A novel two-dimensional model for colloid transport in physically and geochemically heterogeneous porous media

A two-dimensional model for colloid transport in geochemically and physically heterogeneous porous media is presented. The model considers patchwise geochemical heterogeneity, which is suitable to describe the chemical variability of many surficial aquifers with ferric oxyhydroxide-coated porous matrix, as well as spatial variability of hydraulic conductivity, which results in heterogeneous flow field. The model is comprised of a transient fluid flow equation, a transient colloid transport equation, and an equation for the dynamics of colloid deposition and release. Numerical simulations were carried out with the model to investigate the colloid transport behavior in layered and randomly heterogeneous porous media. Results demonstrate that physical and geochemical heterogeneities markedly affect the colloid transport behavior. Layered physical or geochemical heterogeneity can result in distinct preferential flow paths of colloidal particles. Furthermore, the combined effect of layered physical and geochemical heterogeneity may result in enhanced or reduced preferential flow of colloids. Random distribution of physical heterogeneity (hydraulic conductivity) results in a random flow field and an irregularly distributed colloid concentration profile in the porous medium. Contrary to random physical heterogeneity, the effect of random patchwise geochemical heterogeneity on colloid transport behavior is not significant. It is mostly the mean value of geochemical heterogeneity rather than its distribution that governs the colloid transport behavior.     

Virus transport in physically and geochemically heterogeneous subsurface porous media

A two-dimensional model for virus transport in physically and geochemically heterogeneous subsurface porous media is presented. The model involves solution of the advection-dispersion equation, which additionally considers virus inactivation in the solution, as well as virus removal at the solid matrix surface due to attachment (deposition), release, and inactivation. Two surface inactivation models for the fate of attached inactive viruses and their subsequent role on virus attachment and release were considered. Geochemical heterogeneity, portrayed as patches of positively charged metal oxyhydroxide coatings on collector grain surfaces, and physical heterogeneity, portrayed as spatial variability of hydraulic conductivity, were incorporated in the model. Both layered and randomly (log-normally) distributed physical and geochemical heterogeneities were considered. The upstream weighted multiple cell balance method was employed to numerically solve the governing equations of groundwater flow and virus transport. Model predictions show that the presence of subsurface layered geochemical and physical heterogeneity results in preferential flow paths and thus significantly affect virus mobility. Random distributions of physical and geochemical heterogeneity have also notable influence on the virus transport behavior. While the solution inactivation rate was found to significantly influence the virus transport behavior, surface inactivation under realistic field conditions has probably a negligible influence on the overall virus transport. It was further demonstrated that large virus release rates result in extended periods of virus breakthrough over significant distances downstream from the injection sites. This behavior suggests that simpler models that account for virus adsorption through a retardation factor may yield a misleading assessment of virus transport in "hydrogeologically sensitive" subsurface environments.     

Evaluation of tritiated water diffusion through the Toarcian clayey formation of the Tournemire experimental site (France)

Through-diffusion experiments with tritiated water were performed on argillaceous samples from various zones of the Tournemire test site. It was intended to evaluate the homogeneity of the transport property of unfracturated samples and the influence of the orientation and the nature of the samples (presence of an opened fracture or a pre-existing tectonic fracture filled with calcite and pyrite). Homogeneous values of the tritiated water (HTO) effective diffusion coefficients were deduced from experiments carried out when diffusion occurred parallel to the stratigraphic bedding, with an apparent sensitivity to experimental conditions. Anisotropy was significant, De(HTO) perpendicular to the bedding being 1/3 lower than that parallel to the bedding. The observed fractures of the samples created by mechanical stress and partial dehydration during sawing and the presence of a pre-existing opened fracture did not affect the effective diffusion coefficients of tritiated water, which is probably due to the healing ability of the clayey medium during the re-saturation phases of the equilibrium steps performed prior to the diffusion experiments. On the contrary, a significant decrease of this transport parameter was induced by the occurrence of a pre-existing tectonic fracture, which was assigned to the dense structure of the filling phases.     

