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1.
The MT3DMS groundwater solute transport model was modified to simulate solute transport in the unsaturated zone by incorporating the unsaturated‐zone flow (UZF1) package developed for MODFLOW. The modified MT3DMS code uses a volume‐averaged approach in which Lagrangian‐based UZF1 fluid fluxes and storage changes are mapped onto a fixed grid. Referred to as UZF‐MT3DMS, the linked model was tested against published benchmarks solved analytically as well as against other published codes, most frequently the U.S. Geological Survey's Variably‐Saturated Two‐Dimensional Flow and Transport Model. Results from a suite of test cases demonstrate that the modified code accurately simulates solute advection, dispersion, and reaction in the unsaturated zone. Two‐ and three‐dimensional simulations also were investigated to ensure unsaturated‐saturated zone interaction was simulated correctly. Because the UZF1 solution is analytical, large‐scale flow and transport investigations can be performed free from the computational and data burdens required by numerical solutions to Richards' equation. Results demonstrate that significant simulation runtime savings can be achieved with UZF‐MT3DMS, an important development when hundreds or thousands of model runs are required during parameter estimation and uncertainty analysis. Three‐dimensional variably saturated flow and transport simulations revealed UZF‐MT3DMS to have runtimes that are less than one tenth of the time required by models that rely on Richards' equation. Given its accuracy and efficiency, and the wide‐spread use of both MODFLOW and MT3DMS, the added capability of unsaturated‐zone transport in this familiar modeling framework stands to benefit a broad user‐ship.  相似文献   

2.
Tonkin M  Tajani Z 《Ground water》2012,50(2):296-300
It is often necessary to simulate the influx to a groundwater model of water containing dissolved contaminants. Until fairly recently, users of MODFLOW and MT3DMS were restricted to varying the flux of water and contaminants on a stress-period basis: when a time-varying loading pattern required simulation, the modeler's only recourse was to discretize the model into many stress periods. From a practical standpoint this is cumbersome, while from a technical standpoint it requires that the modeler define a priori an appropriate time discretization that can accurately reproduce time-varying flow and mass loading. This is particularly undesirable when attempting to infer a time-varying flow or mass loading using inverse methods. The advent of the Flow and Head Boundary (FHB) package in the late 1990s greatly mitigated these limitations from the flow perspective. The recent release of the Hydrocarbon Spill Source (HSS) package for MT3DMS has essentially removed the limitation from the contaminant mass perspective. This Methods Note verifies the FHB and HSS packages by comparison with more commonly used boundary packages and highlights some benefits of their combined use, with reference to the reconstruction of historic flow and mass fluxes through inverse modeling. (Note: The Flow and Head Boundary and Hydrocarbon Spill Source packages are referred to throughout as "FHB" and "HSS", respectively,--that is, omitting version number suffixes--as the discussion presented should apply to all releases of each package.).  相似文献   

3.
The assumption of spatial repetition is commonly made when producing bedform scale models of the hyporheic zone. Two popular solute transport codes, MT3DMS and PHT3D, do not currently provide the necessary boundary condition required to simulate spatial periodicity in hyporheic zone transport problems. In this study, we develop a spatially periodic boundary (SPB) for solutes that is compatible with a SPB that was previously developed for MODFLOW to simulate the flow component of spatially periodic problems. The approach is ideal for simulating groundwater flow and transport patterns under repeating surface features, such as ripples or dunes on the bottom of a lake or stream. The appropriate block‐centered finite‐difference approach to implement the boundary is presented and the necessary source code modifications are discussed. The performance of the solute SPB, operating in conjunction with the groundwater flow SPB, is explored through comparison of a multi‐bedform hyporheic‐zone model with a single bedform variant. The new boundary conditions perform well in situations where both dispersive effects and lateral seepage flux in the underflow regime beneath the hyporheic zone are minimal.  相似文献   

