Nous présentons une étude in situ du verre de silice v-SiO2 sous pression hydrostatique de gaz rares par spectroscopie Brillouin et Raman. Les échantillons sont pressurisés avec de l'hélium, du néon et de l'argon dans une cellule à enclume de diamant, dans la gamme 0 - 8 GPa. Les atomes d'hélium et de néon pénètrent dans la structure du verre sous pression. On estime qu'environ un atome d'hélium par tétraèdre SiO4 et qu'environ deux fois moins dans le cas du néon sont adsorbés à 6 GPa. Les modules de compression et de cisaillement en fonction de la pression de fluide sont obtenus à partir des mesures des vitesses acoustiques longitudinales et transverses. L'anomalie de comportement du module de compression de v-SiO2 (minimum à 2 GPa) est supprimée par l'adsorption de He et de Ne, les réarrangements structuraux liés à cette anomalie étant empêchés parl'occupation des sites interstitiels par les atomes d'hélium et de néon. En présence d'hélium et de néon, l'équation d'état V (P) ne permet pas de retrouver le module de compression car la silice se comporte comme un milieu poreux ouvert. La simulation Monte-Carlo des isothermes d'adsorption combinée à la théorie généralisée de la poromécanique permet de décrire les déformations volumiques et les quantités de fluide adsorbées en accord avec les résultats expérimentaux. Dans le cas du néon, la cinétique d'adsorption-désorption est observée par spectroscopie Brillouin. Les spectres Raman VV et VH de v-SiO2 ont été mesurés en fonction de la pression de fluide. La réduction de la distribution des angles Si–O–Si est empêchée par l'insertion d'hélium. / We present an in situ study of vitreous silica v-SiO2 under hydrostatic noble gases pressure by Brillouin and Raman spectroscopy. Samples are pressurized in helium, neon and argon in a diamond anvil cell, in the range 0 - 8 GPa. Helium and neon atoms penetrate in the pressurized glass structure. We estimate that about one atom of helium per SiO4 tetrahedron and about half in the neon case are adsorbed at 6 GPa. Bulk and shear moduli as a function of fluid pressure are obtained from measurements of the longitudinal and transverse acoustic velocities. The behaviour anomaly of the bulk modulus of v-SiO2 (minimum at 2 GPa) is suppressed by He and Ne adsorption, structural rearrangements associated with this anomaly being prevented by the occupation of interstitial sites by helium and neon atoms. In the presence of helium and neon, the V(P) equation of state does not allow to recover bulk modulus because silica behaves like an open porous medium. Monte-Carlo simulation of adsorption isotherms combined with the generalized theory of poromechanics allows to describe volume deformations and adsorbed fluid amount in agreement with experimental results. In the neon case, adsorption-desorption kinetics is observed by Brillouin spectroscopy. Measurements of VV and VH Raman spectra of v-SiO2 are made as function of fluid pressure. The reduction of Si–O–Si angles distribution is prevented by the insertion of helium.

Dans cette thèse, on s’intéresse à de nouveaux schémas de discrétisation afin de résoudre les équations couplées de la poroélasticité et nous présentons des résultats analytiques et numériques concernant des problèmes issus de la poromécanique. Nous proposons de résoudre ces problèmes en utilisant les méthodes Hybrid High-Order (HHO), une nouvelle classe de méthodes de discrétisation polyédriques d’ordre arbitraire. Cette thèse a été conjointement financée par le Bureau de Recherches Géologiques et Minières (BRGM) et le LabEx NUMEV. Le couplage entre l’écoulement souterrain et la déformation géomécanique est un sujet de recherche crucial pour les deux institutions de cofinancement. / In this manuscript we focus on novel discretization schemes for solving the coupled equations of poroelasticity and we present analytical and numerical results for poromechanics problems relevant to geoscience applications. We propose to solve these problems using Hybrid High-Order (HHO) methods, a new class of nonconforming high-order methods supporting general polyhedral meshes. This Ph.D. thesis was conjointly founded by the Bureau de recherches géologiques et minières (BRGM) and LabEx NUMEV. The coupling between subsurface flow and geomechanical deformation is a crucial research topic for both cofunding institutions.

