinst ). 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 τinst . We calculate the latter by particle tracking. The effort of computing τinst 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 τinst 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. 相似文献
2.
A methodology for transport upscaling of three-dimensional highly heterogeneous formations is developed and demonstrated. The overall approach requires a prior hydraulic conductivity upscaling using an interblock-centered full-tensor Laplacian-with-skin method followed by transport upscaling. The coarse scale transport equation includes a multi-rate mass transfer term to compensate for the loss of heterogeneity inherent to all upscaling processes. The upscaling procedures for flow and transport are described in detail and then applied to a three-dimensional highly heterogeneous synthetic example. The proposed approach not only reproduces flow and transport at the coarse scale, but it also reproduces the uncertainty associated with the predictions as measured by the ensemble variability of the breakthrough curves. 相似文献
3.
Alternative fractional models of contaminant transport lead to a new travel time formula for arbitrary concentration levels. For an evolving contaminant plume in a highly heterogeneous aquifer, the new formula predicts much earlier arrival at low concentrations. Travel times of contaminant fronts and plumes are often obtained from Darcy's law calculations using estimates of average pore velocities. These estimates only provide information about the travel time of the average concentration (or peak, for contaminant pulses). Recently, it has been shown that finding the travel times of arbitrary concentration levels is a straightforward process, and equations were developed for other portions of the breakthrough curve for a nonreactive contaminant. In this paper, we generalize those equations to include alternative fractional models of contaminant transport. 相似文献
4.
This pore-scale modeling study in saturated porous media shows that compound-specific effects are important not only at steady-state and for the lateral displacement of solutes with different diffusivities but also for transient transport and solute breakthrough. We performed flow and transport simulations in two-dimensional pore-scale domains with different arrangement of the solid grains leading to distinct characteristics of flow variability and connectivity, representing mildly and highly heterogeneous porous media, respectively. The results obtained for a range of average velocities representative of groundwater flow (0.1–10 m/day), show significant effects of aqueous diffusion on solute breakthrough curves. However, the magnitude of such effects can be masked by the flux-averaging approach used to measure solute breakthrough and can hinder the correct interpretation of the true dilution of different solutes. We propose, as a metric of mixing, a transient flux-related dilution index that allows quantifying the evolution of solute dilution at a given position along the main flow direction. For the different solute transport scenarios we obtained dilution breakthrough curves that complement and add important information to traditional solute breakthrough curves. Such dilution breakthrough curves allow capturing the compound-specific mixing of the different solutes and provide useful insights on the interplay between advective and diffusive processes, mass transfer limitations, and incomplete mixing in the heterogeneous pore-scale domains. The quantification of dilution for conservative solutes is in good agreement with the outcomes of mixing-controlled reactive transport simulations, in which the mass and concentration breakthrough curves of the product of an instantaneous transformation of two initially segregated reactants were used as measures of reactive mixing. 相似文献
5.
6.
《Advances in water resources》2001,24(6):607-619
Solute discharge moments (mean and variance) are computed using numerical modeling of flow and advective transport in two-dimensional heterogeneous aquifers and are compared to theoretical results. The solute discharge quantifies the temporal evolution of the total contaminant mass crossing a certain compliance boundary. In addition to analyzing the solute discharge moments within a classical absolute dispersion framework, we also analyze relative dispersion formulation, whereby plume meandering (deviation from mean flow path caused by velocity variations at scales larger than plume size) is removed. This study addresses some important issues related to the computation of solute discharge moments from random walk particle tracking experiments, and highlights some of the important differences between absolute and relative dispersion frameworks. Relative dispersion formulation produces maximum uncertainty that coincides with the peak mean discharge. Absolute dispersion, however, results in earlier arrival of the uncertainty peak as compared to the first moment peak. Simulations show that the standard deviation of solute discharge in a relative dispersion framework requires increasingly large temporal sampling windows to smooth out some of the large fluctuations in breakthrough curves associated with advective transport. Using smoothing techniques in particle tracking to distribute the particle mass over a volume rather than at a point significantly reduces the noise in the numerical simulations and removes the need to use large temporal windows. Same effect can be obtained by adding a local dispersion process to the particle tracking experiments used to model advective transport. The effect of the temporal sampling window bears some relevance and important consequences for evaluating risk-related parameters. The expected value of peak solute discharge and its standard deviation are very sensitive to this sampling window and so will be the risk distribution relying on such numerical models. 相似文献
7.
