Pore-scale simulation of entrapped non-aqueous phase liquid dissolution

We investigated the dissolution of non-aqueous phase liquids (NAPLs) in a three-dimensional random sphere-pack medium using a pore-scale modeling approach to advance fundamental understanding and connect rigorously to microscale processes. Residual NAPL distributions were generated using a morphological approach and the entrapped non-wetting phase was quantitatively characterized by calculating volume, orientation, interfacial area, and shape of isolated NAPL regions. With a detailed aqueous-phase flow field obtained by a multiple-relaxation time lattice Boltzmann approach, we solved the advective–diffusive equation in the pore space using a high-resolution, adaptive-stencil finite-volume scheme and an operator-splitting algorithm. We show good agreement between the mass transfer rates predicted in the computational approach and previously published experimental observations. The pore-scale simulations presented in this work provide the first three-dimensional comparison to the considerable experimental work that has been performed to derive constitutive relations to quantify mass transfer from a residual NAPL to a flowing aqueous phase.     

The effect of spontaneous gas expansion and mobilization on the aqueous-phase concentrations above a dense non-aqueous phase liquid pool

The spontaneous expansion and mobilization of discontinuous gas above dense non-aqueous-phase liquid (DNAPL) pools can affect the aqueous-phase concentrations of the DNAPL constituents above the pool. The results of an intermediate-scale, two-dimensional flow cell experiment showed that the discontinuous gas flow produced by spontaneous expansion, driven by the partitioning of 1,1,1-TCA from the surface of a DNAPL pool, resulted in detectable aqueous-phase concentrations of 1,1,1-TCA well above the pool surface. In comparison to a conventional model for DNAPL pool dissolution in the absence of a discontinuous gas phase, these concentrations were greater than expected, and were present at greater than expected elevations. Additionally, this study showed that the discontinuous gas flow produced transient behavior in the aqueous-phase concentrations, where the elevated concentrations occurred as short-term, pulse-like events. These results suggest that the spontaneous expansion and mobilization of discontinuous gas in DNAPL source zones could lead to the misdiagnosis of source zone architecture using aqueous concentration data, and that the transient nature of the elevated concentrations could further complicate the difficult task of source zone characterization.     

The influence of dimensionality on simulations of mass recovery from nonuniform dense non-aqueous phase liquid (DNAPL) source zones

The influence of model dimensionality on predictions of mass recovery from dense non-aqueous phase liquid (DNAPL) source zones in nonuniform permeability fields was investigated using a modified version of the modular three-dimensional transport simulator (MT3DMS). Thirty-two initial two- (2D) and three-dimensional (3D) tetrachloroethene–DNAPL source zone architectures, taken from a recent modeling study, were used as initial conditions for this analysis. Commonly employed source zone metrics were analyzed to determine differences between 2D and 3D predictions: (i) down-gradient flux-averaged contaminant concentration, (ii) reductions in contaminant mass flux through a down-gradient boundary, (iii) source zone ganglia-to-pool (GTP) ratio, and (iv) time required to achieve a remediation objective. 3D flux-averaged contaminant concentrations were approximately 3.5 times lower than concentrations simulated in 2D. This difference was attributed to dilution of the contaminant concentrations down gradient of the source zone. Contaminant flux reduction predictions for a given mass recovery were generally 5% higher in 3D simulations than in 2D simulations. The GTP ratio declined over time as mass was recovered in both 2D and 3D simulations. Although the source longevity (i.e., time required to achieve 99.99% mass recovery) differed between individual 2D and 3D realizations, the mean source longevity for the 2D and 3D simulation ensembles was within 2%. 2D simulations tended to over-predict the time required to achieve lower mass recovery levels (e.g. 50% mass recovery) due to a smaller contaminated area exposed to uncontaminated water. These findings suggest that ensemble averages of 2D numerical simulations of DNAPL migration, entrapment, dissolution, and mass recovery in statistically homogenous, nonuniform media may provide reasonable approximations to average behavior obtained using simulations conducted in fully three-dimensional domains.     

