Transit times through hydrologic systems vary in time, but the nature of that variability is not well understood. Transit times variability was investigated in a 1 m(3) sloping lysimeter, representing a simplified model of a hillslope receiving periodic rainfall events for 28 days. Tracer tests were conducted using an experimental protocol that allows time-variable transit time distributions (TTDs) to be calculated from data. Observed TTDs varied with the storage state of the system, and the history of inflows and outflows. We propose that the observed time variability of the TTDs can be decomposed into two parts: internal variability associated with changes in the arrangement of, and partitioning between, flow pathways; and external variability driven by fluctuations in the flow rate along all flow pathways. These concepts can be defined quantitatively in terms of rank StorAge Selection (rSAS) functions, which is a theory describing lumped transport dynamics. Internal variability is associated with temporal variability in the rSAS function, while external is not. The rSAS function variability was characterized by an inverse storage effect, whereby younger water is released in greater proportion under wetter conditions than drier. We hypothesize that this effect is caused by the rapid mobilization of water in the unsaturated zone by the rising water table. Common approximations used to model transport dynamics that neglect internal variability were unable to reproduce the observed breakthrough curves accurately. This suggests that internal variability can play an important role in hydrologic transport dynamics, with implications for field data interpretation and modeling.

This study focuses on numerical modeling of fluid flow and solute transport in rough-walled rock fractures and fracture-matrix systems, with the main aim to investigate the impacts of fracture surface roughness on flow and transport processes in rock fractures. Both 2D and 3D fracture models were built from laser-scanned surface tomography of a real granite rock sample, to consider realistic features of surface tomography and potential asperity contacts. The flow was simulated by directly solving the Navier-Stokes equations (NSE) and the transport was modeled by solving the advection-dispersion equation (ADE) in the entire domain of fracture-matrix system, including matrix diffusion process. Such direct simulations provided detailed flow and concentration fields for quantitatively analysis of flow and transport behavior. The detailed analysis of surface roughness decomposition, complex flow patterns (i.e., channeling, transverse and eddy flows), effective advective flow apertures, effective transmissivity, effective dispersivity, residence time, transport resistance and specific surface area demonstrated significant impacts of realistic fracture surface roughness on fluid flow and solute transport processes in rock fractures. The results show that the surface roughness and shear displacement caused asperity contacts significantly enhance nonlinearity and complexity of flow and transport processes in rough-walled fractures and fracture-matrix systems. The surface roughness also causes invasion flows in intersected fractures which enhance solute mixing at fracture intersections. Therefore, the fracture surface roughness is an important source of uncertainty in application of such simplified models like cubic law (CL) for fluid flow and analytical solutions for solute transport in rock fractures. The research conducted advances our understanding of realistic flow and transport processes in natural fractured rocks. The results are useful for model validation/extension, uncertainty analysis/quantification and laboratory experiments design in the context of various applications related to fracture flow and transport. / Denna studie fokuserar på numerisk modellering av vätskeflöde och transport av lösta ämnen i frakturer med ojämna väggar samt fraktur-matrissystem, med det huvudsakliga syftet att undersöka effekterna av frakturernas ytjämnhet på flödes- och transportprocesser i bergsfrakturer. Både 2D och 3D modeller skapades utifrån laser skannad tomografi av ett verkligt bergartsprov av granit, för att överväga de realistiska egenskaperna hos ytan och potentiell skrovlighet. Flödet simulerades genom att lösa Navier-Stokes ekvationer (NSE) och transporten modellerades genom att lösa advektion-dispersion ekvation (ADE) i hela domänen av fraktur-matrissystemet, inklusive diffusions process i matrisen. Sådana direkta simuleringar resulterade i detaljerade flödes- och koncentrationsfält för att kvantitativt kunna analysera flödet och transportbeteendet. En detaljerad analys av upplösningen av ytjämnhet, komplexa flödesmönster (dvs kanalisering, tvärgående och virvelströmmar), effektiv advektiv flödesöppning, effektiv transmissivitet, effektiv dispersivitet, uppehållstid, transport motstånd och specifik yta visade signifikanta effekter av realistiska ojämna frakturväggar på vätskeflöde och lösta transportprocesser i bergssprickor. Resultaten visar att ytjämnhet och skjuvningssystemsorsakade asperitetskontakter avsevärt förbättrar olinjäritet och komplexitet av flödes- och transportprocesser i frakturer med ojämna väggar samt fraktur-matrissystem. Ytråheten orsakar också intrång av flöde i tvärgående frakturer vilket ökar blandingen av lösta ämnen i korsningarna. Därför är ytjämnhet av frakturerna en viktig källa till osäkerhet i tillämpningen av sådana förenklade modeller som kubisk lag (CL) för vätskeflöde och analytiska lösningar för transport av lösta ämnen i bergsfrakturer. Studien har ökat förståelsen för realistiska flödes- och transportprocesser i naturligt sprucket berg. Resultaten är användbara för modellvalidering/förlängning, osäkerhetsanalys/kvantifiering och design av laboratorieexperiment i samband med olika tillämpningar av flöde och transport i bergsfrakturer. / <p>QC 20161010</p>

