Impact of fractional probability distributions on statistics of hydraulic conductivity,dynamics of groundwater flow and solute transport at a low-permeability site

The fractional Brownian motion (fBm) and fractional Lévy motion (fLm) can easily describe the geometry and the statistical structure of hydraulic conductivity (K) for real-world. However, the fBm and fLm models have not been systematically evaluated when building the K field for a low-permeability site. In this study, both the fBm and fLm are used to simulate the low-K field at NingCheGu (NCG), Tianjin, China. Groundwater flow and solute transport are then computed using MODFLOW and MT3DMS, respectively, and the influence of the fBm/fLm models for K on groundwater flow and solute transport is discussed. Results show that the fLm fits better the statistics of the low-K medium than fBm, and the random logarithmic K (LnK) field generated by fLm is more stable because the resultant LnK field captures more of the measured properties at the field site than that generated by fBm. In contrast, the LnK generated by fBm is more likely to form both high-K channels and low-K barriers. The fBm therefore predicts more extreme behaviours in flow and transport, including the preferential flow, low-concentration blocks and solute retention. The overall groundwater renewal period and solute travel time for the fLm simulation are slightly shorter than those for fBm. The impacts of the fLm and fBm models on the statistics of the resultant LnK fields and the dynamics of groundwater flow and solute transport revealed by this study shed light on the selection and evaluation of the fractional probability distribution models in capturing the K fields for low-K media.     

Multiscale flow and transport model in three-dimensional fractal porous media

This paper proposes a multiscale flow and transport model which can be used in three-dimensional fractal random fields. The fractal random field effectively describes a field with a high degree of variability to satisfy the one-point statistics of Levy-stable distribution and the two-point statistics of fractional Levy motion (fLm). To overcome the difficulty of using infinite variance of Levy-stable distribution and to provide the physical meaning of a finite domain in real space, truncated power variograms are utilized for the fLm fields. The fLm model is general in the sense that both stationary and commonly used fractional Brownian motion (fBm) models are its special cases. When the upper cutoff of the truncated power variogram is close to the lower cutoff, the stationary model is well approximated. The commonly used fBm model is recovered when the Levy index of fLm is 2. Flow and solute transport were analyzed using the first-order perturbation method. Mean velocity, velocity covariance, and effective hydraulic conductivity in a three-dimensional fractal random field were derived. Analytical results for particle displacement covariance and macrodispersion coefficients are also presented. The results show that the plume in an fLm field moves slower at early time and has more significant long-tailing behavior at late time than in fBm or stationary exponential fields. The proposed fractal transport model has broader applications than those of stationary and fBm models. Flow and solute transport can be simulated for various scenarios by adjusting the Levy index and cutoffs of fLm to yield more accurate modeling results.     

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.     

Continuous time random walks for non-local radial solute transport

This study formulates and analyzes continuous time random walk (CTRW) models in radial flow geometries for the quantification of non-local solute transport induced by heterogeneous flow distributions and by mobile–immobile mass transfer processes. To this end we derive a general CTRW framework in radial coordinates starting from the random walk equations for radial particle positions and times. The particle density, or solute concentration is governed by a non-local radial advection–dispersion equation (ADE). Unlike in CTRWs for uniform flow scenarios, particle transition times here depend on the radial particle position, which renders the CTRW non-stationary. As a consequence, the memory kernel characterizing the non-local ADE, is radially dependent. Based on this general formulation, we derive radial CTRW implementations that (i) emulate non-local radial transport due to heterogeneous advection, (ii) model multirate mass transfer (MRMT) between mobile and immobile continua, and (iii) quantify both heterogeneous advection in a mobile region and mass transfer between mobile and immobile regions. The expected solute breakthrough behavior is studied using numerical random walk particle tracking simulations. This behavior is analyzed by explicit analytical expressions for the asymptotic solute breakthrough curves. We observe clear power-law tails of the solute breakthrough for broad (power-law) distributions of particle transit times (heterogeneous advection) and particle trapping times (MRMT model). The combined model displays two distinct time regimes. An intermediate regime, in which the solute breakthrough is dominated by the particle transit times in the mobile zones, and a late time regime that is governed by the distribution of particle trapping times in immobile zones. These radial CTRW formulations allow for the identification of heterogeneous advection and mobile-immobile processes as drivers of anomalous transport, under conditions relevant for field tracer tests.     

