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Four sets of nonreactive solute transport experiments were conducted with micromodels. Each set consisted of three experiments with one variable, i.e., flow velocity, grain diameter, pore-aspect ratio, and flow-focusing heterogeneity. The data sets were offered to pore-scale modeling groups to test their numerical simulators. Each set consisted of two learning experiments, for which all results were made available, and one challenge experiment, for which only the experimental description and base input parameters were provided. The experimental results showed a nonlinear dependence of the transverse dispersion coefficient on the Peclet number, a negligible effect of the pore-aspect ratio on transverse mixing, and considerably enhanced mixing due to flow focusing. Five pore-scale models and one continuum-scale model were used to simulate the experiments. Of the pore-scale models, two used a pore-network (PN) method, two others are based on a lattice Boltzmann (LB) approach, and one used a computational fluid dynamics (CFD) technique. The learning experiments were used by the PN models to modify the standard perfect mixing approach in pore bodies into approaches to simulate the observed incomplete mixing. The LB and CFD models used the learning experiments to appropriately discretize the spatial grid representations. For the continuum modeling, the required dispersivity input values were estimated based on published nonlinear relations between transverse dispersion coefficients and Peclet number. Comparisons between experimental and numerical results for the four challenge experiments show that all pore-scale models were all able to satisfactorily simulate the experiments. The continuum model underestimated the required dispersivity values, resulting in reduced dispersion. The PN models were able to complete the simulations in a few minutes, whereas the direct models, which account for the micromodel geometry and underlying flow and transport physics, needed up to several days on supercomputers to resolve the more complex problems. [ABSTRACT FROM AUTHOR]

For sites with a contaminant source located in the vadose zone, the nature and extent of groundwater contaminant plumes are a function of the contaminant flux from the vadose zone to groundwater. Especially for thick vadose zones, transport may be relatively slow making it difficult to directly measure contaminant flux. An integrated assessment approach, supported by site characterization and monitoring data, is presented to explain current vadose zone contaminant distributions and to estimate future contaminant flux to groundwater in support of remediation decisions. The U.S. Department of Energy Hanford Site (WA, USA) SX Tank Farm was used as a case study because of a large existing contaminant inventory in its deep vadose zone, the presence of a limited-extent groundwater plume, and the relatively large amount of available data for the site. A predictive quantitative analysis was applied to refine a baseline conceptual model through the completion of a series of targeted simulations. The analysis revealed that site recharge is the most important flux-controlling process for future contaminant flux. Tank leak characteristics and subsurface heterogeneities appear to have a limited effect on long-term contaminant flux into groundwater. The occurrence of the current technetium-99 groundwater plume was explained by taking into account a considerable historical water-line leak adjacent to one of the tanks. The analysis further indicates that the vast majority of technetium-99 is expected to migrate into the groundwater during the next century. The approach provides a template for use in evaluating contaminant flux to groundwater using existing site data and has elements that are relevant to other disposal sites with a thick vadose zone. [ABSTRACT FROM AUTHOR]

Highlights: [•] The perched-water system at Hanford can be analyzed using 1-D simulations. [•] The perching-layer conductivity is considerably smaller than what has been assumed. [•] Perched water will persist with an uranium groundwater discharge of up to 6kg/yr. [•] Removal of perched water will lower the total groundwater mass discharge. [•] Removal of perched water will only moderately decrease groundwater concentrations. [Copyright &y& Elsevier]