A modification in an existing water uptake and solute transport numerical model was implemented in order to allow the model to simulate solute uptake by the roots. The convection-dispersion equation (CDE) was solved numerically, using a complete implicit scheme, considering a transient state for water and solute fluxes and a soil solute concentration dependent boundary for the uptake at the root surface, based on the Michaelis- Menten (MM) equation. Additionally, a linear approximation was developed for the MM equation such that the CDE has a linear and a non-linear solution. A radial geometry was assumed, considering a single root with its surface acting as the uptake boundary and the outer boundary being the half distance between neighboring roots, a function of root density. The proposed solute transport model includes active and passive solute uptake and predicts solute concentration as a function of time and distance from the root surface. It also estimates the relative transpiration of the plant, on its turn directly affecting water and solute uptake and related to water and osmotic stress status of the plant. Performed simulations show that the linear and non-linear solutions result in significantly different solute uptake predictions when the soil solute concentration is below a limiting value (Clim). This reduction in uptake at low concentrations may result in a further reduction in the relative transpiration. The contributions of active and passive uptake vary with parameters related to the ion species, the plant, the atmosphere and the soil hydraulic properties. The model showed a good agreement with an analytical model that uses a linear concentration dependent equation as boundary condition for uptake at the root surface. The advantage of the numerical model is it allows simulation of transient solute and water uptake and, therefore, can be used in a wider range of situations. Simulation with different scenarios and comparison with experimental results are needed to verify model performance and possibly suggest improvements. / Uma modificação em um modelo existente de extração de água e transporte de solutos foi realizada com o objetivo de incluir nele a possibilidade de simular a extração de soluto pelas raízes. Uma solução numérica para a equação de convecção-dispersão (ECD), que utiliza um esquema de resolução completamente implícito, foi elaborada e considera o fluxo transiente de água e solutos com uma condição de contorno à superfície da raiz de extração de soluto dependente de sua concentração no solo, baseada na equação de Michaelis- Menten (MM). Uma aproximação linear para a equação de MM foi implementada de tal forma que a ECD tem uma solução linear e outra não-linear. O modelo considera uma raiz singular com geometria radial sendo sua superfície a condição de contorno (limite) de extração e sendo o limite extremo a meia-distância entre raízes vizinhas, função da densidade radicular. O modelo de transporte de soluto proposto inclui extração de soluto ativa e passiva e prediz a concentração de soluto como uma função do tempo e da distância à superfície da raiz, além de estimar a transpiração relativa da planta, que por sua vez afeta a extração de água e solutos e é relacionado com a condição de estresse da planta. Simulações mostram que as soluções linear e não-linear resultam em predições de extração de solutos significativamente diferentes quando a concentração de solutos no solo está abaixo de um valor limitante (Clim). A redução da extração em baixas concentrações pode resultar em uma redução adicional na transpiração relativa. As contribuições ativa e passiva da extração de solutos variam com parâmetros relacionados à espécie de íon, à planta, à atmosfera e às propriedades hidráulicas do solo. O modelo apresentou uma boa concordância com um modelo analítico que aplica uma condição de contorno linear, à superfície da raiz, de extração de solutos dependente da concentração no solo. A vantagem do modelo numérico sobre o analítico é que ele permite simular fluxos transientes de água e solutos, sendo, portanto, possível simular uma maior gama de situações. Se faz necessário simulações com diferentes cenários e comparações com dados experimentais para se verificar a performance do modelo e, possivelmente, sugerir melhorias.