Intercomparison of 3D pore-scale flow and solute transport simulation methods

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include 1) methods that explicitly model the three-dimensional geometry of pore spaces and 2) methods that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the first type based on the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This study provides support for confidence in a variety of pore-scale modeling methods and motivates further development and application of pore-scale simulation methods.     

Comparison of laboratory-scale solute transport visualization experiments with numerical simulation using cross-bedded sandstone

Using a slab of Massillon Sandstone, laboratory-scale solute tracer experiments were carried out to test numerical simulations using the Advection–Dispersion Equation (ADE). While studies of a similar nature exist, our work differs in that we combine: (1) experimentation in naturally complex geologic media, (2) X-ray absorption imaging to visualize and quantify two-dimensional solute transport, (3) high resolution transport property characterization, with (4) numerical simulation. The simulations use permeability, porosity, and solute concentration measured to sub-centimeter resolution. While bulk breakthrough curve characteristics were adequately matched, large discrepancies exist between the experimental and simulated solute concentration fields. Investigation of potential experimental errors suggests that the failure to fit solute concentration fields may lie in loss of intricate connectivity within the cross-bedded sandstone occurring at scales finer than our property characterization measurements (i.e., sub-centimeter).     

Modeling preasymptotic transport in flows with significant inertial and trapping effects – The importance of velocity correlations and a spatial Markov model

We study solute transport in a periodic channel with a sinusoidal wavy boundary when inertial flow effects are sufficiently large to be important, but do not give rise to turbulence. This configuration and setup are known to result in large recirculation zones that can act as traps for solutes; these traps can significantly affect dispersion of the solute as it moves through the domain. Previous studies have considered the effect of inertia on asymptotic dispersion in such geometries. Here we develop an effective spatial Markov model that aims to describe transport all the way from preasymptotic to asymptotic times. In particular we demonstrate that correlation effects must be included in such an effective model when Péclet numbers are larger than O(100) in order to reliably predict observed breakthrough curves and the temporal evolution of second centered moments. For smaller Péclet numbers correlation effects, while present, are weak and do not appear to play a significant role. For many systems of practical interest, if Reynolds numbers are large, it may be typical that Péclet numbers are large also given that Schmidt numbers for typical fluids and solutes can vary between 1 and 500. This suggests that when Reynolds numbers are large, any effective theories of transport should incorporate correlation as part of the upscaling procedure, which many conventional approaches currently do not do. We define a novel parameter to quantify the importance of this correlation. Next, using the theory of CTRWs we explain a to date unexplained phenomenon of why dispersion coefficients for a fixed Péclet number increase with increasing Reynolds number, but saturate above a certain value. Finally we also demonstrate that effective preasymptotic models that do not adequately account for velocity correlations will also not predict asymptotic dispersion coefficients correctly.     

Numerical method of moments for solute transport in a nonstationary flow field conditioned on hydraulic conductivity and head measurements

