共查询到20条相似文献，搜索用时 937 毫秒
1.
Eric D. Morway Richard G. Niswonger Christian D. Langevin Ryan T. Bailey Richard W. Healy 《Ground water》2013,51(2):237-251
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.
Ryan T. Bailey Eric D. Morway Richard G. Niswonger Timothy K. Gates 《Ground water》2013,51(5):752-761
A numerical model was developed that is capable of simulating multispecies reactive solute transport in variably saturated porous media. This model consists of a modified version of the reactive transport model RT3D (Reactive Transport in 3 Dimensions) that is linked to the Unsaturated‐Zone Flow (UZF1) package and MODFLOW. Referred to as UZF‐RT3D, the model is tested against published analytical benchmarks as well as other published contaminant transport models, including HYDRUS‐1D, VS2DT, and SUTRA, and the coupled flow and transport modeling system of CATHY and TRAN3D. Comparisons in one‐dimensional, two‐dimensional, and three‐dimensional variably saturated systems are explored. While several test cases are included to verify the correct implementation of variably saturated transport in UZF‐RT3D, other cases are included to demonstrate the usefulness of the code in terms of model run‐time and handling the reaction kinetics of multiple interacting species in variably saturated subsurface systems. As UZF1 relies on a kinematic‐wave approximation for unsaturated flow that neglects the diffusive terms in Richards equation, UZF‐RT3D can be used for large‐scale aquifer systems for which the UZF1 formulation is reasonable, that is, capillary‐pressure gradients can be neglected and soil parameters can be treated as homogeneous. Decreased model run‐time and the ability to include site‐specific chemical species and chemical reactions make UZF‐RT3D an attractive model for efficient simulation of multispecies reactive transport in variably saturated large‐scale subsurface systems. 相似文献
3.
MODFLOW/MT3DMS-based reactive multicomponent transport modeling 总被引：4，自引：0，他引：4
This paper presents a three-dimensional, MODFLOW/MT3DMS-based reactive multicomponent transport model for saturated porous media. Based on a split-operator technique, the model, referred to as PHT3D, couples the transport simulator MT3DMS and the geochemical modeling code PHREEQC-2. Through the flexible, generic nature of PHREEQC-2, PHT3D can handle a broad range of equilibrium and kinetically controlled reactive processes, including aqueous complexation, mineral precipitation/dissolution, and ion exchange. The diversity of potential applications is demonstrated through simulation of five existing literature benchmarks and a new three-dimensional sample problem. The model might be applied to simulate the geochemical evolution of pristine and contaminated aquifers as well as their cleanup. The latter problem class includes the natural and enhanced attenuation/remediation schemes of a wide range of organic and inorganic contaminants. Processes/reactions not included in the standard PHREEQC-2 database but typical for this type of application (e.g., NAPL dissolution, microbial growth/decay) can be defined and included via the extensible PHREEQC-2 database file. 相似文献
4.
5.
Sahila Beegum Jiří Šimůnek Adam Szymkiewicz K. P. Sudheer Indumathi M. Nambi 《Ground water》2019,57(3):392-408
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
6.
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
7.
Stormwater infiltration systems are a popular method for urban stormwater control. They are often designed using an assumption of one‐dimensional saturated outflow, although this is not very accurate for many typical designs where two‐dimensional (2D) flows into unsaturated soils occur. Available 2D variably saturated flow models are not commonly used for design because of their complexity and difficulties with the required boundary conditions. A purpose‐built stormwater infiltration system model was thus developed for the simulation of 2D flow from a porous storage. The model combines a soil moisture–based model for unsaturated soils with a ponded storage model and uses a wetting front‐tracking approach for saturated flows. The model represents the main physical processes while minimizing input data requirements. The model was calibrated and validated using data from laboratory 2D stormwater infiltration trench experiments. Calibrations were undertaken using five different combinations of calibration data to examine calibration data requirements. It was found that storage water levels could be satisfactorily predicted using parameters calibrated with either data from laboratory soils tests or observed water level data, whereas the prediction of soil moistures was improved through the addition of observed soil moisture data to the calibration data set. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
8.
Modified Mixed Lagrangian–Eulerian Method Based on Numerical Framework of MT3DMS on Cauchy Boundary 
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下载免费PDF全文 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
9.