Effects of biofilm growth on flow and transport through a glass parallel plate fracture

The effects of biofilm growth on flow and solute transport through a sandblasted glass parallel plate fracture was investigated. The fracture was inoculated using soil microorganisms. Glucose, oxygen and other nutrients were supplied to support growth. The biomass initially formed discrete clusters attached to the glass surfaces, but over time formed a continuous biofilm. From dye tracer tests conducted during biofilm growth, it was observed that channels and low-permeability zones dominated transport. The hydraulic conductivity of the fracture showed a sigmoidal decrease with time. The hydraulic conductivity was reduced by a factor of 0.033, from 18 to 0.6 cm/s, corresponding to a 72% decrease in the hydraulic aperture, from 500 to 140 microm. In contrast, the mass balance aperture, determined from fluoride tracer tests, remained relatively constant, indicating that the impact of biomass growth on effective fracture porosity was much less than the effect on hydraulic conductivity. Analyses of pre-biofilm tracer tests revealed that both Taylor dispersion and macrodispersion were influencing transport. During biofilm growth, only macrodispersion was dominant. The macrodispersion coefficient alpha(macro) was found to increase logarithmically with hydraulic conductivity reduction.     

Implications of non-equilibrium transport in heterogeneous reactive barrier systems: evidence from laboratory denitrification experiments

Organic substrates in reactive barrier systems are often heterogeneous material mixtures with relatively large contrasts in hydraulic conductivity and porosity over short distances. These short-range variations in material properties imply that preferential flow paths and diffusion between regions of higher and lower hydraulic conductivity may be important for treatment efficiency. This paper presents the results of a laboratory column experiment where denitrification is investigated using a heterogeneous reactive substrate (sawdust mixed with sewage sludge). Displacement experiments with a non-reactive solute at three different flow rates are used to estimate transport parameters using a dual porosity non-equilibrium model. Parameter estimation from breakthrough curves produced relatively consistent values for the fraction of the porosity consisting of mobile water (β) and the mass transfer coefficient (α), with average values of 0.27 and 0.42 d(-1), respectively. The column system removes >95% of the influent nitrate at low and medium flow, but only 50-75% of the influent nitrate at high flow, suggesting that denitrification kinetics and diffusive mass transfer rates are limiting the degree of treatment at lower hydraulic residence times. Reactive barrier systems containing dual porosity media must therefore consider mass transfer times in their design; this is often most easily accommodated by adjusting flowpath length.     

Modeling instability development in layered systems

This study investigates patterns of finger development and propagation in layered porous media. Fingers are created with interfacial perturbations, formed by adding a thin zone of regularly varying hydraulic conductivity along the layer. Simulation results agree qualitatively with those observed in two-dimensional laboratory experiments. In all cases, the formation of instabilities requires seeding of perturbations, even if the system is unstably stratified. A series of simulations show how the shapes of the instabilities differ according to where along the unstable interface the instabilities form and the layer in which they develop. Pathline analyses indicate how the patterns of flow in the domain can be exceedingly complex. Concentration distributions are influenced by movements of water between layers and the formation of a large convection cell in the lowermost layer. These numerical investigations reinforce inferences from the experimental studies that classical stability theory is less useful in determining whether instabilities will form and what their shape will be. Even with the relatively simple layering, patterns of flow and resulting concentrations are complex.     

Parameter and observation importance in modelling virus transport in saturated porous media-investigations in a homogenous system

This paper evaluates the importance of seven types of parameters to virus transport: hydraulic conductivity, porosity, dispersivity, sorption rate and distribution coefficient (representing physical-chemical filtration), and in-solution and adsorbed inactivation (representing virus inactivation). The first three parameters relate to subsurface transport in general while the last four, the sorption rate, distribution coefficient, and in-solution and adsorbed inactivation rates, represent the interaction of viruses with the porous medium and their ability to persist. The importance of four types of observations to estimate the virus-transport parameters are evaluated: hydraulic heads, flow, temporal moments of conservative-transport concentrations, and virus concentrations. The evaluations are conducted using one- and two-dimensional homogeneous simulations, designed from published field experiments, and recently developed sensitivity-analysis methods. Sensitivity to the transport-simulation time-step size is used to evaluate the importance of numerical solution difficulties. Results suggest that hydraulic conductivity, porosity, and sorption are most important to virus-transport predictions. Most observation types provide substantial information about hydraulic conductivity and porosity; only virus-concentration observations provide information about sorption and inactivation. The observations are not sufficient to estimate these important parameters uniquely. Even with all observation types, there is extreme parameter correlation between porosity and hydraulic conductivity and between the sorption rate and in-solution inactivation. Parameter estimation was accomplished by fixing values of porosity and in-solution inactivation.     

Bioretention column studies of phosphorus removal from urban stormwater runoff.