The unconditional stochastic studies on groundwater flow and solute transport in a nonstationary conductivity field show that the standard deviations of the hydraulic head and solute flux are very large in comparison with their mean values (Zhang et al. in Water Resour Res 36:2107–2120, 2000; Wu et al. in J Hydrol 275:208–228, 2003; Hu et al. in Adv Water Resour 26:513–531, 2003). In this study, we develop a numerical method of moments conditioning on measurements of hydraulic conductivity and head to reduce the variances of the head and the solute flux. A Lagrangian perturbation method is applied to develop the framework for solute transport in a nonstationary flow field. Since analytically derived moments equations are too complicated to solve analytically, a numerical finite difference method is implemented to obtain the solutions. Instead of using an unconditional conductivity field as an input to calculate groundwater velocity, we combine a geostatistical method and a method of moment for flow to conditionally simulate the distributions of head and velocity based on the measurements of hydraulic conductivity and head at some points. The developed theory is applied in several case studies to investigate the influences of the measurements of hydraulic conductivity and/or the hydraulic head on the variances of the predictive head and the solute flux in nonstationary flow fields. The study results show that the conditional calculation will significantly reduce the head variance. Since the hydraulic head measurement points are treated as the interior boundary (Dirichlet boundary) conditions, conditioning on both the hydraulic conductivity and the head measurements is much better than conditioning only on conductivity measurements for reduction of head variance. However, for solute flux, variance reduction by the conditional study is not so significant.     

Influence of small-scale heterogeneities on contaminant transport in fractured crystalline rock

We present a sequence of purely advective transport models that demonstrate the influence of small-scale geometric inhomogeneities on contaminant transport in fractured crystalline rock. Special weight is placed on the role of statistically generated variable fracture apertures. The fracture network geometry and the aperture distribution are based on information from an in situ radionuclide retardation experiment performed at Grimsel test site (Swiss Alps). The obtained breakthrough curves are fitted with the advection dispersion equation and continuous-time random walks (CTRW). CTRW is found to provide superior fits to the late-arrival tailing and is also found to show a good correlation with the velocity distributions obtained from the hydraulic models. The impact of small-scale heterogeneities, both in fracture geometry and aperture, on transport is shown to be considerable.     

Contaminant transport in a small deformation aquitard affected by the delayed drainage phenomenon

This paper presents a formulation accounting for the effect of delayed drainage phenomenon (DDP) on the breakthrough of contaminant flux in an aquitard, by considering the movement of soil particles, porosity variation, hydraulic head variation, and transient flow during the consolidation. The water flow equation in an aquitard was based on the Terzaghi's consolidation theory, and the contaminant transport equation was derived on the basis of the mass balance law. Two cases were used to illustrate the effect of DDP on the contaminant transport in an aquitard of small deformation. It is found that the breakthrough time of contaminant in an aquitard is very long, which is mainly ascribed to the low permeability of aquitard and sorption of soil particles. It is also found that the increase of depletion, which is in general induced by the increase of thickness and specific storativity and the decrease of hydraulic conductivity, enhances the impact of DDP on the contaminant transport in an aquitard. A larger delay index (τ₀) of DDP gives a greater delay breakthrough time (DBT) of solute transport in an aquitard, which controls the difference of the breakthrough time of contaminant transport in aquitards with and without the occurrence of DDP. For the cases where advection plays a dominant role during the process of solute transport, τ₀ is almost linearly correlated with DBT, and the ratio of DBT over the breakthrough time without consideration of DDP also approximately shows a linear relationship with the ratio of specific storativity to porosity, given a fixed drawdown in the adjacent aquifer with the sorption being ignored.     

Hydraulic diffusivity and macrodispersivity calculations embedded in a geographic information system

Abstract

A numerical technique is presented whereby aquifer hydraulic diffusivities (D) and macrodispersivities (α) are calculated by linear equations rewritten from flow and solute transport differential equations. The approach requires a GIS to calculate spatial and temporal hydraulic head (h) and solute concentration gradients. The model is tested in Portugal, in a semi-confined aquifer periodically monitored for h and chloride/sulphate concentrations. Average D (0.46 m²/s) and α (1975 m) compare favourably with literature results. The relationship between α and scale (L) is also investigated. In this context, two aquifer groups could be identified: the first group is heterogeneous at the “macroscopic” scale (solute travelled distances <1 km), but homogeneous at the “megascopic” scale. The overall scale dependency in this case is given by an equation of logarithmic type. The second group is heterogeneous at the macroscopic and megascopic scales, with a scale dependency of linear type.