Abstract: Xanthan gum solutions are shear thinning fluids which can be used as delivery media to improve the distribution of remedial amendments injected into heterogeneous subsurface environments. The rheological behavior of the shear thinning solution needs to be known to develop an appropriate design for field injection. In this study, the rheological properties of xanthan gum solutions were obtained under various chemical and environmental conditions relevant to delivery of remedial amendments to groundwater. Higher xanthan concentration raised the absolute solution viscosity and increased the degree of shear thinning. Addition of remedial amendments (e.g., phosphate, sodium lactate, ethyl lactate) caused the dynamic viscosity of xanthan solutions to decrease, but they maintained shear-thinning properties. Use of mono- and divalent salts (e.g., Na+, Ca2+) to increase the solution ionic strength also decreased the dynamic viscosity of xanthan and the degree of shear thinning, although the effect reversed at high xanthan concentrations. A power law analysis showed that the consistency index is a linear function of the xanthan concentration. The degree of shear thinning, however, is best described using a logarithmic function. Mechanisms to describe the observed empiricism have been discussed. In the absence of sediments, xanthan solutions maintained their viscosity for months. However, the solutions lost their viscosity over a period of days to weeks when in contact with site sediment. Loss of viscosity is attributed to physical and biodegradation processes. [Copyright &y& Elsevier]

Acquisition of porous media saturated hydraulic conductivity data in the laboratory is usually time consuming and costly because of the manual labor associated with the currently available techniques. Lately, there has been increased interest in automating hydraulic conductivity laboratory techniques to reduce analysis time and improve data consistency. A new apparatus was developed that is able to measure hydraulic conductivity values with the constant-flux, constant-head, and falling-head methods in a fully automated fashion. The apparatus can be used for both packed columns and undisturbed field cores. The column design is such that water is forced to flow in a nominally one-dimensional manner through the porous medium. An analysis is initiated with a "smart search," yielding an estimate of the saturated hydraulic conductivity. The operator can use this estimated value to obtain conductivity values using one, two, or all three methods. Besides installing and removing the columns, no manual efforts are required. Hydraulic conductivity data for standard laboratory sands showed that application of the three methods resulted in similar results, indicating that external flow resistance was small. A comparison with literature data for the same sands, obtained with a constant-flux method, showed differences <9%, [ABSTRACT FROM AUTHOR]

Abstract: Low-permeability zones are typically bypassed when remedial fluids are injected into subsurface heterogeneous aquifer systems. Therefore, contaminants in the bypassed areas may not be contacted by the amendments in the remedial fluid, which may significantly prolong remediation operations. Laboratory experiments and numerical studies have been conducted to investigate the use of a shear-thinning polymer (Xanthan gum) to improve access to low-permeability zones in heterogeneous systems. The chemicals sodium mono-phosphate and the surfactant MA-80 were used as the remedial amendments. The impact of polymer concentration, fluid injection rate, and permeability contrast in the heterogeneous systems has been studied in a series of eleven two-dimensional flow cell experiments. The Subsurface Transport over Multiple Phases (STOMP) simulator was modified to include polymer-induced shear-thinning effects. The experimental and simulation results clearly show that using the polymer leads to an enhanced delivery of remedial amendments to lower-permeability zones and an increased sweeping efficiency. An added benefit of using the polymer is the stabilization of the displacing front when density differences exist between displaced and displacing fluids. The modified STOMP simulator was able to predict the experimental observed fluid displacing behavior well and might be used to predict subsurface remediation performance when a shear-thinning fluid is used to remediate a heterogeneous system at larger scales. [Copyright &y& Elsevier]

Disposal quantities of organic wastes at the Brooklawn Site in Louisiana are suspected to equal nearly 1.45 × 108Kg, making this site one of the most contaminated dense nonaqueous phase liquid (DNAPL) sites in the world. Remedial activities at the site include groundwater and DNAPL extraction from recovery wells. DNAPL recovery has markedly declined in recent years, with many of the peripheral wells showing negligible recovery of organic liquids. Three-dimensional simulations of DNAPL movement in the subsurface were conducted using the STOMP simulator, including a new coupled-well model. The objectives of this modeling effort were to (1) determine the fate and transport of infiltrated DNAPL, and (2) measure the effects of active recovery through DNAPL pumping. A detailed three-dimensional geologic model of the Brooklawn primary DNAPL disposal area was developed and used as the framework for DNAPL simulations. Additionally, site-specific data were obtained to determine the most important hydraulic properties of the subsurface related to DNAPL movement and formation of entrapped DNAPL in the laboratory. In addition to a simulation using the best available subsurface information, several sensitivity simulations were conducted to assess the effects on DNAPL migration. These simulations include DNAPL pumping, well screen extension, an alternative geology, increased DNAPL density, lower DNAPL viscosity, and more-permeable sand and silt deposits. Results of the simulations were compared to field data that define the extent of DNAPL movement based on where DNAPL has been extracted in the site recovery wells. The model simulations show that pumping has a negligible effect on subsurface DNAPL saturations and movement. Pumped DNAPL volumes diminish rapidly due to the limited radius of influence of the wells and movement of the DNAPL out of the zone of influence of the wells with a maximum radius of influence of about 6 m. The numerical analysis also demonstrates that it is impractical to extend existing wells or install new wells to retrieve enough DNAPL to affect the overall extent of DNAPL movement. [ABSTRACT FROM AUTHOR]

