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.     

Effect of permeability variations on solute transport in highly heterogeneous porous media

The effect of aquifer heterogeneity on flow and solute transport in two-dimensional isotropic porous media was analyzed using the Monte Carlo method. The two-dimensional logarithmic permeability (ln K) was assumed to be a non-stationary random field with its increments being a truncated fractional Lévy motion (fLm). The permeability fields were generated using the modified successive random additions (SRA) algorithm code SRA3DC [http://www.iamg.org/CGEditor/index.htm]. The velocity and concentration fields were computed respectively for two-dimensional flow and transport with a pulse input using the finite difference codes of MODFLOW 2000 and MT3DMS. Two fLm control parameters, namely the width parameter (C) and the Lévy index (α), were varied systematically to examine their effect on the resulting permeability, flow velocity and concentration fields. We also computed the first- and second-spatial moments, the dilution index, as well as the breakthrough curves at different control planes with the corresponding concentration fields. In addition, the derived breakthrough curves were fitted using the continuous time random walk (CTRW) and the traditional advection-dispersion equation (ADE). Results indicated that larger C and smaller α both led to more heterogeneous permeability and velocity fields. The Lévy-stable distribution of increments in ln K resulted in a Lévy-stable distribution of increments in logarithm of the velocity (ln v). Both larger C and smaller α created sharper leading edges and wider tailing edges of solute plumes. Furthermore, a relatively larger amount of solute still remained in the domain after a relatively longer time transport for smaller α values. The dilution indices were smaller than unity and increased as C increased and α decreased. The solute plume and its second-spatial moments increased as C increased and α decreased, while the first-spatial moments of the solute plume were independent of C and α values. The longitudinal macrodispersivity was scale-dependent and increased as a power law function of time. Increasing C and decreasing α both resulted in an increase in longitudinal macrodispersivity. The transport in such highly heterogeneous media was slightly non-Gaussian with its derived breakthrough curves being slightly better fitted by the CTRW than the ADE, especially in the early arrivals and late-time tails.     

Solute transport in sand and chalk: a probabilistic approach

A probabilistic approach is used to simulate particle tracking for two types of porous medium. The first is sand grains with a single intergranular porosity. Particle tracking is carried out by advection and dispersion. The second is chalk granulates with intergranular and matrix porosities. Sorption can occur with advection and dispersion during particle tracking. Particle tracking is modelled as the sum of elementary steps with independent random variables in the sand medium. An exponential distribution is obtained for each elementary step and shows that the whole process is Markovian. A Gamma distribution or probability density function is then deduced. The relationships between dispersivity and the elementary step are given using the central limit theorem. Particle tracking in the chalky medium is a non‐Markovian process. The probability density function depends on a power of the distance. Experimental simulations by dye tracer tests on a column have been performed for different distances and discharges. The probabilistic approach computations are in good agreement with the experimental data. The probabilistic computation seems an interesting and complementary approach to simulate transfer phenomena in porous media with respect to the traditional numerical methods. Copyright © 2006 John Wiley & Sons, Ltd.     

Comparison of theory and experiment for solute transport in weakly heterogeneous bimodal porous media

In this work, the influence of non-equilibrium effects on solute transport in a weakly heterogeneous medium is discussed. Three macro-scale models (upscaled via the volume averaging technique) are investigated: (i) the two-equation non-equilibrium model, (ii) the one-equation asymptotic model and (iii) the one-equation local equilibrium model. The relevance of each of these models to the experimental system conditions (duration of the pulse injection, dispersivity values…) is analyzed. The numerical results predicted by these macroscale models are compared directly with the experimental data (breakthrough curves). Our results suggest that the preasymptotic zone (for which a non-Fickian model is required) increases as the solute input pulse time decreases. Beyond this limit, the asymptotic regime is recovered. A comparison with the results issued from the stochastic theory for this regime is performed. Results predicted by both approaches (volume averaging method and stochastic analysis) are found to be consistent.     

Eulerian spatial moments for solute transport in three-dimensional heterogeneous,dual-permeability media

A Eulerian analytical method is developed for nonreactive solute transport in heterogeneous, dual-permeability media where the hydraulic conductivities in fracture and matrix domains are both assumed to be stochastic processes. The analytical solution for the mean concentration is given explicitly in Fourier and Laplace transforms. Instead of using the fast fourier transform method to numerically invert the solution to real space (Hu et al., 2002), we apply the general relationship between spatial moments and concentration (Naff, 1990; Hu et al., 1997) to obtain the analytical solutions for the spatial moments up to the second for a pulse input of the solute. Owing to its accuracy and efficiency, the analytical method can be used to check the semi-analytical and Monte Carlo numerical methods before they are applied to more complicated studies. The analytical method can be also used during screening studies to identify the most significant transport parameters for further analysis. In this study, the analytical results have been compared with those obtained from the semi-analytical method (Hu et al., 2002) and the comparison shows that the semi-analytical method is robust. It is clearly shown from the analytical solution that the three factors, local dispersion, conductivity variation in each domain and velocity convection flow difference in the two domains, play different roles on the solute plume spreading in longitudinal and transverse directions. The calculation results also indicate that when the log-conductivity variance in matrix is 10 times less than its counterpart in fractures, it will hardly influence the solute transport, whether the conductivity field is matrix is treated as a homogeneous or random field.     