Richard W. Healy Sosina S. Haile David L. Parkhurst Scott R. Charlton 《Ground water》2018,56(5):810-815
Variably saturated groundwater flow, heat transport, and solute transport are important processes in environmental phenomena, such as the natural evolution of water chemistry of aquifers and streams, the storage of radioactive waste in a geologic repository, the contamination of water resources from acid‐rock drainage, and the geologic sequestration of carbon dioxide. Up to now, our ability to simulate these processes simultaneously with fully coupled reactive transport models has been limited to complex and often difficult‐to‐use models. To address the need for a simple and easy‐to‐use model, the VS2DRTI software package has been developed for simulating water flow, heat transport, and reactive solute transport through variably saturated porous media. The underlying numerical model, VS2DRT, was created by coupling the flow and transport capabilities of the VS2DT and VS2DH models with the equilibrium and kinetic reaction capabilities of PhreeqcRM. Flow capabilities include two‐dimensional, constant‐density, variably saturated flow; transport capabilities include both heat and multicomponent solute transport; and the reaction capabilities are a complete implementation of geochemical reactions of PHREEQC. The graphical user interface includes a preprocessor for building simulations and a postprocessor for visual display of simulation results. To demonstrate the simulation of multiple processes, the model is applied to a hypothetical example of injection of heated waste water to an aquifer with temperature‐dependent cation exchange. VS2DRTI is freely available public domain software. 相似文献
10.
Erick Carlier 《水文研究》2008,22(17):3500-3506
An analytical transport‐model was developed to simulate the propagation of a contaminant in one‐ and two‐dimensional transient flow in groundwater. It is proved that the distribution of concentration at a given time and for a given discharge is identical to that obtained for a different discharge if the volumetric flux of water is the same in the two cases. The results of simulations have been compared with results obtained using the MT3DMS numerical model. There is good agreement when the calculated concentrations are flux‐weighted concentrations. On the other hand, there is a notable divergence when the resident mode is considered. Resident mode concentrations express the mass per unit volume whereas flux mode concentrations express the ratio of mass flux to fluid flux. The solutions presented in this paper can thus be a useful alternative to code MT3DMS when the objective is to simulate concentrations in transient flow according to a resident mode. Copyright © 2008 John Wiley & Sons, Ltd. 相似文献
11.
A three‐dimensional model for predicting redox controlled, multi‐species reactive transport processes in groundwater systems is presented. The model equations were fully integrated within a MODFLOW‐family reactive transport code, RT3D. The model can simulate organic compound biodegradation coupled to different terminal electron acceptor processes. A computational approach, which uses the spatial and temporal distribution of the rates of different redox reactions, is proposed to map redox zones. The method allows one to quantify and visualize the biological degradation reactions occurring in three distinct patterns involving fringe, pseudo‐core and core processes. The capabilities of the numerical model are demonstrated using two hypothetical examples: a batch problem and a simplified two‐dimensional reactive transport problem. The model is then applied to an unconfined aquifer underlying a leaking landfill located near the city of Turin, in Piedmont (Italy). At this site, high organic load from the landfill leachate activates different biogeochemical processes, including aerobic degradation, denitrification, manganese reduction, iron reduction, sulfate reduction and methanogenesis. The model was able to describe and quantify these complex biogeochemical processes. The proposed model offers a rational framework for simulating coupled reactive transport processes occurring beneath a landfill site. Copyright © 2008 John Wiley & Sons, Ltd. 相似文献
12.
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
13.
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
14.
A quasi three-dimensional (QUASI 3-D) model is presented for simulating the subsurface water flow and solute transport in the unsaturated and in the saturated zones of soil. The model is based on the assumptions of vertical flow in the unsaturated zone and essentially horizontal groundwater flow. The 1-D Richards equation for the unsaturated zone is coupled at the phreatic surface with the 2-D flow equation for the saturated zone. The latter was obtained by averaging 3-D flow equation in the saturated zone over the aquifer thickness. Unlike the Boussinesq equation for a leaky-phreatic aquifer, the developed model does not contain a storage term with specific yield and a source term for natural replenishment. Instead it includes a water flux term at the phreatic surface through which the Richards equation is linked with the groundwater flow equation. The vertical water flux in the saturated zone is evaluated on the basis of the fluid mass balance equation while the horizontal fluxes, in that equation, are prescribed by Darcy law. A 3-D transport equation is used to simulate the solute migration. A numerical algorithm to solve the problem for the general quasi 3-D case was developed. The developed methodology was exemplified for the quasi 2-D cross-sectional case (QUASI2D). Simulations for three synthetic problems demonstrate good agreement between the results obtained by QUASI2D and two fully 2-D flow and transport codes (SUTRA and 2DSOIL). Yet, simulations with the QUASI2D code were several times faster than those by the SUTRA and the 2DSOIL codes. 相似文献
15.
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
16.