An intermediate-scale experiment in a 1.02-m-long, 0.75-m-high, and 0.05-m-wide flow cell was conducted to investigate the behavior of a viscous LNAPL under variable water table conditions. Two viscous LNAPL volumes (0.4 L) were released, one week apart, from a small source zone on top of the flow cell into a partly saturated, homogenously packed porous medium. Following a redistribution period of 30 days after the second release, the water table was increased 0.5 m in 50 minutes. After the water table rise, viscous LNAPL behavior was monitored for an additional 45 days. Fluid saturation scans were obtained periodically with a fully automated dual-energy gamma radiation system. Results show that both spills follow similar paths downwards. Within two hours after the first LNAPL arrival, the capillary fringe was reduced across the cell by approximately 0.04 m (22%). This reduction is directly related to the decrease in the air-water surface tension from 0.072 to 0.057 N/m.LNAPL drainage from the unsaturated zone was relatively slow and a considerable residual LNAPL saturation was observed after 30 days of drainage. Most of the mobile LNAPL moved into the capillary fringe during this period. After a rapid 0.5 m water table rise, the LNAPL moved up in a delayed fashion. The LNAPL used the same path upwards as it used coming down during the infiltration phase. After 45 days, the LNAPL had moved up only approximately 0.2 m. Since the LNAPL had only moved up a limited amount, nonwetting fluid entrapment was limited. The experiment was simulated using the STOMP multifluid flow simulator, which includes entrapped and residual LNAPL saturation formation. A comparison indicates that the simulator is able to predict the observed phenomena well, including residual saturation formation in the vadose zone, and limited upward LNAPL movement after the water table rise. The results of this experiment show that viscous mobile LNAPL, subject to variable water table conditions, does not necessarily float on the water table and may not appear in an observation well. [ABSTRACT FROM AUTHOR]

Flow of nonvolatile nonaqueous phase liquid (NAPL) and aqueous phases that account for mobile, entrapped, and residual NAPL in variably saturated water-wet porous media is modeled and compared against results from detailed laboratory experiments. Residual saturation formation in the vadose zone is a process that is often ignored in multifluid flow simulators, which might cause an overestimation of the volume of NAPL that reaches the ground water. Mobile NAPL is defined as being continuous in the pore space and flows under a pressure gradient or gravitational body force. Entrapped NAPL is defined as being occluded by the aqueous phase, occurring as immobile ganglia surrounded by aqueous phase in the pore space and formed when NAPL is replaced by the aqueous phase. Residual NAPL is defined as immobile, nonwater entrapped NAPL that does not drain from the pore spaces and is conceptualized as being either continuous or discontinuous. Free NAPL comprises mobile and residual NAPL. The numerical model is formulated on mass conservation equations for oil and water, transported via NAPL and aqueous phases through variably saturated porous media. To account for phase transitions, a primary variable switching scheme is implemented for the oil-mass conservation equation over three phase conditions: (1) aqueous or aqueousgas with dissolved oil, (2) aqueous or aqueous-gas with entrapped NAPL, and (3) aqueous or aqueous gas with free NAPL. Two laboratory-scale column experiments are modeled to verify the numerical model. Comparisons between the numerical simulations and experiments demonstrate the necessity to include the residual NAPL formation process in multifluid flow simulators. [ABSTRACT FROM AUTHOR]