This study investigated the effectiveness of bioretention as a stormwater management practice using repetitive bioretention columns for phosphorus removal. Bioretention media, with a higher short-term phosphorus sorption capacity, retained more phosphorus from infiltrating runoff after 3 mg/L phosphorus loading. A surface mulch layer prevented clogging after repetitive total suspended solids input. Evidence suggests that long-term phosphorus reactions will regenerate active short-term phosphorus adsorption sites. A high hydraulic conductivity media overlaying one with low hydraulic conductivity resulted in a higher runoff infiltration rate, from 0.51 to 0.16 cm/min at a fixed 15-cm head, and was more efficient in phosphorus removal (85% mass removal) than a profile with low conductivity media over high (63% mass removal). Media extractions suggest that most of the retained phosphorus in the media layers is available for vegetative uptake and that environmental risk thresholds were not exceeded.     

Investigation of hydrogeologic processes in a dipping layer structure: 1. The flow barrier effect

Numerical simulations of a field experiment were performed in order to study the processes contributing to lateral diversion of water flow in the unsaturated zone. The experimental site is a glacial delta with dipping layers of alternating finer and coarser sand. Model soil physical parameters for each of the stratigraphic layers were estimated from soil grain size distributions. Anisotropy of the hydraulic conductivity within the layers was critical in order to reproduce the flow pattern observed in the experiment. Capillary and hydraulic barriers were of minor importance for the observed lateral diversion.     

Electrokinetic ion transport through unsaturated soil: 2. Application to a heterogeneous field site

Results of a field demonstration of electrokinetic transport of acetate through an unsaturated heterogeneous soil are compared to numerical modeling predictions. The numerical model was based on the groundwater flow and transport codes MODFLOW and MT3D modified to account for electrically induced ion transport. The 6-month field demonstration was conducted in an unsaturated layered soil profile where the soil moisture content ranged from 4% to 28% (m3 m(-3)). Specially designed ceramic-cased electrodes maintained a steady-state moisture content and electric potential field between the electrodes during the field demonstration. Acetate, a byproduct of acetic acid neutralization of the cathode electrolysis reaction, was transported from the cathode to the anode by electromigration. Field demonstration results indicated preferential transport of acetate through soil layers exhibiting higher moisture content/electrical conductivity. These field transport results agree with theoretical predictions that electromigration velocity is proportional to a power function of the effective moisture content. A numerical model using a homogeneous moisture content/electrical conductivity domain did not adequately predict the acetate field results. Numerical model predictions using a three-layer electrical conductivity/moisture content profile agreed qualitatively with the observed acetate distribution. These results suggest that field heterogeneities must be incorporated into electrokinetic models to predict ion transport at the field-scale.     

Evaluation of groundwater flow patterns around a dual-screened groundwater circulation well

Dual-screened groundwater circulation wells (GCWs) can be used to remove contaminant mass and to mix reagents in situ. GCWs are so named because they force water in a circular pattern between injection and extraction screens. The radial extent, flux and direction of the effective flow of this circulation cell are difficult to measure or predict. The objective of this study is to develop a robust protocol for assessing GCW performance. To accomplish this, groundwater flow patterns surrounding a GCW are assessed using a suite of tools and data, including: hydraulic head, in situ flow velocity, measured hydraulic conductivity data from core samples, chemical tracer tests, contaminant distribution data, and numerical flow and transport models. The hydraulic head data show patterns that are consistent with pumping on a dual-screened well, however, many of the observed changes are smaller than expected. In situ thermal perturbation flow sensors successfully measured horizontal flow, but vertical flow could not be determined with sufficient accuracy to be useful in mapping flow patterns. Two types of chemical tracer tests were utilized at the site and showed that much of the flow occurs within a few meters of the GCW. Flow patterns were also assessed based on changes in contaminant (trichloroethylene, TCE) concentrations over time. The TCE data clearly showed treated water moving away from the GCW at shallow and intermediate depths, but the circulation of that water back to the well, except very close to the well, was less clear. Detailed vertical and horizontal hydraulic conductivities were measured on 0.3 m-long sections from a continuous core from the GCW installation borehole. The measured vertical and horizontal hydraulic conductivity data were used to construct numerical flow and transport models, the results of which were compared to the head, velocity and concentration data. Taken together, the field data and modeling present a fairly consistent picture of flow and transport around the GCW. However, the time and expense associated with conducting all of those tests would be prohibitive for most sites. As a consequence, a sequential protocol for GCW characterization is presented here in which the number of tools used can be adjusted to meet the needs of individual sites. While not perfect, we believe that this approach represents the most efficient means for evaluating GCW performance.     