Les émissions de CO2 dans l'atmosphère sont reconnues comme ayant un effet significatif sur le réchauffement climatique. Le stockage géologique de CO2 est largement considéré comme une approche essentielle pour réduire l'impact de telles émissions sur l'environnement. De plus, injecter du dioxyde de carbone dans les veines de charbon remplies de méthane présent naturellement facilite la récupération de ce méthane, un processus connu sous le nom de récupération assistée du méthane des veines de charbon (ECBM en anglais). Mais le gonflement de la matrice de charbon induite par l'adsorption préférentielle de dioxyde de carbone par rapport au méthane conduit à la fermeture du système de cleats (un ensemble de petites fractures naturelles) du réservoir et donc à une perte d'injectivité. Cette thèse de doctorat est consacrée à l'étude de comment cet injectivité évolue en présence de fluides. Nous dérivons deux modèles poromécaniques à double porosité pour une veine de charbon saturée par un liquide pur. Les équations constitutives obtenues permettent de mieux comprendre et modéliser le lien entre injectivité de la veine de charbon et gonflement du charbon induit par l'adsorption. Pour les deux modèles, on considère l'espace poreux du réservoir comme divisé en les cleats macroporeuses et les pores de la matrice de charbon. Les deux modèles diffèrent dans la manière dont l'adsorption de fluide est prise en compte : le premier modèle est limité à une adsorption surfacique, tandis que le deuxième modèle peut être appliqué à l'adsorption dans un milieu possédant un réseau poreux générique, et donc dans un milieu microporeux comme le charbon, pour lequel l'adsorption se déroule principalement par remplissage de micropores. Le second modèle est calibré sur deux charbons avec des propriétés de sorption et de gonflement différentes. Nous effectuons alors des simulations à différentes échelles (du Volume Élémentaire Représentatif, de l'échantillon de charbon, la veine de charbon). En particulier, nous validons notre modèle sur des données expérimentales de variations de perméabilité de charbon induites par l'adsorption. Nous effectuons aussi des simulations de veines dont le méthane serait produit (un processus connu sous le nom de CBM en anglais) ou de veines sans méthane dans lesquelles du CO2 serait injecté. Nous étudions l'effet de différents paramètres tels que les conditions aux limites, la compressibilité de la matrice de charbon, ou la cinétique de transfert de liquide entre les cleats et la matrice de charbon. Dans une dernière partie, le modèle dérivé est étendu aux cas pour lesquels le charbon est en présence de mélanges fluides binaires tels que les mélanges de méthane et le dioxyde de carbone. Nous calibrons entièrement calibré ce modèle étendu sur des données disponibles obtenues expérimentalement et par simulations moléculaires. Des calculs sont alors effectués à l'échelle d'un Volume Élémentaire Représentatif pour prévoir comment sa porosité et sa perméabilité varient en présence de mélanges fluides de méthane et de dioxyde de carbone / CO2 emissions into the atmosphere are recognized to have a significant effect on global warming. Geological storage of CO2 is widely regarded as an essential approach to reduce the impact of such emissions on the environment. Moreover, injecting carbon dioxide in coal bed methane reservoirs facilitates the recovery of the methane naturally present, a process known as enhanced coal bed methane recovery (ECBM). But the swelling of the coal matrix induced by the preferential adsorption by coal of carbon dioxide over the methane in place leads to a closure of the cleat system (a set of small natural fractures) of the reservoir and therefore to a loss of injectivity. This PhD thesis is dedicated to a study of how this injectivity evolves in presence of fluids. We derive two poromechanical dual-porosity models for a coal bed reservoir saturated by a pure fluid. The resulting constitutive equations enable to better understand and model the link between the injectivity of a coal seam and the adsorption-induced swelling of coal. For both models, the pore space of the reservoir is considered to be divided into the macroporous cleats and the pores of the coal matrix. The two models differ by how adsorption of fluid is taken into account: the first model is restricted to surface adsorption, while the second model can be applied for adsorption in a medium with a generic pore size distribution and thus in a microporous medium such as coal, in which adsorption mostly occurs by micropore filling. The latter model is calibrated on two coals with different sorption and swelling properties. We then perform simulations at various scales (Representative Elementary Volume, coal sample, coal seam). In particular, we validate our model on experimental data of adsorption-induced variations of permeability of coal. We also perform simulations of seams from which methane would be produced (CBM) or of methane-free seams into which CO2 would be injected. We study the effect of various parameters such as boundary conditions, compressibility of the coal matrix, or kinetics of transfer of fluid between cleats and coal matrix. In a final part, the derived model is extended to cases for which coal is in presence of fluid binary mixtures such as mixtures of methane and carbon dioxide. We fully calibrate this extended model on available data obtained experimentally and by molecular simulations. Calculations are then performed at the scale of a Representative Elementary Volume in order to predict how its porosity and its permeability vary in presence of fluid mixtures of methane and carbon dioxide