Non-invasive lab test in the monitoring of vadose zone contaminated by light non-aqueous phase liquid

We discuss a strategy capable of a quantitative long-term monitoring of water saturation and volume variation of light non-aqueous phase liquids in the soil. The goal was reached monitoring a controlled sand cell contaminated with classical gasoline over 124 days, using geophysical methods such as electrical resistivity tomography, induced polarization and ground penetrating radar. We show that empirical relations, linking the water saturation to the physical parameters measured as resistivity from electrical resistivity tomography and travel time from georadar with advanced processing, are good tools for this purpose. The consistence of the proposed process is validated by both good overlap of results carried out from electrical resistivity tomography and georadar and theoretical models simulating the actual experiment.     

Static and push-pull methods using radon-222 to characterize dense nonaqueous phase liquid saturations

Naturally occurring radon in ground water can potentially be used as an in situ partitioning tracer to characterize dense nonaqueous phase liquid (DNAPL) saturations. The static method involves comparing radon concentrations in water samples from DNAPL-contaminated and noncontaminated portions of an aquifer, while the push-pull method involves the injection (push) and extraction (pull) of a radon-free test solution from a single well. In the presence of DNAPL, radon concentrations during the pull phase are retarded, with retardation manifested in greater dispersion of radon concentrations relative to a conservative tracer. The utility of these methods was investigated in the laboratory using a physical aquifer model (PAM). Static and push-pull tests were performed before and after contamination of the PAM sediment pack with trichloroethene (TCE), and after alcohol cosolvent flushing and pump-and-treat remediation. Numerical simulations were used to estimate the retardation factor for radon in push-pull tests. Radon partitioning was observed in static and push-pull tests conducted after TCE contamination. Calculated TCE saturations ranged up to 1.4% (static test) and 14.1% (push-pull test). Post-remediation tests showed decreases in TCE saturations. The results show that radon is sensitive to changes in DNAPL saturation in space and time. However, the methods are sensitive to DNAPL saturation heterogeneity, test location, sample size, and test design. The influence of these factors on test results, as well as the apparent overestimation of the retardation factor in push-pull tests, warrant further investigation.     

Comparison of relative permeability–fluid saturation–capillary pressure relations in the modelling of non-aqueous phase liquid infiltration in variably saturated,layered media

The characteristic functions relating relative permeabilities and capillary pressures to fluid saturations (k_r–S–P_c models) are of great importance for the modelling of sub-surface multi-phase flow and transport. In order to test their performance and to identify their important parameters, four well-known three-phase k_r–S–P_c models have been tested against published experimental data on non-aqueous phase liquid (NAPL) migration in the unsaturated zone. Both homogenous systems and systems with embedded heterogeneities have been analysed.     

Dissolution of residual non-aqueous phase liquids in porous media: pore-scale mechanisms and mass transfer rates

Experiments designed to elucidate the pore-scale mechanisms of the dissolution of a residual non-aqueous phase liquid (NAPL), trapped in the form of ganglia within a porous medium, are discussed. These experiments were conducted using transparent glass micromodels with controlled pore geometry, so that the evolution of the size and shape of individual NAPL ganglia and, hence, the pore-scale mass transfer rates and mass transfer coefficients could be determined by image analysis. The micromodel design permitted reasonably accurate control of the pore water velocity, so that the mass transfer coefficients could be correlated in terms of a local (pore-scale) Peclet number. A simple mathematical model, incorporating convection and diffusion in a slit geometry was developed and used successfully to predict the observed mass transfer rates. For the case of non-wetting NAPL ganglia, water flow through the corners in the pore walls was seen to control the rate of NAPL dissolution, as recently postulated by Dillard and Blunt [Water Resour. Res. 36 (2000) 439–454]. Break-up of doublet non-wetting phase ganglia into singlet ganglia by snap-off in pore throats was also observed, confirming the interplay between capillarity and mass transfer. Additionally, the effect of wettability on dissolution mass transfer was demonstrated. Under conditions of preferential NAPL wettability, mass transfer from NAPL films covering the solid surfaces was seen to control the dissolution process. Supply of NAPL from the trapped ganglia to these films by capillary flow along pore corners was observed to result in a sequence of pore drainage events that increase the interfacial area for mass transfer. These observations provide new experimental evidence for the role of capillarity, wettability and corner flow on NAPL ganglia dissolution.     

