An investigation of numerical grid effects in parameter estimation

Modern ground water characterization and remediation projects routinely require calibration and inverse analysis of large three-dimensional numerical models of complex hydrogeological systems. Hydrogeologic complexity can be prompted by various aquifer characteristics including complicated spatial hydrostratigraphy and aquifer recharge from infiltration through an unsaturated zone. To keep the numerical models computationally efficient, compromises are frequently made in the model development, particularly, about resolution of the computational grid and numerical representation of the governing flow equation. The compromise is required so that the model can be used in calibration, parameter estimation, performance assessment, and analysis of sensitivity and uncertainty in model predictions. However, grid properties and resolution as well as applied computational schemes can have large effects on forward-model predictions and on inverse parameter estimates. We investigate these effects for a series of one- and two-dimensional synthetic cases representing saturated and variably saturated flow problems. We show that "conformable" grids, despite neglecting terms in the numerical formulation, can lead to accurate solutions of problems with complex hydrostratigraphy. Our analysis also demonstrates that, despite slower computer run times and higher memory requirements for a given problem size, the control volume finite-element method showed an advantage over finite-difference techniques in accuracy of parameter estimation for a given grid resolution for most of the test problems.     

Evaluation of the Ross fast solution of Richards’ equation in unfavourable conditions for standard finite element methods

Ross [Ross PJ. Modeling soil water and solute transport – fast, simplified numerical solutions. Agron J 2003;95:1352–61] developed a fast, simplified method for solving Richards’ equation. This non-iterative 1D approach, using Brooks and Corey [Brooks RH, Corey AT. Hydraulic properties of porous media. Hydrol. papers, Colorado St. Univ., Fort Collins; 1964] hydraulic functions, allows a significant reduction in computing time while maintaining the accuracy of the results. The first aim of this work is to confirm these results in a more extensive set of problems, including those that would lead to serious numerical difficulties for the standard numerical method. The second aim is to validate a generalisation of the Ross method to other mathematical representations of hydraulic functions.     

A new saturated/unsaturated model for stormwater infiltration systems

Infiltration systems are widely used as an effective urban stormwater control measure. Most design methods and models roughly approximate the complex physical flow processes in these systems using empirical equations and fixed infiltration rates to calculate emptying times from full. Sophisticated variably saturated flow models are available, but rarely applied owing to their complexity. This paper describes the development and testing of an integrated one‐dimensional model of flow through the porous storage of a typical infiltration system and surrounding soils. The model accounts for the depth in the storage, surrounding soil moisture conditions and the interaction between the storage and surrounding soil. It is a front‐tracking model that innovatively combines a soil‐moisture‐based solution of Richard's equation for unsaturated flow with piston flow through a saturated zone as well as a reservoir equation for flow through a porous storage. This allows the use of a simple non‐iterative numerical solution that can handle ponded infiltration into dry soils. The model is more rigorous than approximate stormwater infiltration system models and could therefore be valuable in everyday practice. A range of test cases commonly used to test soil water flow models for infiltration in unsaturated conditions, drainage from saturation and infiltration under ponded conditions were used to test the model along with an experiment with variable depth in a porous storage over saturated conditions. Results show that the model produces a good fit to the observed data, analytical solutions and Hydrus. Copyright © 2008 John Wiley & Sons, Ltd.     

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.     

Coordinate mapping of analytical contaminant transport solutions to non-uniform flow fields

Existing analytical solutions to 2D and 3D contaminant transport problems are limited by the mathematically convenient assumption of uniform flow. An approximate method is developed herein for coordinate mapping of 2D (vertically-averaged) transport solutions to non-uniform steady-state irrotational and divergence-free flow fields in single-layer aquifers. The method enables existing analytical transport solutions to be applied to aquifer systems with wells, non-uniform saturated thickness, surface water features, and (to a limited degree) heterogeneous hydraulic conductivity and recharge. This mass-conservative coordinate mapping approach is inexact in its approximation of the dispersion process but is still sufficiently accurate for many simple flow systems. The degree of model error is directly proportional to the variation of velocity magnitude within the domain. These mapped analytical solutions are compared to numerical simulation results and the coordinate mapping errors are investigated. The methods described herein may be used in the traditional capacity of analytical transport models, i.e., screening and preliminary site assessment, without sacrificing accuracy by assuming locally uniform flow conditions or applying an ad-hoc coordinate transformation. The solutions benefit from the traditional advantages of analytical methods, particularly the removal of artifacts due to spatial and temporal discretization: no time-stepping or numerical discretization is required.     

