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1.
In the evaluation of potential risk from ingestion of groundwater near an impacted site, numerical simulation of fate and transport processes of chemicals of concern is often required. If there is potential concern about multiple chemicals, numerical simulation of each chemical separately is often needed. In this paper, a semi-analytical solution is presented based on a numerical solution of the transport of a conservative and nonreactive tracer. When multiple chemicals undergoing sorption and first-order degradation need to be modeled, we can avoid performing individual numerical simulations for each chemical by applying the semi-analytical solution. Numerical test runs were conducted to verify the semi-analytical solution; simulation results reveal that the concentrations derived from the semi-analytical solution are identical to those derived from the individual numerical fate and transport model simulations. The semi-analytical solution requires steady-state flow conditions, no continuing contaminant source, and similar initial source concentration distributions. 相似文献
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Todd H. Skaggs 《Advances in water resources》2011,34(10):1335-1342
Critical path analysis (CPA) is a method for estimating macroscopic transport coefficients of heterogeneous materials that are highly disordered at the micro-scale. Developed originally to model conduction in semiconductors, numerous researchers have noted that CPA might also have relevance to flow and transport processes in porous media. However, the results of several numerical investigations of critical path analysis on pore network models raise questions about the applicability of CPA to porous media. Among other things, these studies found that (i) in well-connected 3D networks, CPA predictions were inaccurate and became worse when heterogeneity was increased; and (ii) CPA could not fully explain the transport properties of 2D networks. To better understand the applicability of CPA to porous media, we made numerical computations of permeability and electrical conductivity on 2D and 3D networks with differing pore-size distributions and geometries. A new CPA model for the relationship between the permeability and electrical conductivity was found to be in good agreement with numerical data, and to be a significant improvement over a classical CPA model. In sufficiently disordered 3D networks, the new CPA prediction was within ±20% of the true value, and was nearly optimal in terms of minimizing the squared prediction errors across differing network configurations. The agreement of CPA predictions with 2D network computations was similarly good, although 2D networks are in general not well-suited for evaluating CPA. Numerical transport coefficients derived for regular 3D networks of slit-shaped pores were found to be in better agreement with experimental data from rock samples than were coefficients derived for networks of cylindrical pores. 相似文献
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The influence of model dimensionality on predictions of mass recovery from dense non-aqueous phase liquid (DNAPL) source zones in nonuniform permeability fields was investigated using a modified version of the modular three-dimensional transport simulator (MT3DMS). Thirty-two initial two- (2D) and three-dimensional (3D) tetrachloroethene–DNAPL source zone architectures, taken from a recent modeling study, were used as initial conditions for this analysis. Commonly employed source zone metrics were analyzed to determine differences between 2D and 3D predictions: (i) down-gradient flux-averaged contaminant concentration, (ii) reductions in contaminant mass flux through a down-gradient boundary, (iii) source zone ganglia-to-pool (GTP) ratio, and (iv) time required to achieve a remediation objective. 3D flux-averaged contaminant concentrations were approximately 3.5 times lower than concentrations simulated in 2D. This difference was attributed to dilution of the contaminant concentrations down gradient of the source zone. Contaminant flux reduction predictions for a given mass recovery were generally 5% higher in 3D simulations than in 2D simulations. The GTP ratio declined over time as mass was recovered in both 2D and 3D simulations. Although the source longevity (i.e., time required to achieve 99.99% mass recovery) differed between individual 2D and 3D realizations, the mean source longevity for the 2D and 3D simulation ensembles was within 2%. 2D simulations tended to over-predict the time required to achieve lower mass recovery levels (e.g. 50% mass recovery) due to a smaller contaminated area exposed to uncontaminated water. These findings suggest that ensemble averages of 2D numerical simulations of DNAPL migration, entrapment, dissolution, and mass recovery in statistically homogenous, nonuniform media may provide reasonable approximations to average behavior obtained using simulations conducted in fully three-dimensional domains. 相似文献
