The state of the art of modeling fluid flow in shale gas reservoirs is dominated by dual porosity models that divide the reservoirs into matrix blocks that significantly contribute to fluid storage and fracture networks which principally control flow capacity. However, recent extensive microscopic studies reveal that there exist massive micro- and nano- pore systems in shale matrices. Because of this, the actual flow mechanisms in shale reservoirs are considerably more complex than can be simulated by the conventional dual porosity models and Darcy’s Law. Therefore, a model capturing multiple pore scales and flow can provide a better understanding of complex flow mechanisms occurring in these reservoirs. Through the use of a unique simulator, this research work establishes a micro-scale multiple-porosity model for fluid flow in shale reservoirs by capturing the dynamics occurring in three separate porosity systems: organic matter (mainly kerogen); inorganic matter; and natural fractures. Inorganic and organic portions of shale matrix are treated as sub-blocks with different attributes, such as wettability and pore structures. In the organic matter or kerogen, gas desorption and diffusion are the dominant physics. Since the flow regimes are sensitive to pore size, the effects of smaller pores (mainly nanopores and picopores) and larger pores (mainly micropores and nanopores) in kerogen are incorporated in the simulator. The separate inorganic sub-blocks mainly contribute to the ability to better model dynamic water behavior. The multiple porosity model is built upon a unique tool for simulating general multiple porosity systems in which several porosity systems may be tied to each other through arbitrary transfer functions and connectivities. This new model will allow us to better understand complex flow mechanisms and in turn to extend simulation to the reservoir scale including hydraulic fractures through upscaling techniques

Tight gas reservoirs provide almost one quarter of the current U.S. domestic gas production, with significant projected increases in the next several decades in both the U.S. and abroad. These reservoirs constitute an important play type, with opportunities for improved reservoir simulation & management, such as simulation model design, well placement. Our work develops robust and efficient strategies for improved tight gas reservoir simulation and management. Reservoir simulation models are usually acquired by upscaling the detailed 3D geologic models. Earlier studies of flow simulation have developed layer-based coarse reservoir simulation models, from the more detailed 3D geologic models. However, the layer-based approach cannot capture the essential sand and flow. We introduce and utilize the diffusive time of flight to understand the pressure continuity within the fluvial sands, and develop novel adaptive reservoir simulation grids to preserve the continuity of the reservoir sands. Combined with the high resolution transmissibility based upscaling of flow properties, and well index based upscaling of the well connections, we can build accurate simulation models with at least one order magnitude simulation speed up, but the predicted recoveries are almost indistinguishable from those of the geologic models. General practice of well placement usually requires reservoir simulation to predict the dynamic reservoir response. Numerous well placement scenarios require many reservoir simulation runs, which may have significant CPU demands. We propose a novel simulation-free screening approach to generate a quality map, based on a combination of static and dynamic reservoir properties. The geologic uncertainty is taken into consideration through an uncertainty map form the spatial connectivity analysis and variograms. Combining the quality map and uncertainty map, good infill well locations and drilling sequence can be determined for improved reservoir management. We apply this workflow to design the infill well drilling sequence and explore the impact of subsurface also, for a large-scale tight gas reservoir. Also, we evaluated an improved pressure approximation method, through the comparison with the leading order high frequency term of the asymptotic solution. The proposed pressure solution can better predict the heterogeneous reservoir depletion behavior, thus provide good opportunities for tight gas reservoir management.