Le manque de granulats de qualité dans certaines régions françaises tend à devenir un problème majeur pour les entreprises de travaux publics. En effet, avec une consommation annuelle de 200 millions de tonnes de granulats, la route se doit de faire face en imaginant de nouvelles solutions comme la valorisation de certains matériaux.La craie, située entre roche et sol, possède une place particulière dans le monde des travaux publics. En effet, si son usage est relativement bien maîtrisé en vue de la réalisation de remblais ou de couches de forme, il en est tout autrement des couches d’assise de chaussées.Ce type de matériau est usuellement rejeté de la conception des assises de chaussées car il ne s’insère pas dans les guides normatifs utilisés par les professionnels de la route. Les performances mécaniques et la grande sensibilité à l’eau de ce matériau ne lui permettent pas d’entrer dans les spécifications requises par les normes. Cependant, il est tout à fait envisageable que la craie trouve sa place de manière totale ou partielle en assise de chaussée.Ce matériau que l’on trouve en abondance dans certaines régions françaises pauvres en granulats "haut de gamme" (Nord-Pas de Calais, Champagne-Ardenne…), pourrait ainsi palier un certain manque, participer à la préservation de ressources naturelles et économiser frais et pollution générés par un approvisionnement lointain.Ces travaux menés en partenariat entre le Laboratoire de Génie Civil de l’Ecole Centrale de Lille et le Laboratoire Routier Eurovia de Loos ont donc pour but de proposer des pistes d’amélioration des performances mécaniques de la craie en vue de sa valorisation en assise de chaussée routière / The lack of high quality aggregates in some French regions seems to become a main issue for road work firms. With an annual consumption of 200 millions tonnes of aggregates, road professionals must square up finding new solutions like the valorisation of some forgotten materials. Between rock and soil, chalk has a particular position in road work. While its use is relatively well managed for the realisation of fills and subgrade courses, the same certainly cannot be said for base courses. This kind of material is usually rejected for the design of road base courses because it is not approved within the current standards used by road professionals. Indeed, the low mechanical performances and the high water sensibility of chalk do not allow this material to be used. However, it seems possible to find some pre-treatments to harden chalk for a use in road base courses.This material is found profusely in some French regions otherwise limited in upscale aggregates (Nord-Pas de Calais, Champagne-Ardenne…). Therefore, valorising chalk may overcome the lack of aggregates, contribute to the preservation of natural resources, save up money and avoid pollution due to distant supplying.The study presented here is conducted in partnership between the Ecole Centrale de Lille Civil Engineering Laboratory and the Eurovia Roadworks Laboratory of Loos. We provide several trails aimed at improving the mechanical properties of chalk for its use in road base courses

Cette étude vise à améliorer la compréhension d’un phénomène observé lors de l’exploitation de réservoir de stockage de gaz naturel : la venue de sable dans le puits de forage. Cette venue de sable peut être due à des facteurs structurels ou à une fatigue du matériau suite aux cycles de pression de gaz. Ce travail se concentre sur l’aspect comportement du matériau et il est composé de plusieurs parties complémentaires. Le critère de rupture de type Drucker-Pragger est identifié en contrainte effective triaxiale sans pression de pore. Son utilisation avec pression permet ensuite d’évaluer la pression de gaz critique entrainant la rupture. Cette pression est ensuite appliquée à 80% de sa valeur pour observer si des phénomènes différés peuvent survenir. On a en effet obtenu la rupture dans plusieurs cas après avoir maintenu cette pression pendant un long laps de temps et montré que les cycles de pression endommageaient significativement le matériau. En parallèle, la perméabilité du matériau sous contrainte axiale décroît constamment, malgré sa dilatance, ce qui selon nous, confirme la venue de sable. Enfin nous avons montré que l’endommagement du matériau accroît notablement sa légère anisotropie naturelle et s’accompagne d’un impact très clair sur les couplages poro-mécaniques (coefficient de Biot). Cette partie du travail donne ainsi des outils qui pourraient être utilisés dans la description des effets structuraux induits par les variations de pression de gaz autour du forage. / This study aims to improve the understanding of the phenomenon of sand production around borehole during exploitation of natural gas storage. The source of sand may be due to structural factors or fatigue of the material because of the cyclic injection and extraction of gas pressure. This work focuses on the mechanical behaviors, transport properties and poromechanical proprieties of a sandstone. The Drucker-Pragger failure criterion is identified with triaxial effective stress without pore pressure. It can be used to evaluate the critical gas pressure causing rock failure at constant confining pressure and deviatoric stress. 