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In this work, numerical modeling is used to evaluate and interpret a series of detailed and well‐controlled two‐dimensional bench‐scale conservative tracer tank experiments performed to investigate transverse mixing in porous media. The porous medium used consists of a fine matrix and a more permeable lens vertically aligned with the tracer source and the flow direction. A sensitivity analysis shows that the tracer distribution after passing the lens is only slightly sensitive to variations in transverse dispersivity, but strongly sensitive to the contrast of hydraulic conductivities. A unique parameter set could be calibrated to closely fit the experimental observations. On the basis of calibrated and validated model, synthetic experiments with different contrasts in hydraulic conductivity and more complex setups were performed and the efficiency of mixing evaluated. Flux‐related dilution indices derived from these simulations show that the contrasts in hydraulic conductivity between matrix and high‐permeable lenses as well as the spatial configuration of tracer plumes and lenses dominate mixing, rather than the actual pore scale dispersivities. These results indicate that local material distributions, the magnitude of permeability contrasts, and their spatial and scale relation to solute plumes are more important for macro‐scale transverse dispersion than the micro‐scale dispersivities of individual materials. Local material characterization by thorough site investigation hence is of utmost importance for the evaluation of mixing‐influenced or ‐governed problems in groundwater, such as tracer test evaluation or an assessment of contaminant natural attenuation. 相似文献
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Monte Carlo simulations are conducted to evaluate microbial-mediated contaminant reactions in an aquifer comprised of spatially variable microbial biomass concentrations, aquifer hydraulic conductivities, and initial electron donor/acceptor concentrations. A finite element simulation model is used that incorporates advection, dispersion, and Monod kinetic expressions to describe biological processes. Comparisons between Monte Carlo simulations of heterogeneous systems and simulations using homogeneous formulation of the same two-dimensional transport problem are presented. For the assumed set of parameters, physical aquifer heterogeneity is found to have a minor effect on the mass of contaminant biodegraded/transformed when compared to a homogeneous system; however, it noticeably changes the dispersion, skewness, and peakness of contaminant concentration distributions. Similarly, for low microbial growth rate, given favorable microbial growth characteristics, biological heterogeneity has minor effect on the mass of contaminant biodegraded/transformed when compared to a homogeneous system. On the other hand, when higher effective growth rates are assumed, biological heterogeneity and spatial heterogeneities in essential electron donor/acceptors reduce the efficiency of biotic contaminant reactions; consequently, model simulations derived from heterogeneous biomass distributions predict remediation time scales that are longer than those simulated for homogeneous systems. When correlations between physical aquifer and biological heterogeneities are considered, the assumed correlation affects predicted mean and variance of contaminant concentration and biomass distributions. For example, an assumed negative correlation between hydraulic conductivity and the initial biomass distribution produces a plume where less efficient biotic contaminant reactions occur at the leading edge of the plume; this is consistent with less degradation/transformation occurring over regions of higher groundwater velocities. However, the presence and absence of these correlations do not appear to affect the efficiency of microbial-mediated contaminant attenuation. 相似文献
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《Advances in water resources》1998,22(3):203-221
Highly resolved simulations of groundwater flow, chemical migration and contaminant recovery processes are used to test the applicability of stochastic models of flow and transport in a typical field setting. A simulation domain encompassing a portion of the upper saturated aquifer materials beneath the Lawrence Livermore National Laboratory was developed to hierarchically represent known hydrostratigraphic units and more detailed stochastic representations of geologic heterogeneity within them. Within each unit, Gaussian random field models were used to represent hydraulic conductivity variation, as parameterized from well test data and geologic interpretation of spatial variability. Groundwater flow, transport and remedial extraction of two hypothetical contaminants were made in six different statistical realizations of the system. The effective flow and transport behavior observed in the simulations compared reasonably with the predictions of stochastic theories based upon the Gaussian models, even though more exacting comparisons were prevented by inherent nonidealities of the geologic model and flow system. More importantly, however, biases and limitations in the hydraulic data appear to have reduced the applicability of the Gaussian representations and clouded the utility of the simulations and effective behavior based upon them. This suggests a need for better and unbiased methods for delineating the spatial distribution and structure of geologic materials and hydraulic properties in field systems. High performance computing can be of critical importance in these endeavors, especially with respect to resolving transport processes within highly variable media.©1998 Elsevier Science Limited. All rights reserved 相似文献
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Ming Zhi Wu David A. Reynolds Andy Fourie David G. Thomas 《Ground Water Monitoring & Remediation》2013,33(1):62-74
Numerical simulations were used to identify and evaluate optimum electrode configurations and approaches for electrokinetic in situ chemical oxidation (EK‐ISCO) remediation of low‐permeability sediments. A newly developed groundwater and EK flow and reactive transport numerical model was used to conduct two‐dimensional scenario simulations of the coverage of an injected oxidant, permanganate, and the oxidation of a typical organic contaminant (tetrachloroethene, PCE). For linear configurations of vertical electrodes, the spacing of same‐polarity electrodes is recommended to be about one‐third to one‐quarter of the anode–cathode spacing. Greater coverage could also be achieved by locating additional oxidant injection wells at the divergence of the electric field in linear electrode configurations. Horizontal electrodes allowed greater contact between the injected permanganate and PCE and resulted in faster degradation of PCE compared to vertical electrodes. Pulsed oxidant injection, closer electrode spacing, and electric field reversal also resulted in faster EK‐ISCO remediation. 相似文献
