The effect of non divergence-free velocity fields on field scale ground water solute transport

Solute plume subjected to field scale hydraulic conductivity heterogeneity shows a large dispersion/macrodispersion, which is the manifestation of existing fields scale heterogeneity on the solute plume. On the other hand, due to the scarcity of hydraulic conductivity measurements at field scale, hydraulic conductivity heterogeneity can only be defined statistically, which makes the hydraulic conductivity a random variable/function. Random hydraulic conductivity as a parameter in flow equation makes the pore flow velocity also random and the ground water solute transport equation is a stochastic differential equation now. In this study, the ensemble average of stochastic ground water solute transport equation is taken by the cumulant expansion method in order to upscale the laboratory scale transport equation to field scale by assuming pore flow velocity is a non stationary, non divergence-free and unsteady random function of space and time. Besides the stochastic explanation of macrodispersion and the velocity correction term obtained by Kavvas and Karakas (J Hydrol 179:321–351, 1996) before a new velocity correction term, which is a function of mean pore flow velocity divergence, is obtained in this study due to strict second order cumulant expansion (without omitting any term after the expansion) performed. The significance of the new velocity correction term is investigated on a one dimensional transport problem driven by a density dependent flow field.     

On the cumulant expansion up scaling of ground water contaminant transport equation with nonequilibrium sorption

The laboratory-scale ground water transport equation with nonequilibrium sorption reaction subjected to unsteady, nondivergence-free, and nonstationary velocity fields is up-scaled to the field-scale by using the ensemble-averaged equations obtained from the cumulant expansion ensemble-averaging method. It is found that existing ensemble-averaged equations obtained with the help of the cumulant expansion method for the system of linear partial differential equations are not second-order exact. Although the cumulant expansion methodology is designed for noncommuting operators, it is found that there are still commudativity requirements that need to be satisfied by the functions and constants exist in the coefficient matrix of the system of ordinary/partial differential equations. A reversibility requirement, which covers the commudativity requirements, is also proposed when applying the cumulant expansion method to a system of partial differential equations/a partial differential equation. The significance of the new velocity correction obtained in this study due to the applied second-order exact cumulant expansion is investigated on a numerical example with a linear trend in the distribution coefficient. It is found that the effect of the new velocity correction can be significant enough to affect the maximum concentration values and the plume center of mass in the case of a trending distribution coefficient in a physically heterogeneous environment.     

Calculating the macrodispersion coefficient of the ensemble averaged solute transport equation in the discrete domain

Recognizing the spatial heterogeneity of hydraulic parameters, many researchers have studied the solute transport by both groundwater and channel flow in a stochastic framework. One of the methodologies used to up‐scale the stochastic solute transport equation, from a point‐location scale to a grid scale, is the cumulant expansion method combined with the calculus for the time‐ordered exponential and the calculus for the Lie operator. When the point‐location scale transport equation is scaled up to the grid scale, using the cumulant expansion method, a new dispersion coefficient emerges in the dispersive term of the solute transport equation in addition to the molecular dispersion coefficient. This velocity driven dispersion is called ‘macrodispersion’. The macrodispersion coefficient is the integral function of the time‐ordered covariance of the random velocity field. The integral is calculated over a Lagrangian trajectory of the flow. The Lagrangian trajectory depends on the following: (i) the spatial origin of the particle; (ii) the time when the macrodispersion is calculated; and (iii) the mean velocity field along the trajectory itself. The Lagrangian trajectory is a recursive function of time because the location of the particle along the trajectory at a particular time depends on the location of the particle at the previous time. This recursive functional form of the Lagrangian trajectory makes the calculation of the macrodispersion coefficient difficult. Especially for the unsteady, spatially non‐stationary, non‐uniform flow field, the macrodispersion coefficient is a highly complex expression and, so far, calculated using numerical methods in the discrete domains. Here, an analytical method was introduced to calculate the macrodispersion coefficient in the discrete domain for the unsteady and steady, spatially non‐stationary flow cases accurately and efficiently. This study can fill the gap between the theory of the ensemble averaged solute transport model and its numerical implementations. Copyright © 2011 John Wiley & Sons, Ltd.     