4.
Owing to the mathematical similarities between heat and mass transport, the multi-species transport model MT3DMS should be able to simulate heat transport if the effects of buoyancy and changes in viscosity are small. Although in several studies solute models have been successfully applied to simulate heat transport, these studies failed to provide any rigorous test of this approach. In the current study, we carefully evaluate simulations of a single borehole ground source heat pump (GSHP) system in three scenarios: a pure conduction situation, an intermediate case, and a convection-dominated case. Two evaluation approaches are employed: first, MT3DMS heat transport results are compared with analytical solutions. Second, simulations by MT3DMS, which is finite difference, are compared with those by the finite element code FEFLOW and the finite difference code SEAWAT. Both FEFLOW and SEAWAT are designed to simulate heat flow. For each comparison, the computed results are examined based on residual errors. MT3DMS and the analytical solutions compare satisfactorily. MT3DMS and SEAWAT results show very good agreement for all cases. MT3DMS and FEFLOW two-dimensional (2D) and three-dimensional (3D) results show good to very good agreement, except that in 3D there is somewhat deteriorated agreement close to the heat source where the difference in numerical methods is thought to influence the solution. The results suggest that MT3DMS can be successfully applied to simulate GSHP systems, and likely other systems with similar temperature ranges and gradients in saturated porous media.  相似文献   

5.
Langevin CD  Guo W 《Ground water》2006,44(3):339-351
This paper presents an approach for coupling MODFLOW and MT3DMS for the simulation of variable-density ground water flow. MODFLOW routines were modified to solve a variable-density form of the ground water flow equation in which the density terms are calculated using an equation of state and the simulated MT3DMS solute concentrations. Changes to the MODFLOW and MT3DMS input files were kept to a minimum, and thus existing data files and data files created with most pre- and postprocessors can be used directly with the SEAWAT code. The approach was tested by simulating the Henry problem and two of the saltpool laboratory experiments (low- and high-density cases). For the Henry problem, the simulated results compared well with the steady-state semianalytic solution and also the transient isochlor movement as simulated by a finite-element model. For the saltpool problem, the simulated breakthrough curves compared better with the laboratory measurements for the low-density case than for the high-density case but showed good agreement with the measured salinity isosurfaces for both cases. Results from the test cases presented here indicate that the MODFLOW/MT3DMS approach provides accurate solutions for problems involving variable-density ground water flow and solute transport.  相似文献   

6.
The “HYDRUS package for MODFLOW” is an existing MODFLOW package that allows MODFLOW to simultaneously evaluate transient water flow in both unsaturated and saturated zones. The package is based on incorporating parts of the HYDRUS-1D model (to simulate unsaturated water flow in the vadose zone) into MODFLOW (to simulate saturated groundwater flow). The coupled model is effective in addressing spatially variable saturated-unsaturated hydrological processes at the regional scale. However, one of the major limitations of this coupled model is that it does not have the capability to simulate solute transport along with water flow and therefore, the model cannot be employed for evaluating groundwater contamination. In this work, a modified unsaturated flow and transport package (modified HYDRUS package for MODFLOW and MT3DMS) has been developed and linked to the three-dimensional (3D) groundwater flow model MODFLOW and the 3D groundwater solute transport model MT3DMS. The new package can simulate, in addition to water flow in the vadose zone, also solute transport involving many biogeochemical processes and reactions, including first-order degradation, volatilization, linear or nonlinear sorption, one-site kinetic sorption, two-site sorption, and two-kinetic sites sorption. Due to complex interactions at the groundwater table, certain modifications of the pressure head (compared to the original coupling) and solute concentration profiles were incorporated into the modified HYDRUS package. The performance of the newly developed model is evaluated using HYDRUS (2D/3D), and the results indicate that the new model is effective in simulating the movement of water and contaminants in the saturated-unsaturated flow domains.  相似文献   

7.
Heejun Suk 《Ground water》2016,54(4):508-520
MT3DMS, a modular three‐dimensional multispecies transport model, has long been a popular model in the groundwater field for simulating solute transport in the saturated zone. However, the method of characteristics (MOC), modified MOC (MMOC), and hybrid MOC (HMOC) included in MT3DMS did not treat Cauchy boundary conditions in a straightforward or rigorous manner, from a mathematical point of view. The MOC, MMOC, and HMOC regard the Cauchy boundary as a source condition. For the source, MOC, MMOC, and HMOC calculate the Lagrangian concentration by setting it equal to the cell concentration at an old time level. However, the above calculation is an approximate method because it does not involve backward tracking in MMOC and HMOC or allow performing forward tracking at the source cell in MOC. To circumvent this problem, a new scheme is proposed that avoids direct calculation of the Lagrangian concentration on the Cauchy boundary. The proposed method combines the numerical formulations of two different schemes, the finite element method (FEM) and the Eulerian–Lagrangian method (ELM), into one global matrix equation. This study demonstrates the limitation of all MT3DMS schemes, including MOC, MMOC, HMOC, and a third‐order total‐variation‐diminishing (TVD) scheme under Cauchy boundary conditions. By contrast, the proposed method always shows good agreement with the exact solution, regardless of the flow conditions. Finally, the successful application of the proposed method sheds light on the possible flexibility and capability of the MT3DMS to deal with the mass transport problems of all flow regimes.  相似文献   