《Advances in water resources》2003,26(10):1041-1060
A new technique for generating coarse scale models of highly heterogeneous subsurface formations is developed and applied. The method uses generic global coarse scale simulations to determine the boundary conditions for the local calculation of upscaled properties (permeability or transmissibility). An iteration procedure assures consistency between the local and global calculations. Transport processes are simulated using a subgrid velocity reconstruction technique applied in conjunction with the local–global upscaling procedure. For highly heterogeneous (e.g., channelized) systems, the new method is shown to provide considerably more accurate coarse scale models for flow and transport, relative to reference fine scale results, than do existing local (and extended local) upscaling techniques. The applicability of the upscaled models for different global boundary conditions is also considered. 相似文献
8.
Influence of injection conditions on field tracer experiments 总被引：2，自引：0，他引：2
Calibration of ground water transport models is often performed using results of field tracer experiments. However, little attention is usually paid to the influence, on resulting breakthrough curves, of injection conditions and well-aquifer interactions, more particularly of the influence of the possible trapping of the tracer in the injection wellbore. Recently, a new mathematical and numerical approach has been developed to model injection conditions and well-aquifer interactions in a very accurate way. Using an analytical solution derived from this model, a detailed analysis is made of the evolution of the tracer input function in the aquifer. By varying injection conditions from one simulation to another, synthetic breakthrough curves are generated with the SUFT3D ground water flow and transport finite-element simulator. These tests show clearly that the shape of the breakthrough curves can be dramatically affected by injection conditions. Using generated breakthrough curves as "actual" field results, a calibration of hydrodispersive parameters is performed, neglecting the influence of injection conditions. This shows that neglecting the influence of actual injection conditions can lead to (1) errors on fitted parameters and (2) misleading identification of the active transport processes. Conclusions and guidelines are drawn in terms of proposed methodologies for better controlling the tracer injection in the field, in order to minimize risk of misinterpretation of results. 相似文献
9.
Mart Oostrom Michael J. Truex Guzel D. Tartakovsky Tom W. Wietsma 《Ground Water Monitoring & Remediation》2010,30(3):45-56
Low-permeability layers of the vadose zone containing volatile organic compounds (VOCs) may persist as source zones for long time periods and may provide contamination to groundwater. At sites with low recharge rates, where vapor migration is the dominant transport process, the impact of vadose zone sources on groundwater may be difficult to assess. Typical assessment methods include one-dimensional numerical and analytical techniques. The one-dimensional approaches only consider groundwater coupling options through boundary conditions at the water table and may yield artificially high mass flux results when transport is assumed to occur by gas-phase diffusion between a source and an interface with a zero concentration boundary condition. Improvements in mass flux assessments for VOCs originating from vadose zone sources may be obtained by coupling vadose zone gas transport and dissolved contaminant transport in the saturated zone and by incorporating the inherent three-dimensional nature of gas-phase transport, including the potential of density-driven advection. This paper describes a series of three-dimensional simulations using data from the U.S. Department of Energy's Hanford site, where carbon tetrachloride is present in a low-permeability zone about 30 m above the groundwater. Results show that, for most cases, only a relatively small amount of the contaminant emanating from the source zone partitions into the groundwater and that density-driven advection is only important when relatively high source concentrations are considered. 相似文献
10.
In this work, the influence of non-equilibrium effects on solute transport in a weakly heterogeneous medium is discussed. Three macro-scale models (upscaled via the volume averaging technique) are investigated: (i) the two-equation non-equilibrium model, (ii) the one-equation asymptotic model and (iii) the one-equation local equilibrium model. The relevance of each of these models to the experimental system conditions (duration of the pulse injection, dispersivity values…) is analyzed. The numerical results predicted by these macroscale models are compared directly with the experimental data (breakthrough curves). Our results suggest that the preasymptotic zone (for which a non-Fickian model is required) increases as the solute input pulse time decreases. Beyond this limit, the asymptotic regime is recovered. A comparison with the results issued from the stochastic theory for this regime is performed. Results predicted by both approaches (volume averaging method and stochastic analysis) are found to be consistent. 相似文献
11.