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Poro-acoustoelastic theory has made a great progress in both theoretical and experimental aspects, but with no publications on the joint research from theoretical analyses, experimental measurements, and numerical validations. Several key issues challenge the joint research with comparisons of experimental and numerical results, such as digital imaging of heterogeneous poroelastic properties, estimation of acoustoelastic constants, numerical dispersion at high frequencies and strong heterogeneities, elastic nonlinearity due to compliant pores, and contamination by boundary reflections. Conventional poroacoustoelastic theory, valid for the linear elastic deformation of rock grains and stiff pores, is modified by incorporating a dualporosity model to account for elastic nonlinearity due to compliant pores subject to high-magnitude loading stresses. A modified finite-element method is employed to simulate the subtle effect of microstructures on wave propagation in prestressed digital cores. We measure the heterogeneity of samples by extracting the autocorrelation length of digital cores for a rough estimation of scattering intensity. We conductexperimental measurements with a fluid-saturated sandstone sample under a constant confining pressure of 65 MPa and increasing pore pressures from 5 to 60 MPa. Numerical simulations for ultrasound propagation in the prestressed fluid-saturated digital core of the sample are followed based on the proposed poro-acoustoelastic model with compliant pores. The results demonstrate a general agreement between experimental and numerical waveforms for different stresses, validating the performance of the presented modeling scheme. The excellent agreement between experimental and numerical coda quality factors demonstrates the applicability for the numerical investigation of the stress-associated scattering attenuation in prestressed porous rocks. 相似文献
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Ground water contaminant transport by nondivergence-free, unsteady and nonstationary velocity fields
Pore flow velocity is assumed to be a nondivergence-free, unsteady, and nonstationary random function of space and time for ground water contaminant transport in a heterogeneous medium. The laboratory-scale stochastic contaminant transport equation is up scaled to field scale by taking the ensemble average of the equation by using the cumulant expansion method. A new velocity correction, which is a function of mean pore flow velocity divergence, is obtained due to strict second order cumulant expansion (without omitting any term after the expansion). The field scale transport equations under the divergence-free pore flow velocity field assumption are also derived by simplifying the nondivergence-free field scale equation. The significance of the new velocity correction term is investigated on a two dimensional transport problem driven by a density dependent flow. 相似文献
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Influence of the amount of available K data on uncertainty about contaminant transport prediction 总被引：1，自引：0，他引：1
The effect of increasing the amount of hydraulic conductivity (K) data on the level of uncertainty about contaminant concentration predictions was examined. Contaminant concentrations were predicted using Monte Carlo numerical simulations with progressively more K information, and were compared to reference data obtained from a physical experiment. Increasing the amount of K data used in generating the aquifer's K field improved the measure of confidence in the predicted contaminant concentration. The normalized concentration interval with 95% confidence decreased from 1.29 to 0.75 when the amount of K data increased from 20 to 71. However, the trade-off is the increase in the costs of aquifer investigation. Conducting Monte Carlo numerical simulations may help design an optimal aquifer investigation scheme, so that it can provide enough input data to predict concentrations with the desired level of confidence and at the same time avoid the excessive costs of aquifer investigation. 相似文献
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The influence on solute transport of the small-scale spatial variation of aquifer hydraulic conductivity (K) was analyzed by comparing results from fine-grid (2 m by 2 m) simulations of a synthetic heterogeneous aquifer to those from coarse-grid (8 m by 4 m) simulations of an equivalent homogeneous aquifer. Realizations of the K field of the heterogeneous aquifer were generated, using the Monte Carlo approach, from a lognormal distribution with mean log K of 2 (K in m/d) and three levels of log K variance of 0.1, 0.5, and 1.0. Numerical simulation results show that the average standard deviation of point concentrations increased from 1.21 to 5.78 when the value of log K variance was increased from 0.1 to 1.0. The average discrepancy between modeled concentrations (obtained from a coarse-grid deterministic numerical simulation) and the actual mean point concentrations (obtained from fine-grid Monte Carlo numerical simulations) increased from 0.91 to 4.23 with the increase in log K variance. The results from this study illustrate the uncertainty in predictions from contaminant transport models due to their inability to simulate the effects of heterogeneities at scales smaller than the model grid. 相似文献