A quasi three-dimensional model for flow and transport in unsaturated and saturated zones: 1. Implementation of the quasi two-dimensional case

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.     

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.     

Comparison of an algebraic multigrid algorithm to two iterative solvers used for modeling ground water flow and transport

Numerical solution of large-scale ground water flow and transport problems is often constrained by the convergence behavior of the iterative solvers used to solve the resulting systems of equations. We demonstrate the ability of an algebraic multigrid algorithm (AMG) to efficiently solve the large, sparse systems of equations that result from computational models of ground water flow and transport in large and complex domains. Unlike geometric multigrid methods, this algorithm is applicable to problems in complex flow geometries, such as those encountered in pore-scale modeling of two-phase flow and transport. We integrated AMG into MODFLOW 2000 to compare two- and three-dimensional flow simulations using AMG to simulations using PCG2, a preconditioned conjugate gradient solver that uses the modified incomplete Cholesky preconditioner and is included with MODFLOW 2000. CPU times required for convergence with AMG were up to 140 times faster than those for PCG2. The cost of this increased speed was up to a nine-fold increase in required random access memory (RAM) for the three-dimensional problems and up to a four-fold increase in required RAM for the two-dimensional problems. We also compared two-dimensional numerical simulations of steady-state transport using AMG and the generalized minimum residual method with an incomplete LU-decomposition preconditioner. For these transport simulations, AMG yielded increased speeds of up to 17 times with only a 20% increase in required RAM. The ability of AMG to solve flow and transport problems in large, complex flow systems and its ready availability make it an ideal solver for use in both field-scale and pore-scale modeling.     

A two‐dimensional model of hydraulic performance of stormwater infiltration systems

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.     

Sensitivity and moment analyses of head in variably saturated regimes

A numerical approach for approximating statistical moments of hydraulic heads of variably saturated flows in multi-dimensional porous media is developed. The approximation relies on a first-order Taylor series expansion of a finite element flow model and an adjoint state numerical method for variably saturated flows to evaluate sensitivities. This approach can be employed to analyze uncertainties associated with predictions of head of steady-state or transient flows in variably saturated porous media, with any type of boundary and initial conditions. Limitations of stochastic analytical methods such as spectral/perturbation approaches and the time-consuming Monte Carlo simulation technique are thus alleviated. An example is given to demonstrate the utility of the approach and to investigate the temporal evolution of head variances in a variably saturated flow regime. Results show that the fluctuation of the water table can have significant impacts on the propagation of the head variance.     

A modification to the Bouwer and Rice method of slug-test analysis for large-diameter, hand-dug wells

The Bouwer and Rice method of estimating the saturated hydraulic conductivity (Ks) from slug-test data was evaluated for geometries typical of hand-dug wells. A two-dimensional, radially symmetric and variably saturated, ground water transport model was used to simulate well recovery given a range of well and aquifer geometries and unsaturated soil properties, the latter in terms of the van Genuchten parameters. The standard Bouwer and Rice method, when applied to the modeled recharge rates, underestimated Ks by factors ranging from 1.3 to 5.6, depending on the well geometry and the soil type. The Bouwer and Rice analytical solution was modified to better explain the recovery rates as predicted by the numerical model, which revealed a significant dependence on the unsaturated soil for the shallow and wide geometries that are typical of traditional wells. The modification introduces a new parameter to the Bouwer and Rice analysis that is a measure of soil capillarity which improves the accuracy of Ks estimates by tenfold for the geometries tested.     