Tracer breakthrough curves provide valuable information about the traced media, especially in inherently heterogeneous karst aquifers. In order to study the effect of variations in hydraulic gradient and conduit systems on breakthrough curves, a bench scale karst model was constructed. The bench scale karst model contains both matrix and a conduit. Eight tracing tests were conducted under a wide range of hydraulic gradients from 1 to greater than 5 for branchwork and network-conduit systems. Sampling points at varying distances from the injection point were utilized. Results demonstrate that mean tracer velocities, tracer mass recovery and linear rising slope of the breakthrough curves were directly controlled by hydraulic gradient. As hydraulic gradient increased, both one half the time for peak concentration and one fifth the time for peak concentration decreased. The results demonstrate the variations in one half the time for peak concentration and one fifth the time for peak concentration of the descending limb for different sampling points under differing hydraulic gradients are mainly controlled by the interactions of advection with dispersion. The results are discussed from three perspectives: different conduit systems, different hydraulic-gradient conditions, and different sampling points. The research confirmed the undeniable role of hydrogeological setting (i.e., hydraulic gradient and conduit system) on the shape of the breakthrough curve. The extracted parameters (mobile-fluid velocity, tracer-mass recovery, linear rising limb, one half the time for peak concentration, and one fifth the time for peak concentration) allow for differentiating hydrogeological settings and enhance interpretations the tracing tests in karst aquifers. 相似文献
12.
《Ground Water Monitoring & Remediation》2000,20(4):104-113
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. 相似文献
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. 相似文献
13.
We present a sequence of purely advective transport models that demonstrate the influence of small-scale geometric inhomogeneities on contaminant transport in fractured crystalline rock. Special weight is placed on the role of statistically generated variable fracture apertures. The fracture network geometry and the aperture distribution are based on information from an in situ radionuclide retardation experiment performed at Grimsel test site (Swiss Alps). The obtained breakthrough curves are fitted with the advection dispersion equation and continuous-time random walks (CTRW). CTRW is found to provide superior fits to the late-arrival tailing and is also found to show a good correlation with the velocity distributions obtained from the hydraulic models. The impact of small-scale heterogeneities, both in fracture geometry and aperture, on transport is shown to be considerable. 相似文献
14.
Two different deterministic and two alternative stochastic (i.e., geostatistical) approaches to modeling the distribution of hydraulic conductivity (K) in a nonuniform (sigma2ln(K)) = 0.29) glacial sand aquifer were used to explore the influence of conceptual model selection on simulations of three-dimensional tracer movement. The deterministic K models employed included a homogeneous effective K and a perfectly stratified 14 layer model. Stochastic K models were constructed using sequential Gaussian simulation and sequential i ndicator simulation conditioned to available K values estimated from measured grain size distributions. Standard simulation software packages MODFLOW, MT3DMS, and MODPATH were used to model three-dimensional ground water flow and transport in a field tracer test, where a pulse of bromide was injected through an array of three fully screened wells and extracted through a single fully screened well approximately 8 m away. Agreement between observed and simulated transport behavior was assessed through direct comparison of breakthrough curves (BTCs) and selected breakthrough metrics at the extraction well and at 26 individual multilevel sample ports distributed irregularly between the injection and extraction wells. Results indicate that conceptual models incorporating formation variability are better able to capture observed breakthrough behavior. Root mean square (RMS) error of the deterministic models bracketed the ensemble mean RMS error of stochastic models for simulated concentration vs. time series, but not for individual BTC characteristic metrics. The spatial variability models evaluated here may be better suited to simulating breakthrough behavior measured in wells screened over large intervals than at arbitrarily distributed observation points within a nonuniform aquifer domain. 相似文献
15.
Flow and transport models in heterogeneous geological formations are usually large-scale with excessive computational complexity and uncertain characteristics. Uncertainty quantification for predicting subsurface flow and transport often entails utilizing a numerical Monte Carlo framework, which repeatedly simulates the model according to a random field parameter representing hydrogeological characteristics of the aquifer. The physical resolution (e.g. spatial grid resolution) for the simulation is customarily chosen based on recommendations in the literature, independent of the number of Monte Carlo realizations. This practice may lead to either excessive computational burden or inaccurate solutions. We develop an optimization-based methodology that considers the trade-off between the following conflicting objectives: time associated with computational costs, statistical convergence of the model prediction and physical errors corresponding to numerical grid resolution. Computational resources are allocated by considering the overall error based on a joint statistical–numerical analysis and optimizing the error model subject to a given computational constraint. The derived expression for the overall error explicitly takes into account the joint dependence between the discretization error of the physical space and the statistical error associated with Monte Carlo realizations. The performance of the framework is tested against computationally extensive simulations of flow and transport in spatially heterogeneous aquifers. Results show that modelers can achieve optimum physical and statistical resolutions while keeping a minimum error for a given computational time. The physical and statistical resolutions obtained through our analysis yield lower computational costs when compared to the results obtained with prevalent recommendations in the literature. Lastly, we highlight the significance of the geometrical characteristics of the contaminant source zone on the optimum physical and statistical resolutions. 相似文献
16.
