Numerical Simulation of Solute Transport in Saturated Porous Media with Bounded Domains

This work presents the first attempt to develop unconditionally stable, implicit finite difference solutions of one-sided spatial fractional advection-dispersion equation (s-FADE) by imposing the nonzero Dirichlet boundary condition (ND BC) or the nonzero fractional Robin boundary condition (NFR BC) at inlet boundary and the zero fractional Neumann boundary condition (ZFN BC) at outlet boundary. The results of the numerical studies performed using artificial solute transport parameters demonstrated that the numerical solution with the NFR BC as the inlet boundary produced much more realistic concentration values. The numerical solution with the NFR BC at the inlet boundary was capable of correctly describing the Fickian and non-Fickian behaviors of the solute transport at different α values, and it had the relatively same accuracy at different numbers of the spatial nodes. Also, the practical application of the numerical solution with the NFR BC as the inlet boundary was investigated by conducting tracer experiments in homogeneous and heterogeneous soil columns. According to the obtained results, this numerical solution described well solute transport in the homogenous and heterogeneous soils. The α values of the homogeneous and heterogeneous soils were obtained in the ranges of 1.849–1.999 and 1.248–1.570, respectively, which were in excellent agreement with the physical properties of the soils. In a nutshell, the numerical solution of the s-FADE with the NFR BC as the inlet boundary can be successfully applied to describe the solute transport in the homogeneous and heterogeneous soils with bounded spatial domains.     

Modeling Variably Saturated Multispecies Reactive Groundwater Solute Transport with MODFLOW‐UZF and RT3D

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.     

Two-Dimensional Flow and Mass Transport through Variably Saturated Porous Media from a Surface Waste Storage

Water Resources - Numerical calculations in DHI FEFLOW software environment were used to assess the effect of variably saturated zone parameters on capillary barrier formation. The sensitivity of...     

Modeling Variably Saturated Subsurface Solute Transport with MODFLOW‐UZF and MT3DMS

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.     

Experiment and Simulation of Non-Reactive Solute Transport in Porous Media

To more accurately predict the migration behavior of pollutants in porous media, we conduct laboratory scale experiments and model simulation. Aniline (AN) is used in one-dimensional soil column experiments designed under various media and hydrodynamic conditions. The advection-dispersion equation (ADE) and the continuous-time random walk (CTRW) were used to simulate the breakthrough curves (BTCs) of the solute transport. The results show that the media and hydrodynamic conditions are two important factors affecting solute transport and are related to the degree of non-Fickian transport. The simulation results show that CTRW can more effectively describe the non-Fickian phenomenon in the solute transport process than ADE. The sensitive parameter in the CTRW simulation process is , which can reflect the degree of non-Fickian diffusion in the solute transport. Understanding the relationship of with velocity and media particle size is conducive to improving the reactive solute transport model. The results of this study provide a theoretical basis for better prediction of pollutant transport in groundwater.     

PHT3D‐UZF: A Reactive Transport Model for Variably‐Saturated Porous Media

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.     

Methods and Results of Numerical Modeling of Reactive Solute Transport in River Flow

The equation of advection–diffusion transport of a reactive solute in a stream is solved by different methods. Procedures for evaluating the parameters of a four-node finite-difference approximation used to numerically integrate this equation are proposed. Numerical experiments based on the developed numerical procedures, software, and models of solute transport allowed, in particular, the evaluation of the sensitivity of pollutant concentration estimates to variations in the parameters of interaction processes and hydrodynamic dispersion for a lowland river.     

Solute and Heat Transport Model of the Henry and Hilleke Laboratory Experiment

SEAWAT is a coupled version of MODFLOW and MT3DMS designed to simulate variable-density ground water flow and solute transport. The most recent version of SEAWAT, called SEAWAT Version 4, includes new capabilities to represent simultaneous multispecies solute and heat transport. To test the new features in SEAWAT, the laboratory experiment of Henry and Hilleke (1972) was simulated. Henry and Hilleke used warm fresh water to recharge a large sand-filled glass tank. A cold salt water boundary was represented on one side. Adjustable heating pads were used to heat the bottom and left sides of the tank. In the laboratory experiment, Henry and Hilleke observed both salt water and fresh water flow systems separated by a narrow transition zone. After minor tuning of several input parameters with a parameter estimation program, results from the SEAWAT simulation show good agreement with the experiment. SEAWAT results suggest that heat loss to the room was more than expected by Henry and Hilleke, and that multiple thermal convection cells are the likely cause of the widened transition zone near the hot end of the tank. Other computer programs with similar capabilities may benefit from benchmark testing with the Henry and Hilleke laboratory experiment.     

Simulation of Tidal Effects on Contaminant Transport in Porous Media

A one-dimensional numerical model is developed with oscillating velocities and dispersions to simulate the migration process of a contaminant plume within tidally influenced aquifers. Model simulations demonstrate that a major effect the tidal fluctuation has on the migration process of a contaminant plume is the exit concentration discharging to the tidal estuary. Tidal fluctuation causes the exit concentration levels to be significantly diluted by the surface-water body of the estuary. Sensitivity analyses demonstrate that tidal fluctuation hastens the rate of plume migration near the bank of the estuary because of the relatively high advective and dispersive fluxes induced by tides. However, tides affect the migration process only over a short distance from the tidal-water interface (about 40 ft for the parameters used in this study). If the contaminant plume is located far beyond the interface, tidal fluctuations will not affect the rate of plume migration until an existing regional ground-water flow velocity brings the plume to the tidally active zone. With or without tides, the rate of contaminant migration increases with higher regional hydraulic gradient. Furthermore, the effects of tidal fluctuations on the transport process become insignificant with higher regional hydraulic gradients.     

基于Comsol的饱和多孔介质动力方程的数值模拟及应用

两相饱和多孔介质的动力响应问题在地震工程领域具有重要的研究意义,由于涉及到固相和液相的动力耦合,使得该问题的求解尤为复杂。本文利用Comsol在求解多场耦合问题上的优点,针对Biot饱和多孔介质u-U耦合形式下的波动方程特征,经过一系列微分算子运算和矩阵变换得到导数形式下的波动方程,基于Comsol Multiphysics提供的广义偏微分方程模式对变形后的波动方程进行求解,并把改进后的无限元边界应用到无限域动力问题的模拟中。通过与饱和多孔介质动力响应的解析解进行对比,验证模型求解技术的可行性和正确性,并在此基础上讨论饱和土地基中空沟隔振效果与饱和土体参数孔隙率、泊松比的关系。通过研究分析,可以为饱和土地基中空沟隔振设计提供一些有价值的参考。