Ce travail de thèse porte sur la modélisation mathématique et la simulation numérique de la migration par gravité et capillarité du CO₂ supercritique injecté dans un site de séquestration géologique hétérogène. Les simulations sont réalisées à l'aide du code DuMux. Particulièrement, on s'intéresse à la mise à l'échelle, de l'échelle de la cellule à l'échelle du réservoir, d'un modèle d'écoulement diphasique CO₂ -saumure, au sein d'un milieu stratifié périodique constitué d'un réseau de barrières peu perméables horizontales, continues ou discontinues. La mise à l'échelle est effectuée par la méthode asymptotique à double échelle. Dans un premier temps, on considère le cas d'une colonne verticale parfaitement stratifiée. Un modèle homogénéisé est développé puis validé par simulation numérique pour différentes valeurs du nombre capillaire et du flux incident de CO₂ . La méthode d'homogénéisation est appliquée au cas d'un écoulement dans un milieu bidimensionnel constitué de strates discontinues. Par l'effet de gravité, le CO₂ s'accumule sous les strates peu perméables, ce qui conduit à un problème mathématique local non standard. Cette stratification est modélisée à l'aide de l'approche des courants de gravité. L'approche est étendue au cas des strates semi-perméables et en prenant en compte la capillarité. Le modèle mis à l'échelle est comparé à des simulations numériques effectuées pour différents types de strates, avec ou sans pression capillaire, et sa limite de validité est discutée pour chacun de ces cas. La dernière partie de la thèse est dédiée à l'étude des performances du code DuMux pour simuler par calcul parallèle l'injection et la migration de CO₂ dans des milieux hétérogènes tridimensionnels (milieu périodique stratifié, milieu fluviatile et milieu réservoir SPE10). / This work deals with the mathematical modeling and the numerical simulation of the migration under gravity and capillarity effects of the supercritical CO₂ injected into a geological heterogeneous sequestration site. The simulations are performed with the code DuMux. Particularly, we consider the upscaling, from the cell scale to the reservoir scale, of a two-phase (CO₂ -brine) flow model within a periodic stratified medium made up of horizontal low permeability barriers, continuous or discontinuous. The upscaling is done by the two-scale asymptotic method. First, we consider perfectly layered media. An homogenized model is developed and validated by numerical simulation for different values of capillary number and the incident flux of CO₂ . The homogenization method is then applied to the case of a two-dimensional medium made up of discontinuous layers. Due to the gravity effect, the CO₂ accumulates under the low permeability layers, which leads to a non-standard local mathematical problem. This stratification is modeled using the gravity current approach. This approach is then extended to the case of semi-permeable stratas taking into account the capillarity. The upscaled model is compared with numerical simulations for different types of layers, with or without capillary pressure, and its limit of validity is discussed in each of these cases. The final part of this thesis is devoted to the study of the parallel computing performances of the code DuMux to simulate the injection and migration of CO₂ in three-dimensional heterogeneous media (layered periodic media, fluvial media and reservoir model SPE 10).

Résumé : Ces travaux de thèse s'intéressent à l'étude du comportement d'une discontinuité dans un géomatériau sous sollicitations chemo-mécaniques à l'échelle du laboratoire. Des essais de traction-compression cyclique étudient la refermeture d'une fissure. Ils indiquent que les déformations inélastiques seraient gouvernées en partie par les frottements générés lors du ré-emboîtement des lèvres de la discontinuité, non correspondantes du fait des contraintes internes. Des joints rocheux altérés chimiquement sous sollicitation tangentielle sont étudiés au travers d'essais de cisaillement direct : le comportement des joints dégradés est profondément modifié du fait de la diminution des propriétés mécaniques du matériau de part et d'autre de la discontinuité et de l'accentuation de la non-correspondance des profils rugueux. Le comportement d'une discontinuité est modélisée par le couplage d'un modèle élasto-plastique endommageable continu avec une résolution discrète du problème de contact/frottement (code calcul aux éléments finis Cast3M). Les résultats numériques confirment les phénomènes constatés expérimentalement.//Abstract: To probate the technology of CO[indice inférieur 2] geological storage, the integrity of the site must be assure over time. This industruial problematic involves the study of the mechanical properties alteration of geomaterials in the presence of CO[indice inférieur 2]. The scenario at the origin of this thesis illustrates the possibility of a CO[indice inférieur 2] leakage on a fault located in the caprock. This geological problem is complicated by the many parameters to consider: in situ temperature and pressure, scale effect, heterogeneities of the geomaterial, geofluide composition, chemical reactions ... These works focus on the behavior of a discontinuity in a geomaterial solicited chemomechanically at the laboratory scale. They were realised in cotutelle between SIAME laboratory at the University of Pau and Pays de l'Adour (France) and the laboratory of rock mechanics and engineering geology from the University of Sherbrooke (Quebec, Canada). The first part of the experimental program was defined to characterize the reclosing of a crack under cyclic uniaxial stress. The second experimental campaign has studied the shear behavior of a rock joint chemically degraded. The data obtained were used to model the behavior of a discontinuity by the finite element method. The mechanical behavior of a crack under normal stress is assessed with cyclic tension-compression tests. Stress curve showed hysteresis during opening and closing cycles of a discontinuity in concrete, it indicated inelastic deformations The analysis of displacement field by image correlation indicated that theses deformations were partially governed by the friction generated during the closing of the discontinuity lips. Frictional phenomena are due to asperities mismatching induced by the internal stresses in the concrete. The shear behavior of a rock joint chemically damaged was studied through direct shear tests. Rough surfaces were immersed in acid solution during 6 hours at constant pH. Digitalization of these surfaces befor and after immesion, with a lase profilometer, indicates little modifications of the geometry induced by dissolution of material. Results of tests pointed out significant modifications for altered joints illustred by a of the peak shear strength and an increased of contractancy. They are induced by: 1) the mismatch enhancement of the rough profiles of the discontinuity and, 2) the degradation of the mechanical properties of the material on both sides of the discontinuity due to the chemical attack. Numerical contribution of the thesis lies in modeling the behavior of a discontinuity by the coupling of an continuous elastic-plastic damaged model with a discrete resolution of the contact/friction problem. The model is developed with the finite element code Cast3M. Geometries lips discontinuities are modeled directly from the roughness profiles from experimental scans. The numerical results correctly represent the friction phenomena observed experimentally. Finally, a model of the shear test altered joints is performed by coupling the mechanical model with chemical damage model.