David Ching-Fang Shih Yue-Gau Chen Gwo-Fong Lin Yih-Min Wu 《Stochastic Environmental Research and Risk Assessment (SERRA)》2009,23(5):613-620
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. 相似文献
17.
F. F. Pollitz 《Pure and Applied Geophysics》2002,159(9):2085-2112
-- I present a new algorithm for calculating seismic wave propagation through a three-dimensional heterogeneous medium using the framework of mode coupling theory originally developed to perform very low frequency (f < ~0.01т.05 Hz) seismic wavefield computation. It is a Greens function approach for multiple scattering within a defined volume and employs a truncated traveling wave basis set using the locked mode approximation. Interactions between incident and scattered wavefields are prescribed by mode coupling theory and account for the coupling among surface waves, body waves, and evanescent waves. The described algorithm is, in principle, applicable to global and regional wave propagation problems, but I focus on higher frequency (typically f S ~0.25 Hz) applications at regional and local distances where the locked mode approximation is best utilized and which involve wavefields strongly shaped by propagation through a highly heterogeneous crust. Synthetic examples are shown for P-SV-wave propagation through a semi-ellipsoidal basin and SH-wave propagation through a fault zone. 相似文献
18.
Reactive contaminant transport models are used by hydrologists to simulate and study the migration and fate of industrial waste in subsurface aquifers. Accurate transport modeling of such waste requires clear understanding of the system’s parameters, such as sorption and biodegradation. In this study, we present an efficient sequential data assimilation scheme that computes accurate estimates of aquifer contamination and spatially variable sorption coefficients. This assimilation scheme is based on a hybrid formulation of the ensemble Kalman filter (EnKF) and optimal interpolation (OI) in which solute concentration measurements are assimilated via a recursive dual estimation of sorption coefficients and contaminant state variables. This hybrid EnKF-OI scheme is used to mitigate background covariance limitations due to ensemble under-sampling and neglected model errors. Numerical experiments are conducted with a two-dimensional synthetic aquifer in which cobalt-60, a radioactive contaminant, is leached in a saturated heterogeneous clayey sandstone zone. Assimilation experiments are investigated under different settings and sources of model and observational errors. Simulation results demonstrate that the proposed hybrid EnKF-OI scheme successfully recovers both the contaminant and the sorption rate and reduces their uncertainties. Sensitivity analyses also suggest that the adaptive hybrid scheme remains effective with small ensembles, allowing to reduce the ensemble size by up to 80% with respect to the standard EnKF scheme. 相似文献
19.
This study presents a novel mathematical model for analysis of non-axisymmetrical solute transport in a radially convergent flow field with scale-dependent dispersion. A two-dimensional, scale-dependent advection–dispersion equation in cylindrical coordinates is derived based on assuming that the longitudinal and transverse dispersivities increase linearly with the distance of the solute transported from its injected source. The Laplace transform finite difference technique is applied to solve the two-dimensional, scale-dependent advection–dispersion equation with variable-dependent coefficients. Concentration contours for different times, breakthrough curves of average concentration over concentric circles with a fixed radial distance, and breakthrough curves of concentration at a fixed observation point obtained using the scale-dependent dispersivity model are compared with those from the constant dispersivity model. The salient features of scale-dependent dispersion are illustrated during the non-axisymmetrical transport from the injection well into extraction well in a convergent flow field. Numerical tests show that the scale-dependent dispersivity model predicts smaller spreading than the constant-dispersivity model near the source. The results also show that the constant dispersivity model can produce breakthrough curves of averaged concentration over concentric circles with the same shape as those from the proposed scale-dependent dispersivity model at observation point near the extraction well. Far from the extracting well, the two models predict concentration contours with significantly different shapes. The breakthrough curves at observation point near the injection well from constant dispersivity model always produce lesser overall transverse dispersion than those from scale-dependent dispersivity model. Erroneous dimensionless transverse/longitudinal dispersivity ratio may result from parametric techniques which assume a constant dispersivity if the dispersion process is characterized by a distance-dependent dispersivity relationship. A curve-fitting method with an example is proposed to evaluate longitudinal and transverse scale-proportional factors of a field with scale-dependent dispersion. 相似文献
20.
Bioremediation in Fractured Rock: 1. Modeling to Inform Design,Monitoring, and Expectations 
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下载免费PDF全文 Claire R. Tiedeman Allen M. Shapiro Paul A. Hsieh Thomas E. Imbrigiotta Daniel J. Goode Pierre J. Lacombe Mary F. DeFlaun Scott R. Drew Carole D. Johnson John H. Williams Gary P. Curtis 《Ground water》2018,56(2):300-316
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. 相似文献