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Heterogeneity is prevalent in aquifers and has an enormous impact on contaminant transport in groundwater. Numerical simulations are an effective way to deal with heterogeneity directly by assigning different hydraulic property values to each numerical grid block. Because hydraulic properties vary on different scales, but they cannot be sampled exhaustively and the number of numerical grid blocks is limited by computational considerations, the dispersive effects of unmodeled heterogeneity need to be accounted for. Dispersion tensors can be used to model the dispersion caused by unmodeled heterogeneity. The concept of block-effective macrodispersion tensors for modeling the effects of small-scale variability on solute transport introduced by Rubin et al. [Rubin Y, Sun A, Maxwell R, Bellin A. The concept of block-effective macrodispersivity and a unified approach for grid-scale- and plume-scale-dependent transport. J Fluid Mech 1999;395:161–80] is extended in this paper for use with reactive solutes. The tensors are derived for reactive solutes with spatially variable retardation factors and for solutes experiencing spatially uniform rate-limited sorption. The longitudinal block-effective macrodispersion coefficient is largest for perfect negative correlation between the log-hydraulic conductivity and the retardation factor. Because dispersion tensors, as they are usually implemented in numerical simulations, produce symmetric spreading, the applicability of the concept depends on the portion of the plume asymmetry caused by small-scale variability. The presented results show that the concept is applicable for rate-limited sorption for block sizes of one and two integral scales. 相似文献
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A Coupled Groundwater–Surface Water Modeling Framework for Simulating Transition Zone Processes 
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下载免费PDF全文 Pradeep Mugunthan Kevin T. Russell Binglei Gong Michael J. Riley Arthur Chin Blair G. McDonald Linda J. Eastcott 《Ground water》2017,55(3):302-315
There is an identified need for fully representing groundwater–surface water transition zone (i.e., the sediment zone that connects groundwater and surface water) processes in modeling fate and transport of contaminants to assist with management of contaminated sediments. Most existing groundwater and surface water fate and transport models are not dynamically linked and do not consider transition zone processes such as bioturbation and deposition and erosion of sediments. An interface module is developed herein to holistically simulate the fate and transport by coupling two commonly used models, Environmental Fluid Dynamics Code (EFDC) and SEAWAT, to simulate surface water and groundwater hydrodynamics, while providing an enhanced representation of the processes in the transition zone. Transition zone and surface water contaminant processes were represented through an enhanced version of the EFDC model, AQFATE. AQFATE also includes SEDZLJ, a state‐of‐the‐science surface water sediment transport model. The modeling framework was tested on a published test problem and applied to evaluate field‐scale two‐ and three‐dimensional contaminant transport. The model accurately simulated concentrations of salinity from a published test case. For the field‐scale applications, the model showed excellent mass balance closure for the transition zone and provided accurate simulations of all transition zone processes represented in the modeling framework. The model predictions for the two‐dimensional field case were consistent with site‐specific observations of contaminant migration. This modeling framework represents advancement in the simulation of transition zone processes and can help inform risk assessment at sites where contaminant sources from upland areas have the potential to impact sediments and surface water. 相似文献
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Characterizing the pore space of rock samples using three‐dimensional (3D) X‐ray computed tomography images is a crucial step in digital rock physics. Indeed, the quality of the pore network extracted has a high impact on the prediction of rock properties such as porosity, permeability and elastic moduli. In carbonate rocks, it is usually very difficult to find a single image resolution which fully captures the sample pore network because of the heterogeneities existing at different scales. Hence, to overcome this limitation a multiscale analysis of the pore space may be needed. In this paper, we present a method to estimate porosity and elastic properties of clean carbonate (without clay content) samples from 3D X‐ray microtomography images at multiple resolutions. We perform a three‐phase segmentation to separate grains, pores and unresolved porous phase using 19 μm resolution images of each core plug. Then, we use images with higher resolution (between 0.3 and 2 μm) of microplugs extracted from the core plug samples. These subsets of images are assumed to be representative of the unresolved phase. We estimate the porosity and elastic properties of each sample by extrapolating the microplug properties to the whole unresolved phase. In addition, we compute the absolute permeability using the lattice Boltzmann method on the microplug images due to the low resolution of the core plug images. In order to validate the results of the numerical simulations, we compare our results with available laboratory measurements at the core plug scale. Porosity average simulations for the eight samples agree within 13%. Permeability numerical predictions provide realistic values in the range of experimental data but with a higher relative error. Finally, elastic moduli show the highest disagreements, with simulation error values exceeding 150% for three samples. 相似文献
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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
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Sub‐grid scale parameterization of hillslope runoff and erosion processes for catchment‐scale models of semi‐arid landscapes 下载免费PDF全文