This dissertation focuses on understanding the complex interactions between hydrological and geochemical processes, and specifically how these interactions are affected by subsurface heterogeneity across scales. Heterogeneity in the form of macropores and fractures provide preferential flowpaths and affect contaminant transport. Biogeochemical processes are also strongly affected by such heterogeneities. Any lithological layering or interface (e.g. plume fringe, wetland-aquifer boundary, etc.) increases biogeochemical activity around that interface. Hydrologic conditions, rainfall events, drainage patterns, and pH variations are also dominant controls on redox processes and thereby affect contaminant distribution and migration. An inherent limitation of modeling fate and transport of contaminants in the subsurface is that the interactions among biogeochemical processes are complex and non-linear. Therefore, this research investigates the effect of hydrological variations and physical heterogeneity on coupled biogeochemical processes across column and landfill scales. Structural heterogeneity in the form of macropore distributions (no macropore, single macropore, and multiple macropores) in experimental soil columns is investigated to accurately model preferential flow and tracer transport. This research is crucial to agricultural systems where soil and crop management practices modify soil structure and alter macropore densities. The comparison between deterministic and stochastic approaches for simulating preferential flow improved the characterization of interface parameters of the dual permeability model, and outlined the need for efficient sampling algorithms or additional datasets to yield unique (equifinal) soil hydraulic parameters. To evaluate the effect of heterogeneity on redox processes, repacked soil columns with homogeneous and heterogeneous (layered) profiles from soil cores collected at the Norman Landfill site, Oklahoma, USA were employed. Results indicate that heterogeneity in the form of textural layering is paramount in controlling redox processes in the layered column. To evaluate the effect of hydrologic conditions on redox processes, temporal data at the Norman landfill site was used. Results indicate that seasonal hydrologic variations exert dominant control over redox-sensitive concentrations. An integrated MCMC algorithm was devised to upscale linked biogeochemical processes from the column to the field scale. Results indicate that heterogeneity and hydrologic processes are paramount in controlling effective redox concentrations at the Norman landfill site.

Le diamant monocristallin est un candidat prometteur pour les applications en électronique de puissance et l'hétéroépitaxie est une alternative crédible à la synthèse de ce matériau. Lors de ce travail de thèse, chacune des étapes de la synthèse de films de diamant hétéroépitaxié sur des pseudo-substrats de Ir/SrTiO₃/Si(001) a été finement étudiée afin de progresser dans la reproductibilité et la qualité cristalline de ces films. Ainsi, un système de réflectométrie laser a été installé sur le bâti d'épitaxie d'iridium afin de caractériser in situ l'épaisseur des films réalisés. Une nouvelle méthode basée sur traitement plasma permettant la recristallisation de l'iridium à des températures comprises entre 800°C et 900°C a été mise au point et brevetée. Ensuite, une caractérisation de la surface de l'iridium après l'étape de nucléation du diamant (BEN) par ellipsométrie spectroscopique a été réalisée en bâtissant un modèle ellipsométrique à partir d'une étude séquentielle en MEB, AFM et XPS. Cette étude démontre que l’ellipsométrie est sensible à la formation des domaines qui contiennent les cristaux de diamant épitaxiés. L'étape de nucléation a été étendue à des pseudo-substrats Ir/SrTiO₃/Si(001) de 10x10 mm². Une stratégie d'épaississement des films de diamant reposant sur deux étapes a été adoptée. La structure cristalline des films épaissis à plusieurs centaines de microns a été caractérisée par DRX et Raman. Des diodes Schottky latérales ont été fabriquées sur l'un des substrats épaissis. Les mesures électriques réalisées démontrent l'homogénéité du substrat de diamant hétéroépitaxié. Afin de mieux contrôler les premiers stades de la croissance, une nouvelle méthode de nucléation sélective a été mise au point et brevetée. Son application permettrait dans l'avenir d'obtenir une croissance latérale (ELO) dès la coalescence des premiers cristaux de diamant. / Single crystal diamond is a promising candidate for power electronics applications and heteroepitaxy is a credible alternative for the synthesis of this material. During this PhD, each step from the synthesis of heteroepitaxial diamond films on Ir/SrTiO₃/Si(001) pseudo-substrates was studied in details to progress in the reproducibility and the crystalline quality of films. Thus, a laser reflectometry system was installed on the iridium epitaxy reactor to characterize in situ the thickness of these films. A new approach based on plasma treatment leading to the iridium recrystallization at temperatures between 800°C and 900°C was developed and patented. Then, a characterization of the iridium surface after diamond nucleation (BEN) by spectroscopic ellipsometry was done by building an ellipsometric model based on a sequential study by SEM, AFM and XPS. Results demonstrate that ellipsometry is sensitive to the formation of domains including epitaxial diamond crystals. The nucleation step was extented to Ir/SrTiO₃/Si(001) pseudo-substrates with a size of 10x10 mm². A strategy for the thickening of diamond films based on two steps was adopted. The crystalline structure of films, few hundreds of microns thick, was characterized by XRD and Raman. Lateral Schottky diodes were built on one of the thick substrates. Electrical measurements demonstrate the homogeneity of the heteroepitaxial diamond substrate. To better control the growth early stages, a new method of selective nucleation was developed and patented. Its application in the future would make possible a lateral growth (ELO) from the coalescence of the first diamond crystals.