Slow gas expansion in saturated natural porous media by gas injection and partitioning with non-aqueous phase liquids

The partitioning of volatile non-aqueous phase liquid (NAPL) compounds to a discontinuous gas phase can result in the expansion of that gas phase, and the resulting gas flow can significantly affect the mass transfer from NAPL source zones. This recently reported gas flow generated by the spontaneous expansion of a discontinuous gas phase has not been extensively characterized in the literature. This study measured the expansion rate of a single gas cluster in a 1.1 mm sand above a pool of trans-1,2-dichloroethene (tDCE) in small-scale flow cell experiments. To characterize the gas flow, gas injection experiments in three sizes of sand were conducted at very slow injection rates typical of gas flow rates produced by gas expansion due to NAPL partitioning. Gas cluster spontaneous expansion rates above a tDCE pool were found to be 0.34 ± 0.02 and 0.29 ± 0.01 mL/day in duplicate experiments, which is sufficiently slow to result in discontinuous gas flow in porous media with a grain size diameter greater than 0.02 mm. Measured capillary pressures during gas injection showed patterns consistent with discontinuous gas flow, and identified multiple fragmentation events and expansion by coalescence with trapped clusters. The combination of pressure data and light transmission images were used to identify fragmentation and obtain direct measurements of the critical cluster length (i.e. the length at which withdrawal of the gas phase from a pore space occurs) in quasi-two-dimensional porous media for the first time. The measured critical cluster lengths were 1.4–3.6, 3.2–6.0 and 2.8–6.5 cm in 1.1, 0.7 and 0.5 mm sands, respectively. These values agreed well with estimates of the critical cluster length made using previously reported equations, and parameters derived from the medium’s capillary pressure-saturation relationship.     

Hydraulic displacement of dense nonaqueous phase liquids for source zone stabilization

Hydraulic displacement is a mass removal technology suitable for stabilization of a dense, nonaqueous phase liquid (DNAPL) source zone, where stabilization is defined as reducing DNAPL saturations and reducing the risk of future pool mobilization. High resolution three-dimensional multiphase flow simulations incorporating a spatially correlated, heterogeneous porous medium illustrate that hydraulic displacement results in an increase in the amount of residual DNAPL present, which in turn results in increased solute concentrations in groundwater, an increase in the rate of DNAPL dissolution, and an increase in the solute mass flux. A higher percentage of DNAPL recovery is associated with higher initial DNAPL release volumes, lower density DNAPLs, more heterogeneous porous media, and increased drawdown of groundwater at extraction wells. The fact that higher rates of recovery are associated with more heterogeneous porous media stems from the fact that larger contrasts in permeability provide for a higher proportion of capillary barriers upon which DNAPL pooling and lateral migration can occur. Across all scenarios evaluated in this study, the ganglia-to-pool (GTP) ratio generally increased from approximately 0.1 to between approximately 0.3 and 0.7 depending on the type of DNAPL, the degree of heterogeneity, and the imposed hydraulic gradient. The volume of DNAPL recovered as a result of implementing hydraulic displacement ranged from between 9.4% and 45.2% of the initial release volume, with the largest percentage recovery associated with 1,1,1 trichloroethane, the least dense of the three DNAPLs considered.     

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.     

Flow and entrapment of dense nonaqueous phase liquids in physically and chemically heterogeneous aquifer formations

The migration and entrapment of dense nonaqueous phase liquids (DNAPLs) in aquifer formations is typically believed to be controlled by physical heterogeneities. This belief is based upon the assumption that permeability and capillary properties are determined by the soil texture. Capillarity and relative permeability, however, will also depend on porous medium wettability characteristics. This wettability may vary spatially in a formation due to variations in aqueous phase chemistry, contaminant aging, and/or variations in mineralogy and organic matter distributions. In this work, a two-dimensional multiphase flow simulator is modified to simulate coupled physical and chemical formation heterogeneity. To model physical heterogeneity, a spatially correlated permeability field is generated, and then related to the capillary pressure-saturation function according to Leverett scaling. Spatial variability of porous medium wettability is assumed to be correlated with the natural logarithm of the intrinsic permeability. The influence of wettability on the hysteretic hydraulic property relations is also modeled. The simulator is then employed to investigate the potential influence of coupled physical and chemical heterogeneity on DNAPL flow and entrapment. For reasonable ranges of wettability characteristics, simulations demonstrate that spatial variations in wettability can have a dramatic impact on DNAPL distributions. Higher organic saturations, increased lateral spreading, and decreased depth of infiltration were predicted when the contact angle was varied spatially. When chemical heterogeneity was defined by spatial variation of organic-wet solid fractions (fractional wettability porous media), however, the resultant organic saturation distributions were more similar to those for perfectly water-wet media, due to saturation dependent wettability effects on the hydraulic property relations.     