下载免费PDF全文 The processes of hillslope runoff and erosion are typically represented at coarse spatial resolution in catchment‐scale models due to computational limitations. Such representation typically fails to incorporate the important effects of topographic heterogeneity on runoff generation, overland flow, and soil erosion. These limitations currently undermine the application of distributed catchment models to understand the importance of thresholds and connectivity on hillslope and catchment‐scale runoff and erosion, particularly in semi‐arid environments. This paper presents a method for incorporating high‐resolution topographic data to improve sub‐grid scale parameterization of hillslope overland flow and erosion models. Results derived from simulations conducted using a kinematic wave overland flow model at 0.5 m spatial resolution are used to parameterize the depth–discharge relationship in the overland flow model when applied at 16 m resolution. The high‐resolution simulations are also used to derive a more realistic parameterization of excess flow shear stress for use in the 16 m resolution erosion model. Incorporating the sub‐grid scale parameterization in the coarse‐resolution model (16 m) leads to improved predictions of overland flow and erosion when evaluated using results derived from high‐resolution (0.5 m) model simulations. The improvement in performance is observed for a range of event magnitudes and is most notable for erosion estimates due to the non‐linear dependency between the rates of erosion and overland flow. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
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Landscape curvature evolves in response to physical, chemical, and biological influences that cannot yet be quantified in models. Nonetheless, the simplest models predict the existence of equilibrium hillslope profiles. Here, we develop a model describing steady‐state regolith production caused by mineral dissolution on hillslopes which have attained an equilibrium parabolic profile. When the hillslope lowers at a constant rate, the rate of chemical weathering is highest at the ridgetop where curvature is highest and the ridge develops the thickest regolith. This result derives from inclusion of all the terms in the mathematical definition of curvature. Including these terms shows that the curvature of a parabolic hillslope profile varies with distance from the ridge. The hillslope model (meter‐scale) is similar to models of weathering rind formation (centimeter‐scale) where curvature‐driven solute transport causes development of the thickest rinds at highly curved clast corners. At the clast scale, models fit observations. Here, we similarly explore model predictions of the effect of curvature at the hillslope scale. The hillslope model shows that when erosion rates are small and vertical porefluid infiltration is moderate, the hill weathers at both ridge and valley in the erosive transport‐limited regime. For this regime, the reacting mineral is weathered away before it reaches the land surface: in other words, the model predicts completely developed element‐depth profiles at both ridge and valley. In contrast, when the erosion rate increases or porefluid velocity decreases, denudation occurs in the weathering‐limited regime. In this regime, the reacting mineral does not weather away before it reaches the land surface and simulations predict incompletely developed profiles at both ridge and valley. These predictions are broadly consistent with observations of completely developed element‐depth profiles along hillslopes denuding under erosive transport‐limitation but incompletely developed profiles along hillslopes denuding under weathering limitation in some field settings. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
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YanHong Wu Jörg Prietzel Jun Zhou HaiJian Bing Ji Luo Dong Yu ShouQin Sun JianHong Liang HongYang Sun 《中国科学:地球科学(英文版)》2014,57(8):1860-1868
The primary productivity of terrestrial ecosystems is influenced by soil phosphorus bioavailability, which depends largely on chemical fractions of phosphorus. The sequential fractionation technique developed by Hedley et al. or its subsequent modification is a well-known method to determine soil phosphorus forms. Hedley sequential fractionation technique separates the phosphorus into fractions based on their different chemical solubilities in extractants with certain chemical properties. Recently, synchrotron-based X-ray absorption near edge structure (XANES) spectroscopy has been employed to measure soil phosphorus species directly and non-invasively. The XANES method provides information concerning local structure and chemical information of target elements at a molecular level. Thus, it can distinguish phosphorus fractions bound by metal oxides or hydroxides (such as Fe, Al, and Ca). In this present work, the phosphorus speciation of topsoil along a glacial foreland chronosequence in Gongga Mountain is determined using these two methods. The changes in soil phosphorus bioavailability along the 120-year-old chronosequence are assessed based on comparisons of the results obtained by these two methods. The results indicate that Hedley sequential fractionation technique shows a greater ability to determine soil bioavailable phosphorus (Resin-P and NaCHO3-P), while XANES is effective in distinguishing phosphorus bound by metal compounds. In the chronosequence, Ca- and Al-bound phosphorus were derived mainly from primary minerals, whose phosphorus contents decreased within 120 years of moraine weathering and soil development. The content of soil bioavailable phosphorus increased rapidly after 30 years since deglaciation. The increasing phosphorus bioavailability promoted the colonizing and primary succession vegetation. 相似文献