No description available.

Les mécanismes responsables du transport hydrodynamique anormal (non-Fickéen) peuvent être rattachés à la complexité de la géométrie du milieu à l'échelle des pores. Dans cette thèse, nous étudions la dynamique des vitesses de particules à l'échelle des pores. À l'aide de simulations de suivi de particules effectuées sur un échantillon numérisé de grès de Berea, nous présentons une analyse détaillée de l'évolution Lagrangienne et Eulérienne et de leur dépendance aux conditions initiales. Le long de leur ligne de courant, la vitesse des particules montre un signal intermittent complexe, alors que leur sériede vitesses spatiales présente des fluctuations régulières. La distribution spatiale des vitesses des particules converge rapidementvers l'état stationnaire. Ces résultats dénotent un processus Markovienqui permet de prédire les fluctuations de vitesse dans le réseau poral.Ces processus, associés à la tortuosité et à la distance de corrélation de vitesse permettent de paramétrer un modèle de marche aléatoire dans le temps (CTRW) et de réaliser le changement d’échelle pour simuler le transport à l’échelle de Darcy. Le modèle, comme tout modèle issu d’un changement d'échelle, repose sur la définition d'un volume élémentaire représentatif (VER). Nous montrons qu’un VER basé sur les statistiques de vitesse permet de définir un support pertinent pour la modélisation du transport hydrodynamique pré-asymptotique à asymptotique, et ainsi d’éviter les limitations associées à l’équation d’advection-dispersionFickéenne. Cette approche est utilisée pour étudier l’impact de l’hétérogénéité du réseau poral sur le volume de mélange et la masse du produit d’une réaction bimoléculaire. / The mechanisms responsible for anomalous (non-Fickian) hydrodynamictransport can be traced back to the complexity of the medium geometry atthe pore-scale. In this thesis, we investigate the dynamics of pore-scaleparticle velocities. Using particle tracking simulations performed on adigitized Berea sandstone sample, we present a detailed analysis of theevolution of the Lagrangian and Eulerian evolution and their dependenceon the initial conditions. The particles experience a complexintermittent temporal velocity signal along their streamline while theirspatial velocity series exhibit regular fluctuations. The spatialvelocity distribution of the particles converges quickly to thesteady-state. These results lead naturally to Markov processes for theprediction of these velocity series.These processes, together with the tortuosity and the velocitycorrelation distance that are properties of the medium, allow theparameterization of a continuous time random walk (CTRW) for theupscaling of the transport. The model, like any upscaled model, relieson the definition of a representative elementary volume (REV). We showthat an REV based on the velocity statistics allows defining a pertinentsupport for modeling pre-asymptotic to asymptotic hydrodynamictransport at Darcy scale using, for instance, CTRW, thus overcomingthe limitations associated with the Fickian advection dispersionequation. Finally, we investigate the impact of pore-scale heterogeneityon a bimolecular reaction and explore a methodology for the predictionof the mixing volume and the chemical mass produced.

Das Fraunhofer IPT untersucht verschiedene Umformverfahren für das Formen metallischer Bipolarplatten wie das Streckziehen, Rubberforming und Hydroforming. Verschiedene Edelstähle wie 1.4301 und 1.4404 sowie Titanwerkstoffe werden dabei berücksichtigt. Durch Simulationen sowie experimentelle Untersuchungen konnte festgestellt werden, dass die auftretenden Normalkräfte und Scherspannungen im Kontakt zwischen Werkzeug und Blech beim Streckziehen größer sind als bei den beiden anderen Verfahren. Dadurch werden bei gleichen Spannungen im Material geringere Umformgrade erreicht. Hinsichtlich des Potenzials für das Upscaling der Produktion ist das Streckziehen im Folgeverbundwerkzeug aufgrund der einfachen Automatisierbarkeit und des Handlings bei geringen Zykluszeiten geeignet. / Fraunhofer IPT analyzes different technologies for the forming of metallic bipolar plates. Among them are stamping, rubberforming and hydroforming. Different materials like stainless steel (1.4301 and 1.4404) and titanium are considered. Numerical simulations and experimental validation show that contact pressure and shear stress in the contact between tool and sheet are larger for stamping processes. This leads to limited grades of deformation. Nevertheless, stamping in progressive die tools is a suitable forming technology for upscaling of the production of metallic bipolar plates as it has short cycle times and handling of the sheets can be automated easily.