A hysteretic constitutive model describing relations among relative permeabilities, saturations, and pressures in fluid systems consisting of air, nonaqueous-phase liquid (NAPL), and water is modified to account for NAPL that is postulated to be immobile in small pores and pore wedges and as films or lenses on water surfaces. A direct outcome of the model is prediction of the NAPL saturation that remains in the vadose zone after long drainage periods (residual NAPL). Using the modified model, water and NAPL (free, entrapped by water, and residual) saturations can be predicted from the capillary pressures and the water and total-liquid saturation-path histories. Relations between relative permeabilities and saturations are modified to account for the residual NAPL by adjusting the limits of integration in the integral expression used for predicting the NAPL relative permeability. When all of the NAPL is either residual or entrapped (i.e., no free NAPL), then the NAPL relative permeability will be zero. We model residual NAPL using concepts similar to those used to model residual water. As an initial test of the constitutive model, we compare predictions to published measurements of residual NAPL. Furthermore, we present results using the modified constitutive theory for a scenario involving NAPL imbibition and drainage. [Copyright &y& Elsevier]

A hysteretic constitutive model describing relations among relative permeabilities, saturations, and pressures in fluid systems consisting of air, nonaqueous-phase liquid (NAPL), and water is modified to account for NAPL that is postulated to be immobile in small pores and pore wedges and as films or lenses on water surfaces. A direct outcome of the model is prediction of the NAPL saturation that remains in the vadose zone after long drainage periods (residual NAPL). Using the modified model, water and NAPL (free, entrapped by water, and residual) saturations can be predicted from the capillary pressures and the water and total-liquid saturation-path histories. Relations between relative permeabilities and saturations are modified to account for the residual NAPL by adjusting the limits of integration in the integral expression used for predicting the NAPL relative permeability. When all of the NAPL is either residual or entrapped (i.e., no free NAPL), then the NAPL relative permeability will be zero. We model residual NAPL using concepts similar to those used to model residual water. As an initial test of the constitutive model, we compare predictions to published measurements of residual NAPL. Furthermore, we present results using the modified constitutive theory for a scenario involving NAPL imbibition and drainage. [Copyright &y& Elsevier]

Detailed three-dimensional multifluid flew modeling was conducted to assess movement and removal of dense nonaqueous phase liquid (DNAPL) movement at a waste site in Louisiana. The site's subsurface consists of several permeable zones separated by (semi) confining days. In the upper subsurface, the two major permeable zones are, starting with the uppermost zone, the +40- and +2-MSL (mean level) zones. At the site, a total of 23,000 m3 of DNAPL was emplaced in an open waste pit between 1962 and 1974. In this period, considerable amounts of DNAPL moved into the subsurface. By 1974 a portion of the DNAPL was removed and the waste site was filled with low-permeabtilty materials and closed. During this process, some of the DNAPL was mixed with the fill material and remained at the site. Between 1974 and 2000, no additional DNAPL recovery activities were Implemented. In an effort to reduce the DNAPL source, organic liquid has been pumped through a timedi)pumping scheme from a total of 7 wells starting in calendar year 2000. The recovery wells are screened in the lower part of the waste fill material. In site investigations, DNAPL has been encountered in the+40-MSLbutnotinthe+20-M$zone.the following questions are addressed: (1) mere has the DNAPL migrated vertically and laterally? (2) How much further is DNAPL expected to move in the next century? (3) How effective is the current DNAPL pumping in reducing the DNAPL source? The computational domains for the simulations were derived from 3-D interpolations of borehole logs using a geologic interpretation software (Earthvislon™). The simulation results show that DNAPL primarily entered the subsurface in the period 1962-1974, when the waste site was operational. After 1974. the infiltration rates dropped dramatically as a result of the infilling of the waste pit. The simulation results indicate that DNAPL moved from the pit into the underlying +40-MSL zone through two contact zones at the west side of the pit. Lateral movement of the DNAPL body has been relatively slow as a result of the high viscosity and the rapidly decreasing driving force after the waste pit was filled in. For all simulations, lateral movement of DNAPL in the period 1962-2001 is predicted to be less than 60 m from the two contact areas, while additional movement in the next century is expected to be less than 30m. No DNAPL is predicted to enter the +20-MSL zone, which agrees with site information. The simulations also clearly demonstrate the minimal effect of the current pumping scheme on source reduction and DNAPL movement. [ABSTRACT FROM AUTHOR]