8.
In this article, we present a straightforward random walk model for fast evaluation of push‐pull tracer tests. By developing an adaptive algorithm, we overcome the problem of manually defining how many particles have to be used to simulate the transport problem. Beside this, we validate the random walk model by evaluating a push‐pull tracer test with drift phase and confirm the results with MT3DMS. The random walk model took less than 1% of computational time of MT3DMS, thus allowing a remarkable faster evaluation of push‐pull tracer tests.  相似文献   

9.
A modified version of the MODFLOW/MT3DMS‐based reactive transport model PHT3D was developed to extend current reactive transport capabilities to the variably‐saturated component of the subsurface system and incorporate diffusive reactive transport of gaseous species. Referred to as PHT3D‐UZF, this code incorporates flux terms calculated by MODFLOW's unsaturated‐zone flow (UZF1) package. A volume‐averaged approach similar to the method used in UZF‐MT3DMS was adopted. The PHREEQC‐based computation of chemical processes within PHT3D‐UZF in combination with the analytical solution method of UZF1 allows for comprehensive reactive transport investigations (i.e., biogeochemical transformations) that jointly involve saturated and unsaturated zone processes. Intended for regional‐scale applications, UZF1 simulates downward‐only flux within the unsaturated zone. The model was tested by comparing simulation results with those of existing numerical models. The comparison was performed for several benchmark problems that cover a range of important hydrological and reactive transport processes. A 2D simulation scenario was defined to illustrate the geochemical evolution following dewatering in a sandy acid sulfate soil environment. Other potential applications include the simulation of biogeochemical processes in variably‐saturated systems that track the transport and fate of agricultural pollutants, nutrients, natural and xenobiotic organic compounds and micropollutants such as pharmaceuticals, as well as the evolution of isotope patterns.  相似文献   

10.
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   

11.
Solute transport is usually modeled by the advection-dispersion-reaction equation. In the standard approach, mechanical dispersion is a tensor with principal directions parallel and perpendicular to the flow vector. Since realistic scenarios include nonuniform and unsteady flow fields, the governing equation has full tensor mechanical dispersion. When conventional grid-based numerical methods are used, approximation of the cross terms arising from the off-diagonal terms cause nonphysical solution with oscillations. As an example, for the common scenario of contaminant input into a domain with zero initial concentration, the cross-dispersion terms can result in negative concentrations that can wreak havoc in reactive transport applications. To address this issue, we use the well-known flux-corrected-transport (FCT) technique for a standard finite volume method. Although FCT has most often been used to eliminate oscillations resulting from discretization of the advection term for explicit time stepping, we show that it can be adapted for full-tensor dispersion and implicit time stepping. Unlike other approaches based on new discretization techniques (e.g., mimetic finite difference, nonlinear finite volume), FCT has the advantage of being flexible and widely applicable. Implementation of FCT requires solving an additional system of equations at each time step, using a modified “low order” matrix and a modified right-hand-side vector. To demonstrate the flexibility of FCT, we have modified the well-known and widely used groundwater solute transport simulator, MT3DMS. We apply the new simulator, MT3DMS-FCT, to several benchmark problems that suffer from negative concentrations when using MT3DMS. The new results are mass conservative and strictly nonnegative.  相似文献   

12.
13.
3D magnetotelluric modelling including surface topography   总被引:9,自引:0,他引:9  
An edge finite‐element method has been applied to compute magnetotelluric (MT) responses to three‐dimensional (3D) earth topography. The finite‐element algorithm uses a single edge shape function at each edge of hexahedral elements, guaranteeing the continuity of the tangential electric field while conserving the continuity of magnetic flux at boundaries. We solve the resulting system of equations using the biconjugate gradient method with a Jacobian preconditioner. The solution gives electric fields parallel to the slope of a surface relief that is often encountered in MT surveys. The algorithm is successfully verified by comparison with other numerical solutions for a 3D‐2 model for comparison of modelling methods for EM induction and a ridge model. We use a 3D trapezoidal‐hill model to investigate 3D topographic effects, which are caused mainly by galvanic effects, not only in the Zxy mode but also in the Zyx mode. If a 3D topography were approximated by a two‐dimensional topography therefore errors occurring in the transverse electric mode would be more serious than those in the transverse magnetic mode.  相似文献   