A connection between the Lagrangian stochastic–convective and cumulant expansion approaches for describing solute transport in heterogeneous porous media

The equation describing the ensemble-average solute concentration in a heterogeneous porous media can be developed from the Lagrangian (stochastic–convective) approach and from a method that uses a renormalized cumulant expansion. These two approaches are compared for the case of steady flow, and it is shown that they are related. The cumulant expansion approach can be interpreted as a series expansion of the convolution path integral that defines the ensemble-average concentration in the Lagrangian approach. The two methods can be used independently to develop the classical form for the convection–dispersion equation, and are shown to lead to identical transport equations under certain simplifying assumptions. In the development of such transport equations, the cumulant expansion does not require a priori the assumption of any particular distribution for the Lagrangian displacements or velocity field, and does not require one to approximate trajectories with their ensemble-average. In order to obtain a second-order equation, the cumulant expansion method does require truncation of a series, but this truncation is done rationally by the development of a constraint in terms of parameters of the transport field. This constraint is less demanding than requiring that the distribution for the Lagrangian displacements be strictly Gaussian, and it indicates under what velocity field conditions a second-order transport equation is a reasonable approximation.     

Exposure concentration statistics in the subsurface transport

The concentration fluctuations resulting from hazardous releases in the subsurface are modeled through the concentration moments. The local solute exposure concentration, resulting from the heterogeneous velocity field and pore scale dispersion in the subsurface, is a random function characterized by its statistical moments. The approximate solution to the exact equation that describes the evolution of concentration standard moments in the aquifer transport is proposed in a recursive form. The expressions for concentration second, third and fourth central moments are derived and evaluated for various flow and transport conditions. The solutions are sought by starting from the exact upper bound solution with the zero pore scale dispersion and introducing the physically based approximation that allows the inclusion of the pore scale dispersion resulting in simple closed-form expressions for the concentration statistical moments. The concentration moments are also analyzed in the relative and absolute frame of reference indicating their combined importance in the practical cases of the subsurface contaminant plume migration. The influence of pore scale dispersion with different source sizes and orientations are analyzed and discussed with respect to common cases in the environmental risk assessment problems. The results are also compared with the concentration measurements of the conservative tracer collected in the field experiments at Cape Cod and Borden Site.     

Uncertainty propagation of hydrodispersive transfer in an aquifer: an illustration of one-dimensional contaminant transport with slug injection

It is evident that the hydrodynamic dispersion coefficient and linear flow velocity dominate solute transport in aquifers. Both of them play important roles characterizing contaminant transport. However, by definition, the parameter of contaminant transport cannot be measured directly. For most problems of contaminant transport, a conceptual model for solute transport generally is established to fit the breakthrough curve obtained from field testing, and then suitable curve matching or the inverse solution of a theoretical model is used to determine the parameter. This study presents a one-dimensional solute transport problem for slug injection. Differential analysis is used to analyze uncertainty propagation, which is described by the variance and mean. The uncertainties of linear velocity and hydrodynamic dispersion coefficient are, respectively, characterized by the second-power and fourth-power of the length scale multiplied by a lumped relationship of variance and covariance of system parameters, i.e. the Peclet number and arrival time of maximum concentration. To validate the applicability for evaluating variance propagation in one-dimensional solute transport, two cases using field data are presented to demonstrate how parametric uncertainty can be caught depending on the manner of sampling.     

Magnetic resonance microscopy of biofouling induced scale dependent transport in porous media

Non-invasive magnetic resonance microscopy (MRM) methods are applied to study biofouling of a homogeneous model porous media. MRM of the biofilm biomass using magnetic relaxation weighting shows the heterogeneous nature of the spatial distribution of the biomass as a function of growth. Spatially resolved MRM velocity maps indicate a strong variation in the pore scale velocity as a function of biofilm growth. The hydrodynamic dispersion dynamics for flow through the porous media is quantitatively characterized using a pulsed gradient spin echo technique to measure the propagator of the motion. The propagator indicates a transition in transport dynamics from a Gaussian normal diffusion process following a normal advection diffusion equation to anomalous transport as a function of biofilm growth. Continuous time random walk models resulting in a time fractional advection diffusion equation are shown to model the transition from normal to anomalous transport in the context of a conceptual model for the biofouling. The initially homogeneous porous media is transformed into a more complex heterogeneous porous media by the biofilm growth.     