Saline water evaporation from porous media with the associated salt precipitation patterns is frequently observed in a number of industrial and environmental applications and it is important in a variety of topics including, but not limited to, water balance and land-atmosphere interaction, terrestrial ecosystem functioning, geological carbon storage, and preservation of historical monuments. The excess accumulation of salt in soil is a global problem and is one of the most widespread soil degradation processes. Thus, it is important to understand the dominant mechanisms controlling saline water evaporation from porous media. This process is controlled by the transport properties of the porous medium, the external conditions, and the properties of the evaporating fluid. During saline water evaporation from porous media, the capillary induced liquid flow transports the solute towards the evaporation surface while diffusive transport tends to spread the salt homogeneously thorough the porous medium. Therefore, the solute distribution is influenced by the competition between the diffusive and convective transport. As water evaporates, salt concentration in the pore space increases continually until it precipitates. The formation of precipitated salt adds to the complexity of the description of saline water evaporation from porous media. In this dissertation, the effects of salt concentration, type of salt, and the presence of precipitated salt, on the evaporation dynamics have been investigated. The obtained results show that the precipitated salt has a porous structure and it evolves as the drying progresses. The presence of porous precipitated salt at the surface causes top-supplied creeping of the evaporating solution, feeding the growth of subsequent crystals. This could be visualized by thermal imaging in the form of appearance and disappearance of cold-spots on the surface of the porous medium, brought about by preferential water evaporation through the salt crust. My results show that such a phenomenon influences the dynamics of saline water evaporation from porous media. Moreover, a simple but effective tool was developed in this dissertation capable of describing the effects of ambient temperature, relative humidity, type of salt and its concentration, on the evaporative fluxes. Additionally, pore-scale data obtained by synchrotron x-ray tomography was used to study ion transport during saline water evaporation from porous media in 4D (3D space + time). Using iodine K-edge dual energy imaging, the ion concentration at pore scale with a high temporal and spatial resolution could be quantified. This enabled us to reveal the mechanisms controlling solute transport during saline water evaporation from porous media and extend the corresponding physical understanding of this process. Within this context, the effects of particle size distribution on the dispersion coefficient were investigated together with the evolution of the dispersion coefficient as the evaporation process progresses. The results reported in this dissertation shed new insight on the physics of saline water evaporation from porous media and its complex dynamics. The results of this dissertation have been published in 3 peer-reviewed journal papers together with one additional manuscript which is currently under review.

I studied nine streams near Grand Teton National Park, Wyoming, covering a land use gradient (urban, agricultural, and forested) to assess influences of land use on denitrification rates and hyporheic exchange. I hypothesized denitrification in the hyporheic zone is governed by availability of chemical substrates and hydrologic transport. I tested this hypothesis by coupling measurements of denitrification potentials in hyporheic sediments with a 2-storage zone solute transport model. Denitrification potentials were lowest on average in hyporheic sediments from forested streams and highest from agricultural streams. Modeling results suggest, on average, agricultural sites are transport-limited by having the slowest exchange rate with hyporheic zone and longest transport before entering storage. Land use influences the capacity for hyporheic denitrification in two ways 1) agricultural and urban practices supply substrates that build the microbial potential for denitrification and 2) agricultural and urban activities alter channel form and substrates, limiting hyporheic exchange.