Citation Pacheco, F.A.L., 2013. Hydraulic diffusivity and macrodispersivity calculations embedded in a geographic information system. Hydrological Sciences Journal, 58 (4), 930–944.     

Interpretation and nonuniqueness of CTRW transition distributions: Insights from an alternative solute transport formulation

The continuous time random walk (CTRW) has both an elegant mathematical theory and a successful record at modeling solute transport in the subsurface. However, there are some interpretation ambiguities relating to the relationship between the discrete CTRW transition distributions and the underlying continuous movement of solute that have not been addressed in existing literature. These include the exact definition of “transition”, and the extent to which transition probability distributions are unique/quantifiable from data. Here, we present some theoretical results which address these uncertainties in systems with an advective bias. Simultaneously, we present an alternative, reduced parameter CTRW formulation for general advective transport in heterogeneous porous media, which models early- and late-time transport by use of random transition times between sparse, imaginary planes normal to flow. We show that even in the context of this reduced-parameter formulation there is nonuniqueness in the definitions of both transition lengths and waiting time distributions, and that neither may be uniquely determined from experimental data. For practical use of this formulation, we suggest Pareto transition time distributions, leading to a two-degree-of-freedom modeling approach. We then demonstrate the power of this approach in fitting two sets of existing experimental data. While the primary focus is the presentation of new results, the discussion is designed to be pedagogical and to provide a good entry point into practical modeling of solute transport with the CTRW.     

Transport of nonsorbing solutes in a streambed with periodic bedforms

Previous studies of hyporheic zone focused largely on the net mass transfer of solutes between stream and streambed. Solute transport within the bed has attracted less attention. In this study, we combined flume experiments and numerical simulations to examine solute transport processes in a streambed with periodic bedforms. Solute originating from the stream was subjected to advective transport driven by pore water circulation due to current–bedform interactions as well as hydrodynamic dispersion in the porous bed. The experimental and numerical results showed that advection played a dominant role at the early stage of solute transport, which took place in the hyporheic zone. Downward solute transfer to the deep ambient flow zone was controlled by transverse dispersion at the later stage when the elapsed time exceeded the advective transport characteristic time t_c (= L/u_c with L being the bedform length and u_c the characteristic pore water velocity). The advection-based pumping exchange model was found to predict reasonably well solute transfer between the overlying water and streambed at the early stage but its performance deteriorated at the later stage. With dispersion neglected, the pumping exchange model underestimated the long-term rate and total mass of solute transfer from the overlying water to the bed. Therefore both advective and dispersive transport components are essential for quantification of hyporheic exchange processes.     

Computational issues in the determination of solute discharge moments and implications for comparison to analytical solutions

Solute discharge moments (mean and variance) are computed using numerical modeling of flow and advective transport in two-dimensional heterogeneous aquifers and are compared to theoretical results. The solute discharge quantifies the temporal evolution of the total contaminant mass crossing a certain compliance boundary. In addition to analyzing the solute discharge moments within a classical absolute dispersion framework, we also analyze relative dispersion formulation, whereby plume meandering (deviation from mean flow path caused by velocity variations at scales larger than plume size) is removed. This study addresses some important issues related to the computation of solute discharge moments from random walk particle tracking experiments, and highlights some of the important differences between absolute and relative dispersion frameworks. Relative dispersion formulation produces maximum uncertainty that coincides with the peak mean discharge. Absolute dispersion, however, results in earlier arrival of the uncertainty peak as compared to the first moment peak. Simulations show that the standard deviation of solute discharge in a relative dispersion framework requires increasingly large temporal sampling windows to smooth out some of the large fluctuations in breakthrough curves associated with advective transport. Using smoothing techniques in particle tracking to distribute the particle mass over a volume rather than at a point significantly reduces the noise in the numerical simulations and removes the need to use large temporal windows. Same effect can be obtained by adding a local dispersion process to the particle tracking experiments used to model advective transport. The effect of the temporal sampling window bears some relevance and important consequences for evaluating risk-related parameters. The expected value of peak solute discharge and its standard deviation are very sensitive to this sampling window and so will be the risk distribution relying on such numerical models.     