Soil water content (SWC) measurements are crucial worldwide for hydrological predictions, agricultural activities, and monitoring the progress of reclamation on disturbed land from industrial activities. In colder climates, snow water equivalent (SWE) measurements are equally important, and directly contribute to improved spring water supply forecasting. Both these variables, SWC and SWE, are commonly measured with either point-scale (e.g. soil cores for SWC and snow tubes for SWE) or large-scale (remote sensing) methods. The cosmic-ray soil moisture probe (CRP) was recently developed to fill this gap between small- and large-scale measurements. The CRP provides an average SWC reading in a landscape-scale measurement footprint (300 m radius) by taking advantage of the relationship between aboveground neutrons and soil water. Although the CRP has proved accurate in relatively homogenous sites, it has not been validated at highly heterogeneous sites. Since snow is simply frozen water, the CRP also has the potential for monitoring SWE at the landscape-scale. However, no calibration has been developed for measuring SWE with the CRP. This thesis aimed to further validate the use of a CRP for measuring SWC at a highly heterogeneous site, and calibrate a CRP for monitoring landscape-scale SWE at an agriculture field. The heterogeneous site used to validate the CRP for SWC measurement was an oil sand reclamation site made up of multiple test plots of varying soil layer treatments. Despite the clear differences in soil texture at the site, the CRP-monitored SWC compared accurately to sampled soil water content and a network of soil moisture probes. With the use of modeling, it was also possible to downscale the CRP measurement to the plot scale. For calibrating the CRP for monitoring SWE, an empirical calibration function was developed based on the relationship between the CRP-measured neutrons and SWE from snow surveys with snow tubes. Using the calibration equation, CRP-estimated SWE closely matched SWE measured from snow surveys. Differences were attributed to mid winter and spring melting of the snowpack along with varying soil water content in the top of the soil profile. This research demonstrates the usefulness of the CRP for monitoring SWC at unique sites and its ability to monitor SWE at the landscape-scale.