The classical Fickian model for solute transport in porous media cannot correctly predict the spreading (the dispersion) of contaminant plumes in a heterogeneous subsoil unless its structure is completely characterized. Although the required precision is outside the reach of current field characterization methods, the classical Fickian model remains the most widely used model among practitioners. Two approaches can be adopted to solve the effect of physical heterogeneity on transport. First, upscaling methods allow one to compute “apparent” scale-dependent parameters to be used in the classical Fickian model. In the second approach, upscaled (non-Fickian) transport equations with scale-independent parameters are used. This research aims at comparing upscaling methods for Fickian transport parameters with non-Fickian upscaled transport equations, and evaluate their capabilities to predict solute transport in heterogeneous media. The models were tested using simplified numerical examples (perfectly stratified aquifers and bidimensional heterogeneous media). Hypothetical lognormal permeability fields were investigated, for different values of variance, correlation length and anisotropy ratio. Examples exhibiting discrete and multimodal permeability distributions were also investigated using both numerical examples and a physical laboratory experiment. It was found that non-Fickian transport equations involving fractional derivatives have higher upscaling capabilities regarding the prediction of contaminant plume migration and spreading, although their key parameters can only be inferred from inverse modelling of test data.

Low back pain represents a significant concern in the United States, with 70% of individuals experiencing symptoms at some point in their lifetime. Although the specific cause of low back pain remains unclear, symptoms have been strongly associated with degeneration of the intervertebral disc. Insufficient nutritional supply to the disc is believed to be a major mechanism for tissue degeneration. Understanding nutrients' transport in intervertebral disc is crucial to elucidate the mechanisms of disc degeneration, and to develop strategies for tissue repair (in vivo), and tissue engineering (in vitro). Transport in intervertebral disc is complex and involves a series of electromechanical, chemical and biological coupled events. Despite of the large amount of studies performed in the past, transport phenomena in the disc are still poorly understood. This is partly due to the limited number of available experimental techniques for investigating transport properties, and the paucity of theoretical or numerical methods for systematically predicting the mechanisms of solute transport in intervertebral disc. In this dissertation, a theoretical and experimental approach was taken in order to investigate the mechanisms of solute transport and binding interactions in intervertebral disc. New imaging techniques were developed for the experimental determination of diffusive and binding parameters in biological tissues. The techniques are based on the principle of fluorescence recovery after photobleaching, and allow the determination of the anisotropic diffusion tensor, and the rates of binding and unbinding of a solute to the extracellular matrix of a biological tissue. When applied to the characterization of transport properties of intervertebral disc, these methods allowed the establishment of a relationship between solute anisotropic and inhomogeneous diffusivity and the unique morphology of human lumbar annulus fibrosus. A mixture theory for charged hydrated soft tissues was presented as a framework for theoretical investigations on solute transport and binding interactions in cartilaginous tissues. Based on this theoretical framework and on experimental observations, a finite element model was developed to predict solute diffusive-convective-reactive transport in cartilaginous tissues. The numerical model was applied to simulate the effect of mechanical loading on solute transport and binding interactions in cartilage explants and intervertebral disc.

Rain fall-runoff response in temperate humid headwater catchments is mainly controlled by hydrolo gical processes at the hillslope scale. Applied tracer experiments with fluore scent dye and salt tracers are well known tools in groundwater studies at the large scale and vadose zone studies at the plot scale, where they provide a means to characterise subsurface flow. We extend this approach to the hillslope scale to investigate saturated and unsaturated flow path s concertedly at a forested hill slope in the Austrian Alps. Dye staining experiments at the plot scale revealed that crack s and soil pipe s function as preferential flow path s in the fine-textured soils of the study area, and these preferenti al flow structures were active in fast subsurface transport of tracers at the hillslope scale. Breakthrough curves obtained under steady flow conditions could be fitted well to a one-dimensional convection-dispersion model. Under natural rain fall a positive correlation of tracer concentrations to the transient flows was observed. The results of this study demon strate qualitative and quantitative effects of preferential flow feature s on subsurface stormflow in a temperate humid headwater catchment. It turn s out that / at the hill slope scale, the interaction s of structures and processes are intrinsically complex, which implies that attempts to model such a hillslope satisfactorily require detailed investigation s of effective structures and parameters at the scale of interest.