Pore-scale imaging and modelling

Pore-scale imaging and modelling – digital core analysis – is becoming a routine service in the oil and gas industry, and has potential applications in contaminant transport and carbon dioxide storage. This paper briefly describes the underlying technology, namely imaging of the pore space of rocks from the nanometre scale upwards, coupled with a suite of different numerical techniques for simulating single and multiphase flow and transport through these images. Three example applications are then described, illustrating the range of scientific problems that can be tackled: dispersion in different rock samples that predicts the anomalous transport behaviour characteristic of highly heterogeneous carbonates; imaging of super-critical carbon dioxide in sandstone to demonstrate the possibility of capillary trapping in geological carbon storage; and the computation of relative permeability for mixed-wet carbonates and implications for oilfield waterflood recovery. The paper concludes by discussing limitations and challenges, including finding representative samples, imaging and simulating flow and transport in pore spaces over many orders of magnitude in size, the determination of wettability, and upscaling to the field scale. We conclude that pore-scale modelling is likely to become more widely applied in the oil industry including assessment of unconventional oil and gas resources. It has the potential to transform our understanding of multiphase flow processes, facilitating more efficient oil and gas recovery, effective contaminant removal and safe carbon dioxide storage.     

On the using cumulant expansion method and van Kampen’s lemma for stochastic differential equations with forcing

Second-order exact ensemble averaged equation for linear stochastic differential equations with multiplicative randomness and random forcing is obtained by using the cumulant expansion ensemble averaging method and by taking the time dependent sure part of the multiplicative operator into account. It is shown that the satisfaction of the commutativity and the reversibility requirements proposed earlier for linear stochastic differential equations without forcing are necessary for the linear stochastic differential equations with forcing when the cumulant expansion ensemble averaging method is used. It is shown that the applicability of the operator equality, which is used for the separation of operators in the literature, is also subjected to the satisfaction of the commutativity and the reversibility requirements. The van Kampen’s lemma, which is proposed for the analysis of nonlinear stochastic differential equations, is modified in order to make the probability density function obtained through the lemma depend on the forcing terms too. The second-order exact ensemble averaged equation for linear stochastic differential equations with multiplicative randomness and random forcing is also obtained by using the modified van Kampen’s lemma in order to validate the correctness of the modified lemma. Second-order exact ensemble averaged equation for one dimensional convection diffusion equation with reaction and source is obtained by using the cumulant expansion ensemble averaging method. It is shown that the van Kampen’s lemma can yield the cumulant expansion ensemble averaging result for linear stochastic differential equations when the lemma is applied to the interaction representation of the governing differential equation. It is found that the ensemble averaged equations given for one the dimensional convection diffusion equation with reaction and source in the literature obtained by applying the lemma to the original differential equation are restricted with small sure part of multiplicative operator. Second-order exact differential equations for the evolution of the probability density function for the one dimensional convection diffusion equation with reaction and source and one dimensional nonlinear overland flow equation with source are obtained by using the modified van Kampen’s lemma. The equation for the evolution of the probability density function for one dimensional nonlinear overland flow equation with source given in the literature is found to be not second-order exact. It is found that the differential equations for the evolution of the probability density functions for various hydrological processes given in the literature are not second-order exact. The significance of the new terms found due to the second-order exact ensemble averaging performed on the one dimensional convection diffusion equation with reaction and source and during the application of the van Kampen’s lemma to the one dimensional nonlinear overland flow equation with source is investigated.     

Dissolution of nonaqueous phase liquid pools in anisotropic aquifers

A two-dimensional numerical transport model is developed to determine the effect of aquifer anisotropy and heterogeneity on mass transfer from a dense nonaqueous phase liquid (DNAPL) pool. The appropriate steady state groundwater flow equation is solved implicitly whereas the equation describing the transport of a sorbing contaminant in a confined aquifer is solved by the alternating direction implicit method. Statistical anisotropy in the aquifer is introduced by two-dimensional, random log-normal hydraulic conductivity field realizations with different directional correlation lengths. Model simulations indicate that DNAPL pool dissolution is enhanced by increasing the mean log-transformed hydraulic conductivity, groundwater flow velocity, and/or anisotropy ratio. The variance of the log-transformed hydraulic conductivity distribution is shown to be inversely proportional to the average mass transfer coefficient.     

Lessons Learned from 25 Years of Research at the MADE Site

Field studies at well‐instrumented research sites have provided extensive data sets and important insights essential for development and testing of transport theories and mathematical models. This paper provides an overview of over 25 years of research and lessons learned at one of such field research sites on the Columbus Air Force Base in Mississippi, commonly known as the Macrodispersion Experiment (MADE) site. Since the mid‐1980s, field data from the MADE site have been used extensively by researchers around the world to explore complex contaminant transport phenomena in highly heterogeneous porous media. Results from field investigations and modeling analyses suggested that connected networks of small‐scale preferential flow paths and relative flow barriers exert dominant control on solute transport processes. The classical advection‐dispersion model was shown to inadequately represent plume‐scale transport, while the dual‐domain mass transfer model was found to reproduce the primary observed plume characteristics. The MADE site has served as a valuable natural observatory for contaminant transport studies where new observations have led to better understanding and improved models have sprung out analysis of new data.     