14.
We investigate the impact of injection mode (flux and resident injection) and heterogeneity in hydraulic properties on dispersion of advecting particles in two-dimensional discrete fracture network models, using a Monte Carlo method. We find that the injection mode has a significant effect on dispersion: The resident injection mode exhibits anomalous features of transport whereas the flux injection mode tends to Gaussian transport; this observation is easily understood by considering phase diagrams where a limited number of particles entering low velocity fractures greatly increase macrodispersion. In spite of a sizeable portion of negative longitudinal velocities, it is shown that multiple crossings are negligible when quantifying longitudinal macrodispersion. A simple probabilistic expression of particle mass balance is shown to predict well the spatial distribution of advecting particles.  相似文献   

15.
Shang Gao  Zheng N. Fang 《水文研究》2019,33(21):2729-2744
A synthetic storm generator—Dynamic Moving Storm (DMS)—is developed in this study to represent spatio‐temporal variabilities of rainfall and storm movement in synthetic storms. Using an urban watershed as the testbed, the authors investigate the hydrologic responses to the DMS parameters and their interactions. In order to reveal the complex nature of rainfall–run‐off processes, previously simplified assumptions are relaxed in this study regarding (a) temporal variability of rainfall intensity and (b) time‐invariant flow velocity in channel routing. The results of this study demonstrate the significant contribution of storm moving velocity to the variation of peak discharge based on a global sensitivity analysis. Furthermore, a pairwise sensitivity analysis is conducted to elucidate not only the patterns in individual contributions from parameters to hydrologic responses but also their interactions with storm moving velocity. The intricacies of peak discharges resulting from sensitivity analyses are then dissected into independent hydrologic metrics, that is, run‐off volume and standard deviation of run‐off timings, for deeper insights. It is confirmed that peak discharge is increased when storms travel downstream along the main channel at the speed that corresponds to a temporal superposition of run‐off. Spatial concentration of catchment rainfall is found to be a critical linkage through which characteristics of moving storms affect peak discharges. In addition, altering peak timing of rainfall intensity in conjunction with storm movement results in varied storm core locations in the channel network, which further changes the flow attenuation effects from channel routing. For future directions, the DMS generator will be embedded in a stochastic modelling framework and applied in rainfall/flow frequency analysis.  相似文献   

16.
Groundwater temperature is a useful hydrogeological parameter that is easy to measure and can provide much insight into groundwater flow systems, but can be difficult to interpret. For measuring temperature directly in the ground, dedicated specifically designed monitoring wells are recommended since conventional groundwater wells are not optimal for temperature monitoring. Multilevel monitoring of groundwater temperature is required to identify contributions of different possible heat inputs (sources) on measured temperature signals. Interpreting temperature data as a cosine function, including period, average temperature, amplitude, and phase offset, is helpful. Amplitude dampening and increasing phase shift with distance from a boundary can be used for estimation of transport parameters. Temperature measurements at different depths can be used for evaluation of unknown parameters of analytical functions by optimization of regression fits in Python. These estimated parameters can be used to calculate temperatures at known water table depths which can be applied as a fixed transient boundary condition in MT3DMS to overcome the limitations of MT3DMS heat transport modeling in the unsaturated zone. In this study, temperature monitoring and modeling was used to evaluate the influence of a department store's heated basement foundation on groundwater temperature within a green space (city park), with the main outcome that 17 years after construction, the department store foundation has increased the mean groundwater temperature by 3.2 °C. Heat input evaluated by the MT3DMS model varied from 0.1 W/m2 at a distance of 100 m up to 12 W/m2 next to the building.  相似文献   

17.
The passive flux meter (PFM) is a permeable down-hole device designed to measure the magnitudes of horizontal groundwater specific discharge and contaminant mass flux in porous media. By means of a geometrical analysis of resident tracer transport inside a PFM, this paper introduces two new PFM designs capable of measuring both the direction and magnitude of horizontal water and contaminant fluxes. One design relies on the detection of a single resident tracer over multiple domains within the PFM cross section to determine the magnitude and direction of water flux. The second PFM configuration uses the detected loss of multiple resident tracers in different sectors of the PFM cross section to generate the same characterization of water flux. Both designs rely on the assumption of linear, instantaneous and reversible tracer sorption.  相似文献   