Degradation kinetics of dense nonaqueous phase liquids in the environment under impacts of mixed white and colored noises

This study presents three stochastic dense nonaqueous phase liquid degradation kinetic models, forced by Gaussian white noise, Ornstein–Uhlenbeck colored noise and their mixture, respectively. Compared to the previous efforts, the proposed mixed-noise forced model is a more generalized representation of conventional stochastic models. This feature exists because any of the stochastic terms (no matter they come from the inside or out of the system) can be accounted for by a deterministic term and a type of colored, white, or mixed noise. The implicit in the model solutions include: the colored noise may lead to a misunderstanding results and much attention should be received to recognize the impact of colored noises; the decrease of noise intensity and/or increase of correlation time change the probability distribution functions from bimodal to approximate unimodal shapes, implying increased ease of capturing the statistical properties of model solutions; the introduction of a new colored noise may counteract the function of a white noise, thus providing us an alternative for mitigating the impact of a known noise on model solutions. The ongoing work is undertaken to develop an integrated numerical-simulation and statistical-inference method for the characterization of white and colored noises based on observation data.     

Evidence for polychlorinated biphenyls dechlorination in the sediments of Sado Estuary, Portugal

Sediment gravity cores and grab samples were collected in the Sado Estuary and in its coastal area. The cores were sliced on board and the percentage of weight loss on ignition was determined in the laboratory, and analysed for polychlorinated biphenyl (PCB) congeners. PCB contents were higher in samples from the North Channel of the estuary, nearby the industrial zone (max. 114 ng g-1 dry weight), while levels in the coastal area were lower than 4.9 ng g-1. The concentrations of the quantified congeners varied irregularly with sediment depth in the estuary, but showed two opposite distribution patterns in cores from the coastal area: the proportions of lower chlorinated congeners increased with depth, while congeners with higher number of chlorines decreased. This suggests a dechlorination of the most chlorinated congeners into less toxic compounds, under reductive conditions of the sediment. Though measurements were done in natural environment it appears that dechlorination was not entirely dependent on chlorine position in the phenyl rings.     

基于深度学习震相拾取和密集台阵数据构建青海玛多Ms7.4地震震源区高分辨率地震目录

高分辨率地震目录有助于描绘断层的精细结构和认识发震断裂的构造形态及发震机制.基于玛多地震科考布设的短周期台阵数据,本文利用深度学习自动拾取P/S波震相、震相关联、绝对定位、相对定位等定位流程,构建了玛多Ms7.4地震后第14天至第43天的高分辨率地震目录,揭示了玛多震源区主震西侧以及主震向东20 km区域范围内的地震序...     

Investigation of turbulence characteristics in channel with dense vegetation

In this experimental study,the turbulent flow in a channel with vegetation by using sprouts of wheat on channel bed was investigated.Two different aspect ratios of channel were used.An Acoustic Doppler Velocimetry was used to measure parameters of turbulent flow over submerged sprouts of wheat,such as velocity profiles.The log law and the Reynolds shear stress distribution were applied. Results indicate that the position of the maximum turbulence intensity superposes on the inflection point situated over the top of submerged vegetation cover.Quadrant analysis shows that near the vegetation bed,the sweeps and ejections appear to be the most dominant phenomenon,while far from the vegetated bed,the outward is dominant event.Results also show that the aspect ratio plays an important role on the contribution of the different bursting events for Reynolds stress determination.     

