A parallel mesh-free contaminant transport model based on the Analytic Element and Streamline Methods

This paper introduces a new method for simulating large-scale subsurface contaminant transport that combines an Analytic Element Method (AEM) groundwater flow solution with a split-operator Streamline Method for modeling reactive transport. The key feature of the method is the manner in which the vertically integrated AEM flow solution is used to construct three-dimensional particle tracks that define the geometry of the Streamline Method. The inherently parallel nature of the algorithm supports the development of reactive transport models for spatial domains much larger than current grid-based methods. The applicability of the new approach is verified for cases with negligible transverse dispersion through comparisons to analytic solutions and existing numerical solutions, and parallel performance is demonstrated through a realistic test problem based on the regional-scale transport of agricultural contaminants from spatially distributed sources.     

Probabilistic sensitivity and modeling of two-dimensional transport in porous media

A reliability approach is used to develop a probabilistic model of two-dimensional non-reactive and reactive contaminant transport in porous media. The reliability approach provides two important quantitative results: an estimate of the probability that contaminant concentration is exceeded at some location and time, and measures of the sensitivity of the probabilistic outcome to likely changes in the uncertain variables. The method requires that each uncertain variable be assigned at least a mean and variance; in this work we also incorporate and investigate the influence of marginal probability distributions. Uncertain variables includex andy components of average groundwater flow velocity,x andy components of dispersivity, diffusion coefficient, distribution coefficient, porosity and bulk density. The objective is to examine the relative importance of each uncertain variable, the marginal distribution assigned to each variable, and possible correlation between the variables. Results utilizing a two-dimensional analytical solution indicate that the probabilistic outcome is generally very sensitive to likely changes in the uncertain flow velocity. Uncertainty associated with dispersivity and diffusion coefficient is often not a significant issue with respect to the probabilistic analysis; therefore, dispersivity and diffusion coefficient can often be treated for practical analysis as deterministic constants. The probabilistic outcome is sensitive to the uncertainty of the reaction terms for early times in the flow event. At later times, when source contaminants are released at constant rate throughout the study period, the probabilistic outcome may not be sensitive to changes in the reaction terms. These results, although limited at present by assumptions and conceptual restrictions inherent to the closed-form analytical solution, provide insight into the critical issues to consider in a probabilistic analysis of contaminant transport. Such information concerning the most important uncertain parameters can be used to guide field and laboratory investigations.     

On a monotonicity preserving Eulerian–Lagrangian localized adjoint method for advection–diffusion equations

Eulerian–Lagrangian localized adjoint methods (ELLAMs) provide a general approach to the solution of advection-dominated advection–diffusion equations allowing large time steps while maintaining good accuracy. Moreover, the methods can treat systematically any type of boundary condition and are mass conservative. However, all ELLAMs developed so far suffer from non-physical oscillations and are usually implemented on structured grids. In this paper, we propose a finite volume ELLAM which incorporates a novel correction step rendering the method monotone while maintaining conservation of mass. The method has been implemented on fully unstructured meshes in two space dimensions. Numerical results demonstrate the applicability of the method for problems with highly non-uniform flow fields arising from heterogeneous porous media.     

STREAM-SUBSURFACE EXCHANGE, SUSPENDED SEDIMENT TRANSPORT, AND THE COUPLED TRANSPORT OF COLLOIDS AND CONTAMINANTS IN SEDIMENT BEDS

1 INTRODUCTION Alluvial streams generally have permeable bed sediments that can admit significant pore water flows. Steady flow of surface water over bed roughness features such as sand waves or pools and riffles can then drive water flow into and out of the shallow subsurface. This is often termed hyporheic exchange, and the subsurface region where mixing between stream and ground waters occurs is the hyporheic zone (Hynes, 1983). The hyporheic zone has been shown to be a critical com…     

An ELLAM approximation for advective–dispersive transport with nonlinear sorption

We consider an Eulerian–Lagrangian localized adjoint method (ELLAM) applied to nonlinear model equations governing solute transport and sorption in porous media. Solute transport in the aqueous phase is modeled by standard advection and hydrodynamic dispersion processes, while sorption is modeled with a nonlinear local-equilibrium model. We present our implementation of finite volume ELLAM (FV-ELLAM) and finite element (FE-ELLAM) discretizations to the reactive transport model and evaluate their performance for several test problems containing self-sharpening fronts.     