Effective macroscopic transport parameters between parallel plates with constant concentration boundaries

A macroscopic transport model is developed, following the Taylor shear dispersion analysis procedure, for a 2D laminar shear flow between parallel plates possessing a constant specified concentration. This idealized geometry models flow with contaminant dissolution at pore-scale in a contaminant source zone and flow in a rock fracture with dissolving walls. We upscale a macroscopic transient transport model with effective transport coefficients of mean velocity, macroscopic dispersion, and first-order mass transfer rate. To validate the macroscopic model the mean concentration, covariance, and wall concentration gradient are compared to the results of numerical simulations of the advection–diffusion equation and the Graetz solution. Results indicate that in the presence of local-scale variations and constant concentration boundaries, the upscaled mean velocity and macrodispersion coefficient differ from those of the Taylor–Aris dispersion, and the mass transfer flux described by the first-order mass transfer model is larger than the diffusive mass flux from the constant wall. In addition, the upscaled first-order mass transfer coefficient in the macroscopic model depends only on the plate gap and diffusion coefficient. Therefore, the upscaled first-order mass transfer coefficient is independent of the mean velocity and travel distance, leading to a constant pore-scale Sherwood number of 12. By contrast, the effective Sherwood number determined by the diffusive mass flux is a function of the Peclet number for small Peclet number, and approaches a constant of 10.3 for large Peclet number.     

Analytical model for fully three‐dimensional radial dispersion in a finite‐thickness aquifer

Analytical solutions for contaminant transport in a non‐uniform flow filed are very difficult and relatively rare in subsurface hydrology. The difficulty is because of the fact that velocity vector in the non‐uniform flow field is space‐dependent rather than constant. In this study, an analytical model is presented for describing the three‐dimensional contaminant transport from an area source in a radial flow field which is a simplest case of the non‐uniform flow. The development of the analytical model is achieved by coupling the power series technique, the Laplace transform and the two finite Fourier cosine transform. The developed analytical model is examined by comparing with the Laplace transform finite difference (LTFD) solution. Excellent agreements between the developed analytical model and the numerical model certificate the accuracy of the developed model. The developed model can evaluate solution for Peclet number up to 100. Moreover, the mathematical behaviours of the developed solution are also studied. More specifically, a hypothetical convergent flow tracer test is considered as an illustrative example to demonstrate the three‐dimensional concentration distribution in a radial flow field. The developed model can serve as benchmark to check the more comprehensive three‐dimensional numerical solutions describing non‐uniform flow contaminant transport. Copyright © 2009 John Wiley & Sons, Ltd.     

Electron velocity distribution function in a plasma with temperature gradient and in the presence of suprathermal electrons: application to incoherent-scatter plasma lines

The plasma dispersion function and the reduced velocity distribution function are calculated numerically for any arbitrary velocity distribution function with cylindrical symmetry along the magnetic field. The electron velocity distribution is separated into two distributions representing the distribution of the ambient electrons and the suprathermal electrons. The velocity distribution function of the ambient electrons is modelled by a near-Maxwellian distribution function in presence of a temperature gradient and a potential electric field. The velocity distribution function of the suprathermal electrons is derived from a numerical model of the angular energy flux spectrum obtained by solving the transport equation of electrons. The numerical method used to calculate the plasma dispersion function and the reduced velocity distribution is described. The numerical code is used with simulated data to evaluate the Doppler frequency asymmetry between the up- and downshifted plasma lines of the incoherent-scatter plasma lines at different wave vectors. It is shown that the observed Doppler asymmetry is more dependent on deviation from the Maxwellian through the thermal part for high-frequency radars, while for low-frequency radars the Doppler asymmetry depends more on the presence of a suprathermal population. It is also seen that the full evaluation of the plasma dispersion function gives larger Doppler asymmetry than the heat flow approximation for Langmuir waves with phase velocity about three to six times the mean thermal velocity. For such waves the moment expansion of the dispersion function is not fully valid and the full calculation of the dispersion function is needed.     