Flow in unsaturated random porous media,nonlinear numerical analysis and comparison to analytical stochastic models

This work presents a rigorous numerical validation of analytical stochastic models of steady state unsaturated flow in heterogeneous porous media. It also provides a crucial link between stochastic theory based on simplifying assumptions and empirical field and simulation evidence of variably saturated flow in actual or realistic hypothetical heterogeneous porous media. Statistical properties of unsaturated hydraulic conductivity, soil water tension, and soil water flux in heterogeneous soils are investigated through high resolution Monte Carlo simulations of a wide range of steady state flow problems in a quasi-unbounded domain. In agreement with assumptions in analytical stochastic models of unsaturated flow, hydraulic conductivity and soil water tension are found to be lognormally and normally distributed, respectively. In contrast, simulations indicate that in moderate to strong variable conductivity fields, longitudinal flux is highly skewed. Transverse flux distributions are leptokurtic. the moments of the probability distributions obtained from Monte Carlo simulations are compared to modified first-order analytical models. Under moderate to strong heterogeneous soil flux conditions (σ²_y≥1), analytical solutions overestimate variability in soil water tension by up to 40% as soil heterogeneity increases, and underestimate variability of both flux components by up to a factor 5. Theoretically predicted model (cross-)covariance agree well with the numerical sample (cross-)covarianaces. Statistical moments are shown to be consistent with observed physical characteristics of unsaturated flow in heterogeneous soils.©1998 Elsevier Science Limited. All rights reserved     

Predicting Soil-Water and Soil-Air Transport Properties and Their Effects on Soil-Vapor Extraction Efficiency

Accurate prediction of water and air Iran sport parameters in variably saturated soil is necessary for modeling of soil-vapor extraction (SVE) at soil sites contaminated with volatile organic chemicals (VOCs). An expression for predicting saturated water permeability (k_l,s) in undisturbed soils from the soil total porosity and the field capacity soil-water content was developed by fitting a tortuous-tube fluid flow model to measured water permeability and gas diffusivity data. The new k_l,s expression gave accurate predictions when tested against independent k_l,s data. The k_l,s expression was implemented in the Campbell relative water permeability model to yield a predictive model for water permeability in variably saturated, undisturbed soil. The water permeability model, together with recently developed predictive equations for gas permeability and gas diffusivity, was used in a two-dimensional numerical SVE model that also included non-equilibrium mass transfer of VOC from a separate phase (nonaqueous phase liquid [NAPL]) to the air phase. SVE: calculations showed that gas permeability is likely the most important factor controlling VOC migration and vapor extraction efficiency. Water permeability and gas diffusivity effects became significant at water contents near and above field capacity. The NAPL-air mass transfer coefficient also had large impacts on simulated vapor extraction efficiency. The calculations suggest that realistic SVE models need to include predictive expressions for both conveciive, diffusive. and phase-partitioning processes in natural, undisturbed soils.     

NUMERICAL SIMULATION OF HEAD-CUT WITH A TWO-LAYERED BED

1INTRODUCTION The rate of gully erosion is dominated by the upstream migration of existing nick-points called headcut.Due to the shape of the headcut,the flow from the upstream channel impinges into the pool of the scour hole and forms a complex three-dimensional flow structure.The turbulent flow deepens the scour hole,transports the eroded material downstream,undercuts the headcut wall and creates gravitational slumping of the gully head material.In reality,the occurrence of a head cut i…     

自适应时间步长法及三维堤坝地震液化数值模拟

三维大模型数值计算因巨大的单元和结点数目而非常耗时,在地震响应分析中受计算时间步长的限值则更加耗时。在饱和砂土动力液化计算平台上开发时域离散误差评估方法和时间步长自适应调整的计算程序,并成功应用于三维堤坝地震液化响应分析。时域离散误差包括土骨架的位移误差和单元孔压误差,通过定义孔压误差影响系数计算出混合误差,根据混合误差和设定的误差允许值进行计算步长的自适应调整。在三维堤坝地震液化数值模拟中,采用自适应时间步长法有效避免小步长精确但耗时、大步长省时而不精确的缺点。在大模型和超大模型计算中,最优调整每一步的计算时间步长,完美实现既节省时间又不失精度的时域离散策略。     

Finite element analysis of water flow in variably saturated soil

A two-dimensional Galerkin finite element model for water flow in variably saturated soil is presented. A fourth-order Runge-Kutta time integration method is employed which allows use of time steps at least 2 times greater than for a traditional finite difference approximation of time derivatives. For short total simulation times computer execution costs for the Runge-Kutta method are greater than for the finite difference approximation due to the start up cost of the Runge-Kutta method, but for longer simulation times the Runge-Kutta method requires considerably less computational effort even when automatic time-step adjustment is used with the finite difference procedure. A comparison of the method of influence coefficients and 2 × 2 Gaussian integration to compute element matrices indicates that the influence coefficient method reduces total execution time to 60% of that required for numerical quadrature. Computed pressure heads using the influence coefficient method and numerical integration are found to be in close agreement with each other even under conditions of highly non-linear soil properties in a heterogeneous domain. Fluxes computed by the two methods are also generally in close agreement except under extremely non-linear conditions when some deviations were observed at short simulation times.     