Numerical modeling of coupled variably saturated fluid flow and reactive transport with fast and slow chemical reactions

The couplings among chemical reaction rates, advective and diffusive transport in fractured media or soils, and changes in hydraulic properties due to precipitation and dissolution within fractures and in rock matrix are important for both nuclear waste disposal and remediation of contaminated sites. This paper describes the development and application of LEHGC2.0, a mechanistically based numerical model for simulation of coupled fluid flow and reactive chemical transport, including both fast and slow reactions in variably saturated media. Theoretical bases and numerical implementations are summarized, and two example problems are demonstrated. The first example deals with the effect of precipitation/dissolution on fluid flow and matrix diffusion in a two-dimensional fractured media. Because of the precipitation and decreased diffusion of solute from the fracture into the matrix, retardation in the fractured medium is not as large as the case wherein interactions between chemical reactions and transport are not considered. The second example focuses on a complicated but realistic advective-dispersive-reactive transport problem. This example exemplifies the need for innovative numerical algorithms to solve problems involving stiff geochemical reactions.     

Probabilistic study of well capture zones distribution at the Lauswiesen field site

The delineation of well capture zones is of utmost environmental and engineering relevance as pumping wells are commonly used both for drinking water supply needs, where protection zones have to be defined, and for investigation and remediation of contaminated aquifers. We analyze the probabilistic nature of well capture zones within the well field located at the "Lauswiesen" experimental site. The test site is part of an alluvial heterogeneous aquifer located in the Neckar river valley, close to the city of Tübingen in South-West Germany. We explore the effect of different conceptual models of the structure of aquifer heterogeneities on the delineation of three-dimensional probabilistic well catchment and time-related capture zones, in the presence of migration of conservative solutes. The aquifer is modeled as a three-dimensional, doubly stochastic composite medium, where distributions of geo-materials and hydraulic properties are uncertain. We study the relative importance of uncertain facies geometry and uncertain hydraulic conductivity and porosity on predictions of catchment and solute time of travel to the pumping well by focusing on cases in which (1) the facies distribution is random, but the hydraulic properties of each material are fixed, and (2) both facies geometry and material properties vary stochastically. The problem is tackled within a conditional numerical Monte Carlo framework. Results are provided in terms of probabilistic demarcations of the three-dimensional well catchment and time-related capture zones. Our findings suggest that the uncertainty associated with the prediction of the location of the outer boundary of well catchment at the "Lauswiesen" site is significantly affected by the conceptual model adopted to incorporate the heterogeneous nature of the aquifer domain in a predictive framework. Taking into account randomness of both lithofacies distribution and materials hydraulic conductivity allows recognizing the existence of preferential flow paths that influence the extent of the well catchment and the solute travel time distribution at the site.     

Modeling colloid-facilitated transport of multi-species contaminants in unsaturated porous media

Colloid-facilitated transport has been recognized as a potentially important and overlooked contaminant transport process. In particular, it has been observed that conventional two phase sorption models are often unable to explain transport of highly sorbing compounds in the subsurface appropriately in the presence of colloids. In this study a one-dimensional model for colloid-facilitated transport of chemicals in unsaturated porous media is developed. The model has parts for simulating coupled flow, and colloid transport and dissolved and colloidal contaminant transport. Richards' equation is solved to model unsaturated flow, and the effect of colloid entrapment and release on porosity and hydraulic conductivity of the porous media is incorporated into the model. Both random sequential adsorption and Langmuir approaches have been implemented in the model in order to incorporate the effect of surface jamming. The concept of entrapment of colloids into the air-water interface is used for taking into account the effect of retardation caused due to existence of the air phase. A non-equilibrium sorption approach with options of linear and Langmuir sorption assumptions are implemented that can represent the competition and site saturation effects on sorption of multiple compounds both to the solid matrix and to the colloidal particles. Several demonstration calculations are performed and the conditions in which the non-equilibrium model can be approximated by an equilibrium model are also studied.     

Interaction between water flow and spatial distribution of microbial growth in a two-dimensional flow field in saturated porous media