New equations for binary gas transport in porous media,: Part 1: equation development

A rigorous understanding of the mass and momentum conservation equations for gas transport in porous media is vital for many environmental and industrial applications. We utilize the method of volume averaging to derive Darcy-scale, closure-level coupled equations for mass and momentum conservation. The up-scaled expressions for both the gas-phase advective velocity and the mass transport contain novel terms which may be significant under flow regimes of environmental significance. New terms in the velocity expression arise from the inclusion of a slip boundary condition and closure-level coupling to the mass transport equation. A new term in the mass conservation equation, due to the closure-level coupling, may significantly affect advective transport. Order of magnitude estimates based on the closure equations indicate that one or more of these new terms will be significant in many cases of gas flow in porous media.     

Modeling plume behavior for nonlinearly sorbing solutes in saturated homogeneous porous media

Transport of a sorbing solute in a two-dimensional steady and uniform flow field is modeled using a particle tracking random walk method. The solute is initially introduced from an instantaneous point source. Cases of linear and nonlinear sorption isotherms are considered. Local pore velocity and mechanical dispersion are used to describe the solute transport mechanisms at the local scale. The numerical simulation of solute particle transport yields the large scale behavior of the solute plume. Behavior of the plume is quantified in terms of the center-of-mass displacement distance, relative velocity of the center-of-mass, mass breakthrough curves, spread variance, and longitudinal skewness. The nonlinear sorption isotherm affects the plume behavior in the following way relative to the linear isotherm: (1) the plume velocity decreases exponentially with time; (2) the longitudinal variance increases nonlinearly with time; (3) the solute front is steepened and tailing is enhanced     

Incorporating Super‐Diffusion due to Sub‐Grid Heterogeneity to Capture Non‐Fickian Transport

Numerical transport models based on the advection‐dispersion equation (ADE) are built on the assumption that sub‐grid cell transport is Fickian such that dispersive spreading around the average velocity is symmetric and without significant tailing on the front edge of a solute plume. However, anomalous diffusion in the form of super‐diffusion due to preferential pathways in an aquifer has been observed in field data, challenging the assumption of Fickian dispersion at the local scale. This study develops a fully Lagrangian method to simulate sub‐grid super‐diffusion in a multidimensional regional‐scale transport model by using a recent mathematical model allowing super‐diffusion along the flow direction given by the regional model. Here, the time randomizing procedure known as subordination is applied to flow field output from MODFLOW simulations. Numerical tests check the applicability of the novel method in mapping regional‐scale super‐diffusive transport conditioned on local properties of multidimensional heterogeneous media.     

Lateral velocity variation related correction in asymptotic true‐amplitude one‐way propagators

It was mathematically proved that the asymptotic true‐amplitude one‐way wave equation could provide the same amplitude as the full‐wave equation in heterogeneous lossless media in the sense of high‐frequency asymptotics. Much work has been done on the vertical velocity variation related amplitude correction term but the lateral velocity variation related term has not received much attention, even being excluded in some asymptotic true‐amplitude one‐way propagator formulations. Here we analyse the effects of different amplitude correction terms in the asymptotic true‐amplitude one‐way propagator, especially the effect related to the lateral velocity variation, by comparing the wavefield amplitude from the one‐way propagator with that from full‐wave modelling. We derive a dual‐domain wide‐angle screen type asymptotic true‐amplitude one‐way propagator and evaluate two implementations of the amplitude correction. Numerical examples show that the lateral velocity variation related correction term can play a significant role in the asymptotic true‐amplitude one‐way propagator. Optimization of the expansion coefficients in the asymptotic true‐amplitude one‐way propagator can improve both the amplitude and phase accuracy for wide‐angle waves.     

Vectorized simulation of groundwater flow and contaminant transport using analytic element method and random walk particle tracking

Groundwater contaminant transport processes are usually simulated by the finite difference (FDM) or finite element methods (FEM). However, they are susceptible to numerical dispersion for advection‐dominated transport. In this study, a numerical dispersion‐free coupled flow and transport model is developed by combining the analytic element method (AEM) with random walk particle tracking (RWPT). As AEM produces continuous velocity distribution over the entire aquifer domain, it is more suitable for RWPT than FDM/finite element methods. Using the AEM solutions, RWPT tracks all the particles in a vectorized manner, thereby improving the computational efficiency. The present model performs a convolution integral of the response of an impulse contaminant injection to generate concentration distributions due to a permanent contaminant source. The RWPT model is validated with an available analytical solution and compared to an FDM solution, the RWPT model more accurately replicates the analytical solution. Further, the coupled AEM‐RWPT model has been applied to simulate the flow and transport in hypothetical and field aquifer problems. The results are compared with the FDM solutions and found to be satisfactory. The results demonstrate the efficacy of the proposed method.