R??sum?? : Ces travaux de th??se s'int??ressent ?? l'??tude du comportement d'une discontinuit?? dans un g??omat??riau sous sollicitations chemo-m??caniques ?? l'??chelle du laboratoire. Des essais de traction-compression cyclique ??tudient la refermeture d'une fissure. Ils indiquent que les d??formations in??lastiques seraient gouvern??es en partie par les frottements g??n??r??s lors du r??-embo??tement des l??vres de la discontinuit??, non correspondantes du fait des contraintes internes. Des joints rocheux alt??r??s chimiquement sous sollicitation tangentielle sont ??tudi??s au travers d'essais de cisaillement direct : le comportement des joints d??grad??s est profond??ment modifi?? du fait de la diminution des propri??t??s m??caniques du mat??riau de part et d'autre de la discontinuit?? et de l'accentuation de la non-correspondance des profils rugueux. Le comportement d'une discontinuit?? est mod??lis??e par le couplage d'un mod??le ??lasto-plastique endommageable continu avec une r??solution discr??te du probl??me de contact/frottement (code calcul aux ??l??ments finis Cast3M). Les r??sultats num??riques confirment les ph??nom??nes constat??s exp??rimentalement.//Abstract: To probate the technology of CO[indice inf??rieur 2] geological storage, the integrity of the site must be assure over time. This industruial problematic involves the study of the mechanical properties alteration of geomaterials in the presence of CO[indice inf??rieur 2]. The scenario at the origin of this thesis illustrates the possibility of a CO[indice inf??rieur 2] leakage on a fault located in the caprock. This geological problem is complicated by the many parameters to consider: in situ temperature and pressure, scale effect, heterogeneities of the geomaterial, geofluide composition, chemical reactions ... These works focus on the behavior of a discontinuity in a geomaterial solicited chemomechanically at the laboratory scale. They were realised in cotutelle between SIAME laboratory at the University of Pau and Pays de l'Adour (France) and the laboratory of rock mechanics and engineering geology from the University of Sherbrooke (Quebec, Canada). The first part of the experimental program was defined to characterize the reclosing of a crack under cyclic uniaxial stress. The second experimental campaign has studied the shear behavior of a rock joint chemically degraded. The data obtained were used to model the behavior of a discontinuity by the finite element method. The mechanical behavior of a crack under normal stress is assessed with cyclic tension-compression tests. Stress curve showed hysteresis during opening and closing cycles of a discontinuity in concrete, it indicated inelastic deformations The analysis of displacement field by image correlation indicated that theses deformations were partially governed by the friction generated during the closing of the discontinuity lips. Frictional phenomena are due to asperities mismatching induced by the internal stresses in the concrete. The shear behavior of a rock joint chemically damaged was studied through direct shear tests. Rough surfaces were immersed in acid solution during 6 hours at constant pH. Digitalization of these surfaces befor and after immesion, with a lase profilometer, indicates little modifications of the geometry induced by dissolution of material. Results of tests pointed out significant modifications for altered joints illustred by a of the peak shear strength and an increased of contractancy. They are induced by: 1) the mismatch enhancement of the rough profiles of the discontinuity and, 2) the degradation of the mechanical properties of the material on both sides of the discontinuity due to the chemical attack. Numerical contribution of the thesis lies in modeling the behavior of a discontinuity by the coupling of an continuous elastic-plastic damaged model with a discrete resolution of the contact/friction problem. The model is developed with the finite element code Cast3M. Geometries lips discontinuities are modeled directly from the roughness profiles from experimental scans. The numerical results correctly represent the friction phenomena observed experimentally. Finally, a model of the shear test altered joints is performed by coupling the mechanical model with chemical damage model.