80% of the critical gas pressure is then applied to observe whether different phenomenon will occur. Several cases of rupture are obtained after maintaining this gas pressure for a long time and cyclic loading-unloading of gas pressure damages the material significantly. At the meantime, the permeability of the material under axial stress decreases constantly even at volumetric dilatation stages which confirms the phenomenon of sand production. Finally, we find that mechanical damage increases its slightly natural anisotropy and it has a very significant influence on the poro-mechanical behaviors (Biot’s coefficient). This part of the work can be used to describe the structural effects induced by gas pressure variation around the borehole

<p dir="ltr">Subcutaneous injection for self-administration of biotherapeutics, such as monoclonal antibodies (mAbs), is becoming increasingly prominent within the pharmaceutical sector due to its benefits in patient compliance and cost-effectiveness. The success of this drug delivery process depends on the coupled mechanical and transport phenomena within the subcutaneous tissue, both during and after the injection. Yet, the details of these processes are not well-elucidated, sparking a surge in computational efforts to fill this knowledge gap. Remarkably, there are very few computational studies on subcutaneous injection into three-dimensional porous media that account for large tissue deformations, drug transport and absorption, the use medical devices, and human factors. Here, we develop a high-fidelity computational framework to study large-volume subcutaneous injection of mAbs. Our investigation begins with a linear poroelastic model without drug transport, which we employ to study the effect of tissue deformation on injection dynamics. We progressively enhance this model, advancing to a nonlinear porohyperelastic framework that include drug transport and absorption. To capture the anisotropy of subcutaneous tissue, we employ a fibril-reinforced porohyperelastic model. Furthermore, we integrate the multi-layered structure of skin tissue by creating data-driven geometrical models of the tissue layers derived from histological data. Our analysis explores the impact of different handheld autoinjectors on the injection dynamics for various patient-applied forces. We investigate the effect of different pre-injection techniques, such as the pinch and stretch methods, on the drug transport and absorption. Additionally, we evaluate the impact of several physiological variables, including flow rate, injection depth, and body mass index. Our simulations yield crucial insights essential for comprehending and improving subcutaneous drug administration of mAbs. Additionally, they offer a deeper understanding of the human aspect of the injection procedure, thereby paving the way for advancements in the development of patient-centered injection devices and techniques.</p>

Ce travail vise à étudier les propriétés de transport et le comportement poromécaniquede fluides simples confinés dans des nanopores lamellaires par le biais de simulationsmoléculaires. Pour ce faire, nous avons proposé différents schémas de simulations de ladynamique moléculaire dans des ensembles adaptés aux propriétés étudiées (diffusion demasse, viscosité, force de friction, gonflement …). Il a été note que les propriétés de transportde fluides fortement inhomogènes variaient fortement dans la direction perpendiculaire auxmurs solides. Nous avons alors proposé une approche non-locale permettant de déterminerquantitativement la viscosité locale de fluides inhomogènes à partir du profil de densité etapplicable pour des sphères dures, molles et le fluide de Lennard-Jones. Il a été égalementmontré qu’un fluide de Lennard-Jones fortement confiné pouvait avoir un comportementviscoplastique (et rhéofluidifiant) si un ordre structurel était induit dans le fluide par laposition relative des murs solides. Enfin, nous avons montré qu’une modification importantede la pression de solvatation du fluide confiné peut être induite par cisaillement ce qui peutinduire un gonflement « dynamique » d’un nanopore lamellaire. / This work aims at investigating the transport properties and the poromechanics of simple spherical fluids confined in slit nanopores through molecular simulations. To do so, we have proposed different schemes to perform molecular dynamics simulations in ensembles adequate to deal with the properties we were looking after (mass diffusion, shear viscosity,friction force, swelling …). The transport properties of strongly inhomogeneous fluids were found to be varying with space perpendicularly to the solid walls. We have then proposed a non-local approach to determine quantitatively the local shear viscosity of such inhomogeneous fluids from the density profile applicable from the Hard-Sphere to the Lennard-Jones fluids. In addition, it has been shown that highly confined Lennard-Jones fluid may exhibit a visco-plastic (+ shear thinning) behavior when a strong structural order is induced in the whole confined fluid because of the relative position of the solid walls. Finally, it was demonstrated that shear induced modifications of the solvation pressure of a confined fluid may exist that leads to a “dynamic” swelling when a slit micropore is sheared.