Temporal variability of solute transport under vadose zone conditions

The heterogeneity of the solute flux field in the horizontal plane at the field scale has been documented in several field studies. On the other hand, little information is available on the persistence of certain solute transport scenarios over consecutive infiltration cycles. This study was initiated to analyse the recurrence of solute leaching behaviour as estimated in two soil column tests emphasizing the preferential flow phenomenon. Twenty-four small-sized soil samples were subjected to two consecutive unsaturated steady-state flow leaching experiments with bromide as tracer. Observed breakthrough curves (BTCs) were analysed by the method of moments and by the advection–dispersion equation (ADE) to classify solute behaviour. Frequency distributions of the parameters indicating the solute velocity were heavily skewed or bimodal, reflecting the broad variability of the leaching scenarios, including some with pronounced preferential solute breakthrough. Exclusion of the preferential flow columns from our calculations revealed an average amount of 37% of immobile water. The large-scale BTCs derived from assembling the individual concentration courses of each run showed similar features, such as an early bromide breakthrough. However, two distinct apices, viz. one preferential and one matrix, were observed only in the first run, whereas the concentration decrease between the peaks was missing from the second run. A change in soil structure with continuous leaching was presumed to modify the interplay of the various flow domains, thereby altering the spreading of the BTCs. Correlation analysis between parameters of both tests suggests that preferential transport conditions are likely to occur at the same locations in the field over several infiltration cycles, whereas the ‘classical’ or expected matrix flow is time variant and therefore seems to be hardly predictable. © 1998 John Wiley & Sons, Ltd.     

Transport in chemically and mechanically heterogeneous porous media IV: large-scale mass equilibrium for solute transport with adsorption

In this article we consider the transport of an adsorbing solute in a two-region model of a chemically and mechanically heterogeneous porous medium when the condition of large-scale mechanical equilibrium is valid. Under these circumstances, a one-equation model can be used to predict the large-scale averaged velocity, but a two-equation model may be required to predict the regional velocities that are needed to accurately describe the solute transport process. If the condition of large-scale mass equilibrium is valid, the solute transport process can be represented in terms of a one-equation model and the analysis is simplified greatly. The constraints associated with the condition of large-scale mass equilibrium are developed, and when these constraints are satisfied the mass transport process can be described in terms of the large-scale average velocity, an average adsorption isotherm, and a single large-scale dispersion tensor. When the condition of large-scale mass equilibrium is not valid, two equations are required to describe the mass transfer process, and these two equations contain two adsorption isotherms, two dispersion tensors, and an exchange coefficient. The extension of the analysis to multi-region models is straight forward but tedious.     

Travel time and trajectory moments of conservative solutes in three dimensional heterogeneous porous media under mean uniform flow

We present expressions satisfied by the first statistical moments (mean and variance–covariance) of travel time and trajectory of conservative solute particles advected in a three-dimensional heterogeneous aquifer under uniform in the mean flow conditions. Closure of the model is obtained by means of a consistent second-order expansion in σ_Y (standard deviation of the log hydraulic conductivity) of (statistical) moments of quantities of interest. As such, the results obtained are nominally limited to mildly non-uniform fields, with σ_Y < 1. Resulting mean and variance of particles travel time and trajectory are functions of first and second moments and cross-moments of trajectory and velocity components. Our solution is applicable to infinite domains and is free of distributional assumptions. As an important application of the methodology we obtain closed-form expressions for the unconditional mean and variance of travel time and particle trajectory for isotropic log-conductivity domain characterized by an exponential variogram. This allows us to recover the non linear behavior of mean travel time versus distance, in agreement with numerical results published in the literature, as well as a non-linear effect in the mean trajectory. The analysis of trajectory variance allows recovering some known results regarding transverse macro-dispersion, evidencing some limitations typical of perturbation theory.