Bacterial growth and its interaction with water flow was investigated in a two-dimensional flow field in a saturated porous medium. A flow cell (56 x 44 x 1 cm) was filled with glass beads and operated under a continuous flow of a mineral medium containing nitrate as electron acceptor. A glucose solution was injected through an injection port, simulating a point source contamination. Visible light transmission was used to observe the distribution of the growing biomass and water flow during the experiment. At the end of the experiment (on day 31), porous medium samples were destructively collected and analyzed for abundance of total and active bacterial cells, bacterial cell volume and concentration of polysaccharides and proteins. Microbial growth was observed in two stripes along the length of the flow cell, starting at the glucose injection port, where highest biomass concentrations were obtained. The spatial distribution of biomass indicated that microbial activity was limited by transverse mixing between glucose and nitrate media, as only in the mixing zone between the media high biological activities were achieved. The ability of the biomass to change the flow pattern in the flow cell was observed, indicating that the biomass was locally reducing the hydraulic conductivity of the porous medium. This bioclogging effect became evident when the injection of the glucose solution was turned off and water flow still bypassed the area around the glucose injection port, preserving the flow pattern as it was during the injection of the glucose solution. As flow bypass was possible in this system, the average hydraulic properties of the flow cell were not affected by the produced biomass. Even in the vicinity of the injection port, the total volume of the bacterial cells remained below 0.01% of the pore space and was unlikely to be responsible for the bioclogging. However, the bacteria produced large amounts of extracellular polymeric substances (EPS), which likely caused the observed bioclogging effects.     

Diffusive flux and pore anisotropy in sedimentary rocks

Diffusion of dissolved contaminants into or from bedrock matrices can have a substantial impact on both the extent and longevity of dissolved contaminant plumes. For layered rocks, bedding orientation can have a significant impact on diffusion. A series of laboratory experiments was performed on minimally disturbed bedrock cores to measure the diffusive flux both parallel and normal to mineral bedding of four different anisotropic sedimentary rocks. Measured effective diffusion coefficients ranged from 4.9×10(-8) to 6.5×10(-7)cm(2)/s. Effective diffusion coefficients differed by as great as 10-folds when comparing diffusion normal versus parallel to bedding. Differences in the effective diffusion coefficients corresponded to differences in the "apparent" porosity in the orientation of diffusion (determined by determining the fraction of pore cross-sectional area measured using scanning electron microscopy), with the difference in apparent porosity between normal and parallel bedding orientations differing by greater than 2-folds for two of the rocks studied. Existing empirical models failed to provide accurate predictions of the effective diffusion coefficient in either bedding orientation for all four rock types studied, indicating that substantial uncertainty exists when attempting to predict diffusive flux through sedimentary rocks containing mineral bedding. A modified model based on the apparent porosity of the rocks provided a reasonable prediction of the experimental diffusion data.     

新型人工浮岛流场数值模拟与结构优化分析

近期提出的新型人工浮岛是通过两种不同透水能力基质材料的填充在系统内部形成2个不同水流与溶解氧浓度区域，两区域的过流能力及两者之间水流交换量对系统脱氮除磷效果具有较大的影响。为实现这一新型人工浮岛基质结构设计参数的优化，进一步提高净化能力，应用数值模拟方法对不同结构条件下流场进行了模拟。模拟结果发现，影响两区域水流交换量及其过流能力的主要因素包括：基质材料的填充形状、填充深度及透水能力，其中“钟乳状”形态较“层状”填充形态人工浮岛具有更好的两区域间水流交换能力及过流能力，理论上具有更好的净化效果。根据模拟结果确定的设计参数构建小试试验系统进行对比试验研究，试验结果与数值模拟结论吻合。可见，采用数值模拟方法对人工浮岛内部水流状态进行模拟分析，能够为人工浮岛结构优化设计提供依据。     

A comparison of hydraulic and transport parameters measured in low-permeability fractured media

Data from 90 tracer experiments performed in low-permeability fractured media have been studied to explore correlations among parameters controlling flow and transport. The original data had been interpreted by different authors using different models, which prevents direct comparison of their estimated parameters. In order to produce comparable parameters, the data have been reexamined using simple models (homogeneous domain, steady-state flow regime, single porosity). Specifically, hydraulic conductivity has been derived as the ratio of water flux to head gradient and apparent porosity as the ratio of water velocity to water flux; the former estimated from both first and peak arrival times. Hydraulic conductivity and porosity correlate along a straight line of slope 1:3 in log scale. While the regression is too noisy to be of predictive use, it lends some support to the use of a generalized cubic law. The fact that correlation for first arrival time porosity (0.77) is larger than for peak arrival porosity (0.62) suggests that first arrival is controlled by the same flow paths as hydraulic conductivity. Apparent porosity derived from peak arrival time is found to grow with travel time along a line of 0.55 slope (again log scale). The correlation coefficient ranges between 0.73 and 0.80 (depending on the data set) for hard rocks. The fact that this correlation is maintained when varying the flow rate at a given site leads us to suggest that it is caused by diffusion mechanisms. This conclusion is further supported by the increase of apparent porosity with the matrix porosity of the rock on which the experiments were performed.