[Truncated abstract] Rocks, as the host to natural chains of coupled thermal, hydraulic and mechanical processes, are heterogeneous at a variety of length scales, and in their mechanical properties, as well as in the hydraulic and thermal transport properties. Rock heterogeneity affects the ultimate hydro-carbon recovery or geothermal energy production. This heterogeneity has been considered one important and difficult problem that needs to be taken into account for its effect on the coupled processes. The aim of this thesis is to investigate the effect of rock heterogeneity on multi-physical processes. A fully coupled finite element model, hereinafter referred to as a porosity-based model (PBM) was developed to characterise the thermal-hydraulic-mechanical (THM) coupling processes. The development of the PBM consists of a two-staged workflow. First, based on poromechanics, porosity, one of the inherent rock properties, was derived as a variant function of the thermal, hydraulic and mechanical effects. Then, empirical relations or experimental results, correlating porosity with the mechanical, hydraulic and thermal properties, were incorporated as the coupling effects. In the PBM, the bulk volume of the model is assumed to be changeable. The rate of the volumetric strain was derived as the difference of two parts: the first part is the change in volume per unit of volume and per unit of time (this part was traditionally considered the rate of volumetric strain); and the second is the product of the first part and the volumetric strain. The second part makes the PBM a significant advancement of the models reported in the literature. ... impact of the rock heterogeneity on the hydro-mechanical responses because of the requirement of large memory and long central processing unit (CPU) time for the 3D applications. In the 2D PBM applications, as the thermal boundary condition applied to the rock samples containing some fractures, the pore pressure is generated by the thermal gradient. Some pore pressure islands can be generated as the statistical model and the digital image model are applied to characterise the initial porosity distribution. However, by using the homogeneous model, this phenomenon cannot be produced. In the 3D PBM applications, the existing fractures become the preferential paths for the fluid flowing inside the numerical model. The numerical results show that the PBM is sufficiently reliable to account for the rock mineral distribution in the hydro-mechanical coupling processes. The applications of the statistical method and the digital image processing technique make it possible to visualise the rock heterogeneity effect on the pore pressure distribution and the heat dissipation inside the rock model. Monitoring the fluid flux demonstrates the impact of the rock heterogeneity on the fluid product, which concerns petroleum engineering. The overall fluid flux (OFF) is mostly overestimated when the rock and fluid properties are assumed to be homogeneous. The 3D PBM application is an example. As the rock is heterogeneous, the OFF by the digital core is almost the same as that by the homogeneous model (this is due to that some fractures running through the digital core become the preferential path for the fluid flow), and around 1.5 times of that by the statistical model.

Doctor of Philosophy / Department of Mechanical and Nuclear Engineering / Daniel V. Swenson / The objective of the thesis is to provide a fully coupled thermo-hydro-mechanical (THM) tool, T2STR, which enables quantitative understanding and prediction of thermal as well as mechanical effects on flow in the porous media under multiphase conditions. This is achieved by incorporating a finite element based hydro-thermo-mechanical stress capability into the well-established IFDM (Integrated Finite Difference Method) based flow simulation code TOUGH2. TOUGH2 is a program for calculation of multi-phase, multi-component, non-isothermal flow in porous media. It implements several equation of state modules to represent different fluid mixtures. The dual mesh technique is natural for combining both discretization methods and is used innovatively and effectively. A generalized approach is developed to accommodate the switching of variables implemented in TOUGH2 to adapt the phase changes. The forward coupling is achieved by using the thermal, hydrostatic, and poroelastic effects in the stress calculations. The backward coupling includes the effect of strain on the fluid flow. T2STR also allows the user to study the variation in porosity, permeability and capillary pressure as function of mean effective stress in the porous media. Multiple materials can be used to model the reservoir in T2STR, parallel to the implementation in TOUGH2. T2STR is implemented to carry out as a fully coupled, one way coupled (only deformation as function of hydro-thermal effects), or original TOUGH2 implementation. It provides the ability to switch on and off the thermal and/or poroelastic effects. T2STR is developed to model the fractured porous media using discrete fractures. The modeling of fractured porous media is limited to a staggered coupling approach. The fluid parameters like permeability, porosity are modified based on the stresses and/or aperture changes due to deformation. A set of verification problems, used to validate the code and display the capabilities of the code, are discussed. A graphical user interface is designed to pre-process the necessary data. Macros are developed for excel and Tecplot to post-process the results for easy visualization.