Model studies of dense water overflows in the Faroese Channels

The overflow of dense water from the Nordic Seas through the Faroese Channel system was investigated through combined laboratory experiments and numerical simulations using the Massachusetts Institute of Technology General Circulation Model. In the experimental study, a scaled, topographic representation of the Faroe-Shetland Channel, Wyville-Thomson Basin and Ridge and Faroe Bank Channel seabed bathymetry was constructed and mounted in a rotating tank. A series of parametric experiments was conducted using dye-tracing and drogue-tracking techniques to investigate deep-water overflow pathways and circulation patterns within the modelled region. In addition, the structure of the outflowing dense bottom water was investigated through density profiling along three cross-channel transects located in the Wyville-Thomson Basin and the converging, up-sloping approach to the Faroe Bank Channel. Results from the dye-tracing studies demonstrate a range of parametric conditions under which dense water overflow across the Wyville-Thomson Ridge is shown to occur, as defined by the Burger number, a non-dimensional length ratio and a dimensionless dense water volume flux parameter specified at the Faroe-Shetland Channel inlet boundary. Drogue-tracking measurements reveal the complex nature of flow paths and circulations generated in the modelled topography, particularly the development of a large anti-cyclonic gyre in the Wyville-Thompson Basin and up-sloping approach to the Faroe Bank Channel, which diverts the dense water outflow from the Faroese shelf towards the Wyville-Thomson Ridge, potentially promoting dense water spillage across the ridge itself. The presence of this circulation is also indicated by associated undulations in density isopycnals across the Wyville-Thomson Basin. Numerical simulations of parametric test cases for the main outflow pathways and density structure in a similarly-scaled Faroese Channels model domain indicate excellent qualitative agreement with the experimental observations and measurements. In addition, the comparisons show that strong temporal variability in the predicted outflow pathways and circulations have a strong influence in regulating the Faroe Bank Channel and Wyville-Thomson Ridge overflows, as well as in determining the overall response in the Faroese Channels to changes in the Faroe-Shetland Channel inlet boundary conditions.     

Modeling in paleoceanography

The two last decades of research in paleoceanography are characterized by extensive data collection and by the development of numerous hypotheses based on these data. Both the nature of the thermohaline circulation and the nature of the surface circulation during past times are currently being debated. Physical models of the ocean circulation are beginning to play an important role in these debates. The models range from highly simplified mathematical representations intended to illustrate physical principles to three-dimensional time-dependent global models intended to simulate temperature, salinity and flow fields. At the very least such models can be applied to explore the limitations or appropriateness of various assumptions in paleoceanography. At the very best, paleoceanographic data may be used as a verification of simulations of past oceans.     

Transport and fate of nonaqueous phase liquid (NAPL) in variably saturated porous media with evolving scales of heterogeneity

 A stochastic simulation is performed to study multiphase flow and contaminant transport in fractal porous media with evolving scales of heterogeneity. Numerical simulations of residual NAPL mass transfer and subsequent transport of dissolved and/or volatilized NAPL mass in variably saturated media are carried out in conjunction with Monte Carlo techniques. The impact of fractal dimension, plume scale and anisotropy (stratification) of fractal media on relative dispersivities is investigated and discussed. The results indicate the significance of evolving scale of porous media heterogeneity to the NAPL transport in the subsurface. In general, the fractal porous media enhance the dispersivities of NAPL mass plume transport in both the water phase and the gas phase while the influence on the water phase is more significant. The porous media with larger fractal dimension have larger relative dispersivities. The aqueous horizontal dispersivity exhibits a most significant increase against the plume scale.     

Model simulations of dense bottom currents in the Western Baltic Sea

Only recently, medium intensity inflow events into the Baltic Sea have gained more awareness because of their potential to ventilate intermediate layers in the Southern Baltic Sea basins. With the present high-resolution model study of the Western Baltic Sea a first attempt is made to obtain model based realistic estimates of turbulent mixing in this area where dense bottom currents resulting from medium intensity inflow events are weakened by turbulent entrainment. The numerical model simulation which is carried out using the General Estuarine Transport Model (GETM) during nine months in 2003 and 2004 is first validated by means of three automatic stations at the Drogden and Darss Sills and in the Arkona Sea. In order to obtain good agreement between observations and model results, the 0.5×0.5$0.5\times 0.5$ nautical mile bathymetry had to be adjusted in order to account for the fact that even at that scale many relevant topographic features are not resolved. Current velocity, salinity and turbulence observations during a medium intensity inflow event through the Øresund are then compared to the model results. Given the general problems of point to point comparisons between observations and model simulations, the agreement is fairly good with the characteristic features of the inflow event well represented by the model simulations. Two different bulk measures for mixing activity are then introduced, the vertically integrated decay of salinity variance, which is equal to the production of micro-scale salinity variance, and the vertically integrated turbulent salt flux, which is related to an increase of potential energy due to vertical mixing of stably stratified flow. Both measures give qualitatively similar results and identify the Drogden and Darss Sills as well as the Bornholm Channel as mixing hot spots. Further regions of strong mixing are the dense bottom current pathways from these sills into the Arkona Sea, areas around Kriegers Flak (a shoal in the western Arkona Sea) and north–west of the island of Rügen.