Efficient methods for solving water flow in variably saturated soils under prescribed flux infiltration

The non-linear solvers in numerical solutions of water flow in variably saturated soils are prone to convergence difficulties. Many aspects can give rise to such difficulties and in this paper we address the gravity term and the prescribed-flux boundary in the Picard iteration. The problem of the gravity term in the Picard iteration is iteration-to-iteration oscillation as the gravity term is treated, by analogy with the time-step advance technique, ‘explicitly’ in the iteration. The proposed method for the gravity term is an improvement of the ‘implicit’ approach of Zhang and Ewen [Water Resour. Res. 36 (2000) 2777] by extending it to heterogeneous soil and approximating the inter-nodal hydraulic conductivity in the diffusive term and the gravity term with the same scheme. The prescribed-flux boundary in traditional methods also gives rise to iteration-to-iteration oscillation because there is no feedback to the flux in the solution at the new iteration. To reduce such oscillation, a new method is proposed to provide such a feedback to the flux. Comparison with traditional Picard and Newton iteration methods for a wide range of problems show that a combination of these two proposed methods greatly improves the stability and consequently the computational efficiency, making the use of small time step and/or under-relaxation solely for convergence unnecessary.     

Modeling of non-isothermal multi-component reactive transport in field scale porous media flow systems

A general 2-D finite element multi-component reactive transport code, TRANQUI, was developed, using a sequential iteration approach (SIA). It is well suited to deal with complex real-world thermo-hydro-geochemical problems for single-phase variably water saturated porous media flow systems. The model considers a wide range of hydrological and thermodynamic as well as chemical processes such as aqueous complexation, acid-base, redox, mineral dissolution/precipitation, gas dissolution/ex-solution, ion exchange and adsorption via surface complexation. Under unsaturated conditions only water flow is considered, although gas pressures are allowed to vary in space in a depth-dependent manner specified by the user. In addition to the fully iterative sequential approach (SIA), a sequential non-iterative approach (SNIA), in which transport and chemistry are de-coupled, was implemented and tested. The accuracy and numerical performance of SIA and SNIA have been compared using several test cases. The accuracy of SNIA depends on space and time discretization as well as on the nature of the chemical reactions. The capability of the code to model a real case study in the field is illustrated by its application to the modeling of the hydrochemical evolution of the Llobregat Delta aquitard in northeastern Spain over the last 3500 years during when fresh-water flow from a lower aquifer displaced the native saline aquitard waters. Manzano and Custodio carried out a reactive transport model of this case study by using the PHREEQM code and considering water flow, aqueous complexation, cation exchange and calcite dissolution. Their results compare favorably well with measured porewater chemical data, except for some of the cations. Our code is not only able to reproduce the results of previous numerical models, but leads to computed concentrations which are closer to measured data mainly because our model takes into consideration redox processes in addition to the processes mentioned above. A number of sensitivity runs were performed with TRANQUI in order to analyze the effect of errors and uncertainties on cation selectivities.     

A practical numerical method for large strain liquefaction analysis of saturated soils

Accurate prediction of the liquefaction of saturated soils is based on strong coupling between the pore fluid phase and soil skeleton. A practical numerical method for large strain dynamic analysis of saturated soils is presented. The u–p formulation is used for the governing equations that describe the coupled problem in terms of soil skeleton displacement and excess pore pressure. A mixed finite element and finite difference scheme related to large strain analysis of saturated soils based on the updated Lagrangian method is given. The equilibrium equation of fluid-saturated soils is spatially discretized by the finite element method, whereas terms associated with excess pore pressure in the continuity equation are spatially discretized by the finite difference method. An effective cyclic elasto-plastic constitutive model is adopted to simulate the non-linear behavior of saturated soils under dynamic loading. Several numerical examples that include a saturated soil column and caisson-type quay wall are presented to verify the accuracy of the method and its usefulness and applicability to solutions of large strain liquefaction analysis of saturated soils in practical problems.