Heavy metal content in relation to particle size and organic content of surficial sediments in Miami River and transport potential

Transport of contaminants in Miami River (Florida, USA) sediments with river currents is a concern due to their potential impact in areas that are away from the potential sources. Accumulation profiles of five metals (As, Cd, Hg, Zn, Pb) in the surficial sediments of the Miami River were evaluated in relation to grain size (from less than 0.075 mm to 6.3 mm) and organic content. Surficial sediment samples were collected along the river basin as well as in bay waters. Fine sediments ( o 0.106 mm) contained more than 10 times the levels of Cd and Hg and more than 6 times the levels of arsenic in comparison to the sediments that are larger than 0.850 mm. Zn and Pb levels were more than 10 times in the fine sediments ( o 0.106 mm) in comparison to those that were larger than 4.750 mm. Cd, Hg, and Zn levels had sig-nificant correlation with the total organic carbon content of the sediments. This indicates that Cd, Hg, and Zn in fine sediments have the potential to be metabolized in addition to potential to be mobilized with river currents. Analysis of the Gibbs settling velocities of particles showed that particles smaller than 0.5 mm can be transported with the river currents. The levels of heavy metal in fine sediments ( o 0.425 mm) along the river bed showed that fine particles had tendency to be mobilized and accu-mulate at locations where the rivers currents are low and carried out to the bay.     

Numerical simulations of non-ergodic solute transport in three-dimensional heterogeneous porous media

Numerical simulations of non-ergodic transport of a non-reactive solute plume by steady-state groundwater flow under a uniform mean velocity, , were conducted in a three-dimensional heterogeneous and statistically isotropic aquifer. The hydraulic conductivity, K(x), is modeled as a random field which is assumed to be log-normally distributed with an exponential covariance. Significant efforts are made to reduce the simulation uncertainties. Ensemble averages of the second spatial moments of the plume and the plume centroid variances were simulated with 1600 Monte Carlo (MC) runs for three variances of log K, _Y²=0.09, 0.23, and 0.46, and a square source normal to of three dimensionless lengths. It is showed that 1600 MC runs are needed to obtain stabilized results in mildly heterogeneous aquifers of _Y²0.5 and that large uncertainty may exist in the simulated results if less MC runs are used, especially for the transverse second spatial moments and the plume centroid variance in transverse directions. The simulated longitudinal second spatial moment and the plume centroid variance in longitudinal direction fit well to the first-order theoretical results while the simulated transverse moments are generally larger than the first-order values. The ergodic condition for the second spatial moments is far from reaching in all cases simulated and transport in transverse directions may reach ergodic condition much slower than that in longitudinal direction.     

Analytical solutions for sequentially coupled one-dimensional reactive transport problems – Part I: Mathematical derivations

Multi-species reactive transport equations coupled through sorption and sequential first-order reactions are commonly used to model sites contaminated with radioactive wastes, chlorinated solvents and nitrogenous species. Although researchers have been attempting to solve various forms of these reactive transport equations for over 50 years, a general closed-form analytical solution to this problem is not available in the published literature. In Part I of this two-part article, we derive a closed-form analytical solution to this problem for spatially-varying initial conditions. The proposed solution procedure employs a combination of Laplace and linear transform methods to uncouple and solve the system of partial differential equations. Two distinct solutions are derived for Dirichlet and Cauchy boundary conditions each with Bateman-type source terms. We organize and present the final solutions in a common format that represents the solutions to both boundary conditions. In addition, we provide the mathematical concepts for deriving the solution within a generic framework that can be used for solving similar transport problems.     

A master equation for reactive solute transport in porous media

The mean value of a density of a cloud of points described by a generalized Liouville equation associated with a convection dispersion equation governing adsorbing solute transport yields a joint concentration probability density. The general technique can be applied for either linear or nonlinear adsorption; here the application is restricted to linear adsorption in one-dimensional transport. The equation generated for the joint concentration probability density is in the general form of a Fokker-Planck equation, but with a suitable coordinate transformation, it is possible to represent it as a diffusion equation with variable coefficients.     

Block-effective macrodispersion for numerical simulations of sorbing solute transport in heterogeneous porous formations

Heterogeneity is prevalent in aquifers and has an enormous impact on contaminant transport in groundwater. Numerical simulations are an effective way to deal with heterogeneity directly by assigning different hydraulic property values to each numerical grid block. Because hydraulic properties vary on different scales, but they cannot be sampled exhaustively and the number of numerical grid blocks is limited by computational considerations, the dispersive effects of unmodeled heterogeneity need to be accounted for. Dispersion tensors can be used to model the dispersion caused by unmodeled heterogeneity. The concept of block-effective macrodispersion tensors for modeling the effects of small-scale variability on solute transport introduced by Rubin et al. [Rubin Y, Sun A, Maxwell R, Bellin A. The concept of block-effective macrodispersivity and a unified approach for grid-scale- and plume-scale-dependent transport. J Fluid Mech 1999;395:161–80] is extended in this paper for use with reactive solutes. The tensors are derived for reactive solutes with spatially variable retardation factors and for solutes experiencing spatially uniform rate-limited sorption. The longitudinal block-effective macrodispersion coefficient is largest for perfect negative correlation between the log-hydraulic conductivity and the retardation factor. Because dispersion tensors, as they are usually implemented in numerical simulations, produce symmetric spreading, the applicability of the concept depends on the portion of the plume asymmetry caused by small-scale variability. The presented results show that the concept is applicable for rate-limited sorption for block sizes of one and two integral scales.     

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.