Lorsqu'un fluide complexe s'écoule à travers un milieu poreux, à la non-linéarité de l'écoulement s'ajoute la spécificité de la structure poreuse, qui est souvent multi-échelle. Il émerge alors un grand nombre de problématiques fondamentales liées à l'interaction entre le fluide et la structure poreuse. L'interprétation et la modélisation de la grande variété des phénomènes physiques à petite échelle ainsi que leurs répercussions à grande échelle soulèvent de nombreuses questions. Dans cette thèse, les fluides étudiés sont des solutions de polymères, et les milieux poreux sont, entre autre, des roches issues de réservoirs pétroliers. Dans le contexte des méthodes de récupération améliorée pour les gisements pétroliers, l’injection d’eau avec polymères fait en effet partie des méthodes couramment utilisées, permettant d’augmenter l’efficacité du balayage et donc la production d’huile sur différents types de réservoirs. De part la rhéologie non-Newtonienne ainsi que les phénomènes particuliers proches de la paroi que développent les molécules de polymères, les fluides modélisés dans cette thèse peuvent être qualifiés de complexes. L'objectif de cette thèse est d'étudier la rhéologie non-Newtonienne ainsi que le comportement des molécules de polymère proches de la paroi. On relie alors ces phénomènes aux propriétés effectives macroscopiques. Pour cela, on simule numériquement les écoulements à travers desimages tomographiques de milieux poreux. Ainsi, on souhaite mieux cerner la physique qui est en jeu et également proposer des pistes d'amélioration des modèles actuellement implémentés dans les simulateurs de réservoirs. Dans une première partie de ce travail de thèse, on s'intéresse à la transition du régime d'écoulement macroscopique, de Newtonien à non-Newtonien, induite parune solution de polymère. Par des simulations numériques de l'écoulement à travers un large panel de milieux poreux, on étudie la transition entre ces deux régimes. Une analyse de la mécanique de l'écoulement permet de proposer un modèle simple et d'évaluer en ordre de grandeur la vitesse moyenne de transition. Ensuite, on étudie le glissement apparent induit par un mécanisme de répulsion des chaînes de polymère à la paroi liquide/solide. On propose un modèle à l'échelle des pores de ce phénomène et, par comparaison avec des données expérimentales,on montre que ce modèle permet de retrouver avec une précision acceptable les comportements macroscopiques observés. Enfin, avec des simulations directes sur des milieux périodiques, on relie les phénoménologies micro- et macroscopiques d'écoulements non-Newtoniens. D'un point de vue fondamental, on étudie notamment la compétition entre la non-linéarité induite par la rhéologie non-Newtonienne et le désordre inhérent à la structure poreuse. Les modèles actuellement utilisés dans les simulateurs de réservoirs sont reconsidérés au vu des résultats. / When a complex fluid is flowing through a porous medium, in addition to the fluid intrinsic physics, the multi-scale properties of the porous structure play a significant role. From the interaction between these features arise a great number of complex physical phenomena. The understandingand the modelling of the variety of these phenomena involved at the small scales and their impact on the large scales is the subject of intense work. In this thesis, the fluids we consider are polymer solutions and the porous media are typical sandstones met in petroleum applications. In petroleumengineering, the injection of a polymer slug into the oil-bearing reservoir is indeed a method commonly used in enhanced oil recovery. This method allows to increase the sweep efficiency, hence to improve the oil production of the reservoir. Due to the non-Newtonian rheology induced by the polymer molecules as well as specific mechanisms occurring at the liquid/solid interface, a polymer solution may be qualified as a complex fluid. The goal of this thesis is to investigate the non-Newtonian rheology and the behaviour of the polymer molecules near the liquid/solid interface. These phenomena are related to macro-scale effective properties. To thoroughly address this goal, we perform numerical simulations of flows through porous media. The goal is to obtain a better understanding of the underlying physics and, furthermore, we wish to propose possible improvements of the models that are currently used in reservoir simulators. Primarily, we are interested in the macro-scale transition from a Newtonian to a non-Newtonian flow. This transition is induced by the non-Newtonian rheology. By simulating flows through a wide panel of porous media, we study the macro-scale transition. An analysis of the fluid mechanics involved allows us to propose a simple model for the critical average velocity at which the transition occurs. In addition, we study the apparent slip induced by a repulsive mechanism of the polymer chains from the liquid/solid interface. We propose a pore-scale model to this mechanism. By performing comparisons with experimental datasets, we show that the model allows for a good description of the observed macro-scale behaviour. Finally, with direct simulations over periodic media, we link the phenomenology at the micro- and macro-scale for the flow of non-Newtonian fluids. On a fundamental level, we study the competition that emerges between the nonlinearity induced by the rheology and the disorder inherent to the porous structure. The results are related to modelscommonly used in reservoir simulators.

Finite difference and finite element methods exhibit first order convergence when applied to static interface problems where the grid and interface are not aligned. Although modified and unstructured grid methods would address the issue of misalignment for finite elements, application to large models of stratified media, such as those encountered in exploration geophysics, may require not only manual mesh manipulation but also more degrees of freedom than are ultimately necessary to resolve the solution. Instead using fitted or otherwise modified grids, this thesis details an improvement to an existing upscaling method that incorporates fine-scale variations of material properties by composing standard piecewise linear basis functions with a specific type of harmonic map. This technique requires that the problem domain be discretized using two meshes: one fine mesh where the harmonic map is computed to resolve fine-scale structures, and a coarse mesh where the solution to the problem is approximated. The implementation of this method in the literature restricts these composite basis functions to triangular elements in 2D leading to a non-conforming finite element method and suboptimal convergence. However, the support of these basis functions in harmonic coordinates is triangular. I present a mesh-mesh intersection algorithm that exploits this alternative representation to determine the true support of the composite basis functions in terms of the fine mesh. The result is a conforming, high-resolution finite element basis that is associated with the original coarse mesh nodes. Leveraging this fine scale information, I develop a new finite element matrix assembly algorithm. Knowing the shape of the basis support leads naturally to an integration method for computing the finite element matrix entries that is exact up to the accuracy of the harmonic map approximation. This new conforming method is shown to improve the accuracy of solutions to elliptic PDE with discontinuous coefficients on coarse, regular grids.