The formation of residual, discontinuous nonaqueous phase liquids (NAPLs) in the vadose zone is a process that is not well understood. To obtain data that can be used to study the development of a residual NAPL saturation in the vadose zone and to test current corresponding models, detailed transient experiments were conducted in intermediate-scale columns and flow cell. The column experiments were conducted to determine residual carbon tetrachloride (CCl4) saturations of two sands and to evaluate the effect of CCl4 vapors on the water distribution. In the intermediate-scale flow cell experiment, a rectangular zone of the fine-grained sand was packed in an otherwise medium-grained matrix. A limited amount of CCl4 was injected from a small source and allowed to redistribute until a pseudo steady state situation had developed. A dual-energy gamma radiation system was used to determine fluid saturations at numerous locations. The experiments clearly demonstrated the formation of residual CCl4 saturations in both sands. Simulations with an established multifluid flow simulator show the shortcomings of current relative permeability–saturation–capillary pressure (k–S–P) models. The results indicate that nonspreading behavior of NAPLs should be implemented in simulators to account for the formation of residual saturations. [Copyright &y& Elsevier]

Examines the movement of nonaqueous-phase liquids (NAPLs), such as chlorinated solvents and petroleum hydrocarbons. Location of NAPLs on the subsurface of many sites; Description of NAPLs as long-term contaminants; Methodology used to test NAPLs; Results of the experiments.

Presents an overview of a transport simulator for various grid Peclet numbers based on the Flux Corrected Transport (FCT) technique. Simulation algorithms for advective-dispersive transport; Generation of flow simulators; Description of the FCT technique; Application of the PMFCT-2D code; Comparison of one- and two-dimensional transport.

A testing methodology is presented that supports the development of a field design for in situ gaseous treatment of sediments with diluted hydrogen sulfide. This approach involves the collection of column breakthrough test results at various flow rates, allowing a relationship to be developed between pore velocity of the carrier gas and velocity of the hydrogen sulfide reaction front that permits sizing to the field scale. A regression fit of a set of laboratory column breakthrough test data collected in this study is utilized to illustrate the development of a field design based on a two-dimensional radial flow analytical model. Information regarding treatment time and hydrogen sulfide consumption characteristics associated with in situ gaseous treatment can then be obtained from this model and used as a basis for estimation of treatment schedule and costs. The regression relationship can also be utilized in numerical models in more complex geometries to support the field design of in situ gaseous treatment operations. [ABSTRACT FROM AUTHOR]

A method termed vapor-phase tomography has recently been proposed to characterize the distribution of volatile organic contaminant mass in vadose-zone source areas, and to measure associated three-dimensional distributions of local contaminant mass discharge. The method is based on measuring the spatial variability of vapor flux, and thus inherent to its effectiveness is the premise that the magnitudes and temporal variability of vapor concentrations measured at different monitoring points within the interrogated area will be a function of the geospatial positions of the points relative to the source location. A series of flow-cell experiments was conducted to evaluate this premise. A well-defined source zone was created by injection and extraction of a non-reactive gas (SF 6 ). Spatial and temporal concentration distributions obtained from the tests were compared to simulations produced with a mathematical model describing advective and diffusive transport. Tests were conducted to characterize both areal and vertical components of the application. Decreases in concentration over time were observed for monitoring points located on the opposite side of the source zone from the local-extraction point, whereas increases were observed for monitoring points located between the local-extraction point and the source zone. The results illustrate that comparison of temporal concentration profiles obtained at various monitoring points gives a general indication of the source location with respect to the extraction and monitoring points. [ABSTRACT FROM AUTHOR]