18.
Large-scale advective transport through highly heterogeneous 3D formations is investigated using highly resolved numerical simulations and simple analytic models. Investigations are focused on impacts of two types of contaminant injection on transport through isotropic formations where flow conditions are uniform in the average. Transport is quantified by analyzing breakthrough curves for control planes at various distances from the injection zone. In flux-proportional injection mode local mass in injection zone is proportional to local groundwater flux; this setup models many practical cases such as contaminant injection through wells. In resident concentration mode local concentration in injection zone is constant. Results show that impacts of injection mode on breakthrough curves and their moments are strong and they persist for hundreds of correlation scales. The resident concentration mode leads to a fatter tails of the breakthrough curves, while the peaks are generally underpredicted. For a synthetic porous medium with logconductivity variance of 8, dispersivity computed using resident concentration mode at control plane 100 integral scales away from the injection zone was about 10 times larger than corresponding one for flux-proportional mode. Hence, injection mode impacts on transport through highly heterogeneous formations are strong and they persist for large distances from the injection zone.  相似文献   

19.
Arsenic is a well‐known groundwater contaminant that causes toxicological and carcinogenic effects in humans. Predicting the transport of arsenic in the subsurface is often problematic because of its complex sorption characteristics. Numerous researchers have reported that arsenic sorption on soil material is initially fast and then subsequently slow. A dual‐site numerical sorption model was previously developed to describe arsenic desorption from arsenic‐contaminated soils in batch experiments in terms of two different release mechanisms. Experiments involving synthetic acid rain leaching of four arsenic‐contaminated soil columns were performed to verify the dual‐site numerical sorption model in the context of one‐dimensional vertical transport. The fitted models successfully simulated the signature long tailings and the two‐stage arsenic leaching patterns for all four soil columns. The dual‐site sorption model was incorporated within the general solute transport simulation code Modular Three‐Dimensional Multispecies (MT3DMS), version 5.10. The resulting version was named MT3DDS and is available for public access. This experimental study has shown that MT3DDS is capable of simulating phase redistribution during transport, and thus provides a new numerical tool for simulating arsenic transport in the subsurface.  相似文献   

20.
Robert L. Michel 《水文研究》2004,18(7):1255-1269
In the early 1960s, the US Geological Survey began routinely analysing river water samples for tritium concentrations at locations within the Mississippi River basin. The sites included the main stem of the Mississippi River (at Luling Ferry, Louisiana), and three of its major tributaries, the Ohio River (at Markland Dam, Kentucky), the upper Missouri River (at Nebraska City, Nebraska) and the Arkansas River (near Van Buren, Arkansas). The measurements cover the period during the peak of the bomb‐produced tritium transient when tritium concentrations in precipitation rose above natural levels by two to three orders of magnitude. Using measurements of tritium concentrations in precipitation, a tritium input function was established for the river basins above the Ohio River, Missouri River and Arkansas River sampling locations. Owing to the extent of the basin above the Luling Ferry site, no input function was developed for that location. The input functions for the Ohio and Missouri Rivers were then used in a two‐component mixing model to estimate residence times of water within these two basins. (The Arkansas River was not modelled because of extremely large yearly variations in flow during the peak of the tritium transient.) The two components used were: (i) recent precipitation (prompt outflow) and (ii) waters derived from the long‐term groundwater reservoir of the basin. The tritium concentration of the second component is a function of the atmospheric input and the residence times of the groundwaters within the basin. Using yearly time periods, the parameters of the model were varied until a best fit was obtained between modelled and measured tritium data. The results from the model indicate that about 40% of the flow in the Ohio River was from prompt outflow, as compared with 10% for the Missouri River. Mean residence times of 10 years were calculated for the groundwater component of the Ohio River versus 4 years for the Missouri River. The mass flux of tritium through the Mississippi Basin and its tributaries was calculated during the years that tritium measurements were made. The cumulative fluxes, calculated in grams of 3H were: (i) 160 g for the Ohio (1961–1986), (ii) 98 g for the upper Missouri (1963–1997), (iii) 30 g for the Arkansas (1961–1997) and (iv) 780 g for the Mississippi (1961–1997). Copyright © 2004 John Wiley & Sons, Ltd.  相似文献   

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