At complex sites there may be many potential sources of contaminants within the vadose zone. Screening‐level analyses are useful to identify which potential source areas should be the focus of detailed investigation and analysis. A source screening module (SSM) has been developed to support preliminary evaluation of the threat posed by vadose zone waste sites on groundwater quality. This tool implements analytical solutions to simulate contaminant transport through the unsaturated and saturated zones to predict time‐varying concentrations at potential groundwater receptors. The SSM integrates several transport processes in a single simulation that is implemented within a user‐friendly, Microsoft Excel? ‐ based interface. 相似文献
17.
A one‐dimensional, two‐layer solute transport model is developed to simulate chemical transport process in an initially unsaturated soil with ponding water on the soil surface before surface runoff starts. The developed mathematical model is tested against a laboratory experiment. The infiltration and diffusion processes are mathematically lumped together and described by incomplete mixing parameters. Based on mass conservation and water balance equations, the model is developed to describe solute transport in a two‐zone layer, a ponding runoff zone and a soil mixing zone. The two‐zone layer is treated as one system to avoid describing the complicated chemical transport processes near the soil surface in the mixing zone. The proposed model was analytically solved, and the solutions agreed well with the experimental data. The developed experimental method and mathematical model were used to study the effect of the soil initial moisture saturation on chemical concentration in surface runoff. The study results indicated that, when the soil was initially saturated, chemical concentration in surface runoff was significantly (two orders of magnitude) higher than that with initially unsaturated soil, while the initial chemical concentrations at the two cases were of the same magnitude. The soil mixing depth for the initially unsaturated soil was much larger than that for the initially saturated soil, and the incomplete runoff mixing parameter was larger for the initially unsaturated soil. The higher the infiltration rate of the soil, the greater the infiltration‐related incomplete mixing parameter. According to the quantitative analysis, the soil mixing depth was found to be sensitive for both initially unsaturated and saturated soils, and the incomplete runoff mixing parameter was sensitive for initially saturated soil but not for the initially unsaturated soil; the incomplete infiltration mixing parameter behaved just the opposite. Some suggestions are made for reducing chemical loss from runoff. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
18.
Small‐scale hyporheic zone (HZ) models often use a spatial periodic boundary (SPB) pair to simulate an infinite repetition of bedforms. SPB's are common features of commercially available multiphysics modeling packages. MODFLOW's lack of this boundary type has precluded it from being effectively utilized in this area of HZ research. We present a method to implement the SPB in MODFLOW by development of the appropriate block‐centered finite‐difference expressions. The implementation is analogous to MODFLOW's general head boundary package. The difference is that the terms on the right hand side of the solution equations must be updated with each iteration. Consequently, models that implement the SPB converge best with solvers that perform both inner and outer iterations. The correct functioning of the SPB condition in MODFLOW is verified by two examples. This boundary condition allows users to build HZ‐bedform models in MODFLOW, facilitating further research using related codes such as MT3DMS and PHT3D. 相似文献
19.
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
20.
B. Cochepin L. Trotignon O. Bildstein C.I. Steefel V. Lagneau J. Van der lee 《Advances in water resources》2008,31(12):1540-1551
Porosity evolution at reactive interfaces is a key process that governs the evolution and performances of many engineered systems that have important applications in earth and environmental sciences. This is the case, for example, at the interface between cement structures and clays in deep geological nuclear waste disposals. Although in a different transport regime, similar questions arise for permeable reactive barriers used for biogeochemical remediation in surface environments.The COMEDIE project aims at investigating the coupling between transport, hydrodynamics and chemistry when significant variations of porosity occur. The present work focuses on a numerical benchmark used as a design exercise for the future COMEDIE-2D experiment. The use of reactive transport simulation tools like Hytec and Crunch provides predictions of the physico-chemical evolutions that are expected during the future experiments in laboratory. Focus is given in this paper on the evolution during the simulated experiment of precipitate, permeability and porosity fields.A first case is considered in which the porosity is constant. Results obtained with Crunch and Hytec are in relatively good agreement. Differences are attributable to the models of reactive surface area taken into account for dissolution/precipitation processes. Crunch and Hytec simulations taking into account porosity variations are then presented and compared. Results given by the two codes are in qualitative agreement, with differences attributable in part to the models of reactive surface area for dissolution/precipitation processes. As a consequence, the localization of secondary precipitates predicted by Crunch leads to lower local porosities than for predictions obtained by Hytec and thus to a stronger coupling between flow and chemistry. This benchmark highlights the importance of the surface area model employed to describe systems in which strong porosity variations occur as a result of dissolution/precipitation. The simulation of highly non-linear reactive transport systems is also shown to be partly dependent on specific numerical approaches. 相似文献