Local displacement efficiency in miscible floods is significantly affected by mixing taking place in the medium. Laboratory experiments usually measure flow-averaged ("cup mixed") effluent concentration histories. The core-scale averaged mixing, termed as dispersion, is used to quantify mixing in flow through porous media. The dispersion coefficient has the contributions of convective spreading and diffusion lumped together. Despite decades of research there remain questions about the nature and origin of dispersion. The main objective of this research is to understand the basic physics of solute transport and mixing at the pore scale and to use this information to explain core-scale mixing behavior (dispersion). We use two different approaches to study the interaction between convective spreading and diffusion for a range of flow conditions and the influence of their interaction on dispersion. In the first approach, we perform a direct numerical simulation of pore scale solute transport (by solving the Navier Stokes and convection diffusion equations) in a surrogate pore space. The second approach tracks movement of solute particles through a network model that is physically representative of real granular material. The first approach is useful in direct visualization of mixing in pore space whereas the second approach helps quantify the effect of pore scale process on core scale mixing (dispersion). Mixing in porous media results from interaction between convective spreading and molecular diffusion. The converging-diverging flow around sand grains causes the solute front to stretch, split and rejoin. In this process the area of contact between regions of high and low solute concentrations increases by an order of magnitude. Diffusion tends to reduce local variations in solute concentration inside the pore body. If the fluid velocity is small, diffusion is able to homogenize the solute concentration inside each pore. On the other hand, in the limit of very large fluid velocity (or no diffusion) local mixing because of diffusion tends to zero and dispersion is entirely caused by convective spreading. Flow reversal provides insights about mixing mechanisms in flow through porous media. For purely convective transport, upon flow reversal solute particles retrace their path to the inlet. Convective spreading cancels and echo dispersion is zero. Diffusion, even though small in magnitude, causes local mixing and makes dispersion in porous media irreversible. Echo dispersion in porous media is far greater than diffusion and as large as forward (transmission) dispersion. In the second approach, we study dispersion in porous media by tracking movement of a swarm of solute particles through a physically representative network model. We developed deterministic rules to trace paths of solute particles through the network. These rules yield flow streamlines through the network comparable to those obtained from a full solution of Stokes' equation. In the absence of diffusion the paths of all solute particles are completely determined and reversible. We track the movement of solute particles on these paths to investigate dispersion caused by purely convective spreading at the pore scale. Then we superimpose diffusion and study its influence on dispersion. In this way we obtain for the first time an unequivocal assessment of the roles of convective spreading and diffusion in hydrodynamic dispersion through porous media. Alternative particle tracking algorithms that use a probabilistic choice of an out-flowing throat at a pore fail to quantify convective spreading accurately. For Fickian behavior of dispersion it is essential that all solute particles encounter a wide range of independent (and identically distributed) velocities. If plug flow occurs in the pore throats a solute particle can encounter a wide range of independent velocities because of velocity differences in pore throats and randomness of pore structure. Plug flow leads to a purely convective spreading that is asymptotically Fickian. Diffusion superimposed on plug flow acts independently of convective spreading causing dispersion to be simply the sum of convective spreading and diffusion. In plug flow hydrodynamic dispersion varies linearly with the pore-scale Peclet number. For a more realistic parabolic velocity profile in pore throats particles near the solid surface of the medium do not have independent velocities. Now purely convective spreading is non-Fickian. When diffusion is non-zero, solute particles can move away from the low velocity region near the solid surface into the main flow stream and subsequently dispersion again becomes asymptotically Fickian. Now dispersion is the result of an interaction between convection and diffusion and it results in a weak nonlinear dependence of dispersion on Peclet number. The dispersion coefficients predicted by particle tracking through the network are in excellent agreement with the literature experimental data. We conclude that the essential phenomena giving rise to hydrodynamic dispersion observed in porous media are (i) stream splitting of the solute front at every pore, thus causing independence of particle velocities purely by convection, (ii) a velocity gradient within throats and (iii) diffusion. Taylor's dispersion in a capillary tube accounts for only the second and third of these phenomena, yielding a quadratic dependence of dispersion on Peclet number. Plug flow in the bonds of a physically representative network accounts for the only the first and third phenomena, resulting in a linear dependence of dispersion upon Peclet number. / text

No description available.