The effectiveness of in situ treatment using zero-valent iron (ZVI) for nonaqueous phase or significant sediment-associated contaminant mass can be limited by relatively low rates of mass transfer to bring contaminants in contact with the reactive media. For a field test in a trichloroethene (TCE) source area, combining moderate-temperature subsurface electrical resistance heating with in situ ZVI treatment was shown to accelerate TCE treatment by a factor of about 4 based on organic daughter products and a factor about 8 based on chloride concentrations. A mass-discharge-based analysis was used to evaluate reaction, dissolution, and volatilization processes at ambient groundwater temperature (∼10 °C) and as temperature was increased up to about 50 °C. Increased reaction and contaminant dissolution were observed with increased temperature, but vapor- or aqueous-phase migration of TCE out of the treatment zone was minimal during the test because reactions maintained low aqueous-phase TCE concentrations. [ABSTRACT FROM AUTHOR]

Abstract: A series of flow-cell experiments was conducted to investigate aqueous dissolution and mass-removal behavior for systems wherein immiscible liquid was non-uniformly distributed in physically heterogeneous source zones. The study focused specifically on characterizing the relationship between mass flux reduction and mass removal for systems for which immiscible liquid is poorly accessible to flowing water. Two idealized scenarios were examined, one wherein immiscible liquid at residual saturation exists within a lower-permeability unit residing in a higher-permeability matrix, and one wherein immiscible liquid at higher saturation (a pool) exists within a higher-permeability unit adjacent to a lower-permeability unit. The results showed that significant reductions in mass flux occurred at relatively moderate mass-removal fractions for all systems. Conversely, minimal mass flux reduction occurred until a relatively large fraction of mass (>80%) was removed for the control experiment, which was designed to exhibit ideal mass removal. In general, mass flux reduction was observed to follow an approximately one-to-one relationship with mass removal. Two methods for estimating mass-flux-reduction/mass-removal behavior, one based on system-indicator parameters (ganglia-to-pool ratio) and the other a simple mass-removal function, were used to evaluate the measured data. The results of this study illustrate the impact of poorly accessible immiscible liquid on mass-removal and mass-flux processes, and the difficulties posed for estimating mass-flux-reduction/mass-removal behavior. [Copyright &y& Elsevier]

In situ denitrification relies on indigenous microorganisms to reduce nitrate to N2 gas. However, when initial nitrate concentrations are large, produced gas volumes also can be very large, potentially resulting in reduced water saturation and hydraulic conductivity in the treatment zone. In this study, we investigated the fate of N2 and other gases produced during denitrification in a laboratory flow cell containing packed sediment. Denitrifying activity was stimulated by additions of nitrate and ethanol. Microbial activity was monitored by measuring nitrate, nitrite, and ethanol concentrations; gas saturations were measured during the experiment using a gamma imaging system. Biomass was measured using phospholipid fatty acid analysis of sediment samples. Bioenergetic calculations calibrated to measured nitrate consumed and biomass produced predicted that 1.2 L N2 gas/L water should have been produced following the addition of 100 mM nitrate. However, the maximum measured gas saturation was only 23%, indicating substantial gas loss from the sediment pack. Temporal gamma images and visual observations confirm that small gas bubbles formed in the sediment pack coalesced into larger bubbles and migrated upward through gas-filled channels to the sediment pack surface. Although gas saturations increased, there was no significant change in sediment pack hydraulic conductivity. These results suggest that in permeable reactive barriers used for in situ denitrification, gas production will not necessarily lead to unlimited gas accumulation in the pore space and that the effects of gas production on water saturation and hydraulic conductivity may be relatively minor. [ABSTRACT FROM AUTHOR]