A multidimensional streamline-based method to simulate reactive solute transport in heterogeneous porous media

We present a new streamline-based numerical method for simulating reactive solute transport in porous media. The key innovation of the method is that both longitudinal and transverse dispersion are incorporated accurately without numerical dispersion. Dispersion is approximated in a flow-oriented grid using a combination of a one-dimensional finite difference scheme and a meshless approximation. In contrast to previous hybrid alternatives to incorporate dispersion in streamline-based simulations, the proposed scheme does not require a grid and, hence, it does not introduce numerical dispersion. In addition, the proposed scheme eliminates numerical oscillations and negative concentration values even when the dispersion tensor includes the off-diagonal coefficients and the flow field is non-uniform. We demonstrate that for a set of two- and three-dimensional benchmark problems, the new proposed streamline-based formulation compares favorably to two state of the art finite volume and hybrid Eulerian–Lagrangian solvers.     

Modeling of transport in groundwater for environmental risk assessment

This paper presents the principles underlying a recently developed numerical technique for modeling transport in heterogeneous porous media. The method is then applied to derive the concentration mean and variance, the concentration CDF, exceedance probabilities and exposure time CDF, which are required by various regulatory agencies for risk and performance assessment calculations. The dependence of the various statistics on elapsed travel time, location in space, the dimension of the detection volume, natural variability and pore-scale dispersion is investigated and discussed.     

Solute transport scales in an unsaturated stony soil

Solute transport parameters are known to be scale-dependent due mainly to the increasing scale of heterogeneities with transport distance and with the lateral extent of the transport field examined. Based on a transect solute transport experiment, in this paper we studied this scale dependence by distinguishing three different scales with different homogeneity degrees of the porous medium: the observation scale, transport scale and transect scale. The main objective was to extend the approach proposed by van Wesenbeeck and Kachanoski to evaluating the role of textural heterogeneities on the transition from the observation scale to the transport scale. The approach is based on the scale dependence of transport moments estimated from solute concentrations distributions. In our study, these moments were calculated starting from time normalized resident concentrations measured by time domain reflectometry (TDR) probes at three depths in 37 soil sites 1 m apart along a transect during a steady state transport experiment. The Generalized Transfer Function (GTF) was used to describe the evolution of apparent solute spreading along the soil profile at each observation site by analyzing the propagation of the moments of the concentration distributions. Spectral analysis was used to quantify the relationship between the solid phase heterogeneities (namely, texture and stones) and the scale dependence of the solute transport parameters. Coupling the two approaches allowed us to identify two different transport scales (around 4-5 m and 20 m, respectively) mainly induced by the spatial pattern of soil textural properties. The analysis showed that the larger transport scale is mainly determined by the skeleton pattern of variability. Our analysis showed that the organization in hierarchical levels of soil variability may have major effects on the differences between solute transport behavior at transport scale and transect scale, as the transect scale parameters will include information from different scales of heterogeneities.     

The stability of density-driven flows in saturated heterogeneous porous media

This work concludes the investigations into the stability of haline flows in saturated porous media. In the first part [33] a stability criterion for density-driven flow in a saturated homogeneous medium was derived excluding dispersion. In the second part [34], the effects of dispersion were included. The latter criterion made reasonable predictions of the stability regimes (indicated by the number of fingers present) as a function of density and dispersivity variations. We found out that destabilising variables caused an increase in the number of fingers and vice versa. The investigation is extended here for the effects of the medium heterogeneity. The cell problem derived via homogenization theory [20] is solved and its solution used to evaluate the elements of the macrodispersion tensor as functions of time for flow aligned parallel to gravity. The longitudinal coefficient exhibits asymptotic behaviour for favourable and moderately unfavourable density contrasts while it grows indefinitely for higher density contrasts. The range of densities stabilised by medium heterogeneities can thus be estimated from the behaviour of the coefficient. The d³f software program is used for the numerical simulations. The code uses the cell-centred finite volume and the implicit Euler techniques for the spatial and temporal discretisations respectively.     

VTI介质中P-SV波转换点与各向异性参数关系

对于转换波地震勘探中的转换点位置这个重要问题,提出转换点位置不仅与纵横波速度比,偏移距深度比以及源检距有关,还与地下介质的各向异性的性质有关,计算了忽略地下介质的各向异性影响对转换点的确定带来的严重误差,从而影响地下地质体的精确成像.通过对层状VTI介质中的转换点近似方程的推导过程,引入该方程不同于传统方程的导出是对层状各向同性介质而言,该方程通过引入各向异性参数,使我们对转换波可以有进一步的认识,拓展了转换波处理中各向异性的应用.该方程对于偏移距深度比小于3.0的情况是比较准确的,这对于大偏移距转换波勘探具有实际意义.     

Spatial weighting functions: transient hydraulic tests and heterogeneous media

To improve understanding of property measurements in heterogeneous media, an energy-based weighting function concept is developed. In (assumed) homogeneous media, the instrument spatial weighting function (ISWF) depends only on the energy dissipation distribution set up by the measurement procedure and it reduces to simply inverse sample volume (uniform weighting) for 1-D parallel flow case (ideal permeameter). For 1-D transient flow in homogeneous media, such as with slug tests, the ISWF varies with position and time, with 95% of the total weighting contained within 115 well radii, even late in the test. In the heterogeneous case, the determination of the ISWF is connected to the problem of determining an equivalent hydraulic conductivity (K), where the criterion for equivalence is based on equal energy dissipation rate rather than equal volume discharge. The discharge-based equivalent K (K(E)) and the energy-based equivalent K in heterogeneous media (K(eh)) are not equal in general, with K(eh) typically above the nodal arithmetic mean K. The possibly more fundamental problem is that as one makes K measurements in heterogeneous media at different locations or on different cores of heterogeneous materials, the ISWF will be heterogeneity dependent, implying that the averaging process resulting in the equivalent K value also varies with position. If the testing procedure is transient, then the averaging process varies with time. This suggests a fundamental ambiguity in the interpretation of hydraulic conductivity measurements in heterogeneous media that may impact how we approach modeling and prediction in a practical sense (Molz 2003). Further research is suggested.     

Solute dilution under imbibition and drainage conditions in a heterogeneous structure: Modeling of a sand tank experiment

This study aims at modeling the transport of a conservative tracer in two dimensions, as experimentally observed in a strongly heterogeneous medium under conditions of variable water saturation during drainage and imbibition. Solute transport experiments were conducted in a sand tank containing an artificial packing of three quartz sands of different particle sizes. The packing was characterized by the presence of numerous homogeneous layers (0.5 × 5 × 5 cm) inclined at 45° and randomly distributed in a tank. Six different stationary flow conditions were sequentially established during imbibition and drainage. When a stationary flow regime was reached, several solute pulses were applied at different positions at the upper surface of the sand structure. The transport regime was studied by monitoring the tracer plumes injected as point-like pulses at the surface, as they travelled through the sand bedding.     

Interface dynamics in randomly heterogeneous porous media

We consider the dynamics of a fluid interface in heterogeneous porous media, whose hydraulic properties are uncertain. Modeling hydraulic conductivity as a random field of given statistics allows us to predict the interface dynamics and to estimate the corresponding predictive uncertainty by means of statistical moments. The novelty of our approach to obtaining the interface statistics consists of dynamically mapping the Cartesian coordinate system onto a coordinate system associated with the moving front. This transforms a difficult problem of deriving closure relationships for highly nonlinear stochastic flows with free surfaces into a relatively simple problem of deriving stochastic closures for linear flows in domains with fixed boundaries. We derive a set of deterministic equations for the statistical moments of the interfacial dynamics, which hold in one and two spatial dimensions, and analyze their solutions for one-dimensional flow.     

Modeling the effects of nonlinear equilibrium sorption on the transport of solute plumes in saturated heterogeneous porous media

Transport of sorbing solutes in 2D steady and heterogeneous flow fields is modeled using a particle tracking random walk technique. The solute is injected as an instantaneous pulse over a finite area. Cases of linear and Freundlich sorption isotherms are considered. Local pore velocity and mechanical dispersion are used to describe the solute transport mechanisms at the local scale. This paper addresses the impact of the degree of heterogeneity and correlation lengths of the log-hydraulic conductivity field as well as negative correlation between the log-hydraulic conductivity field and the log-sorption affinity field on the behavior of the plume of a sorbing chemical. Behavior of the plume is quantified in terms of longitudinal spatial moments: center-of-mass displacement, variance, 95% range, and skewness. The range appears to be a better measure of the spread in the plumes with Freundlich sorption because of plume asymmetry. It has been found that the range varied linearly with the travelled distance, regardless of the sorption isotherm. This linear relationship is important for extrapolation of results to predict behavior beyond simulated times and distances. It was observed that the flow domain heterogeneity slightly enhanced the spreading of nonlinearly sorbing solutes in comparison to that which occurred for the homogeneous flow domain, whereas the spreading enhancement in the case of linear sorption was much more pronounced. In the case of Freundlich sorption, this enhancement led to further deceleration of the solute plume movement as a result of increased retardation coefficients produced by smaller concentrations. It was also observed that, except for plumes with linear sorption, correlation between the hydraulic conductivity and the sorption affinity fields had minimal effect on the spatial moments of solute plumes with nonlinear sorption.