Accurate prediction of colloid deposition rates in porous media is essential in several applications. These include natural filtration of pathogenic microorganisms such as bacteria, viruses, and protozoa, transport and fate of colloid-associated transport of contaminants, deep bed and river bank filtration for water treatment, fate and transport of engineered nanoparticles released into the environment, and bioremediation of contaminated sites. Colloid transport in porous media is a multi-scale problem, with length scales spanning from the sub-pore scale, where the particle-soil interaction forces control the deposition, up to the Darcy scale, where the macroscopic equations governing particle transport are formulated. Colloid retention at the Darcy scale is due to the lumped effect of processes occurring at the pore scale. This requires the incorporation of the micro-scale physics into macroscopic models for a better understanding of colloid deposition in porous media. That can be achieved through pore-scale modeling and the subsequent upscaling to the Darcy scale. Colloid Filtration Theory (CFT), the most commonly used approach to describe colloid attachment onto the soil grains in the subsurface, is found to accurately predict the deposition rates of micron-sized particles under favorable conditions for deposition. But, CFT has been found to over predict particle deposition rates at low flow velocity conditions, typical of groundwater flow, and for nanoscale particles. Also, CFT is found to be inapplicable at typical environmental conditions, where conditions become unfavorable for deposition, due to factors not considered in CFT such as deposition in the secondary minimum of the interaction energy profile, grain surface roughness, surface charge heterogeneity of grains and colloids, and deposition at grain-to-grain contacts. To the best of our knowledge, mechanistic-based models for predicting colloid deposition rates under unfavorable conditions do not exist. Currently, fitting the colloid breakthrough curve (BTC), obtained from the laboratory column-or field-scale experiments, to the advection-dispersion-deposition model is used to estimate the values of deposition rate coefficients. Because of their small size (less than 100 nm), nanoparticles, a sub-class of colloids, may interact with the porous medium in a different way as compared to the larger colloids, resulting in different retention mechanisms for nanoparticles and micron-sized particles. This emphasizes the need to study nanoparticles separately from larger, micrometer-sized colloids to better understand nanoparticle retention mechanisms. The work reported in this thesis contributes towards developing mathematical models to predict nanoparticle movement in porous media. A comprehensive mechanistic approach is employed by integrating pore-scale processes into Darcy-scale models through pore-network modeling to upscale nanoparticle transport in saturated porous media to the Darcy scale, and to develop correlation equations for the Darcy-scale deposition parameters in terms of various measurable parameters at Darcy scale. Further, a one-dimensional mathematical model to simulate the co-transport of viruses and colloids in partially saturated porous media is developed to understand the relative importance of various interactions on virus transport in porous media. Pore-network modeling offers a valuable upscaling tool to express the macroscopic behavior by accounting for the relevant physics at the underlying pore scale. This is done by idealizing the pore space as an interconnected network of pore elements of different sizes and variably connected to each other, and simulating flow and transport through the network of pores, with the relevant physics implemented on a pore to pore basis (Raoof, 2011). By comparing the results of pore-network modeling with an appropriate mathematical model describing the macro-scale behavior, a relationship between the properties at the macro scale and those at the pore scale can be obtained. A three dimensional multi-directional pore-network model, PoreFlow, developed by Raoof et al. (2010, 2013) is employed in this thesis, which represents the porous medium as an interconnected network of cylindrical pore throats and spherical pore bodies, to upscale nanoparticle transport from pore scale to the Darcy scale. The first step in this procedure is to obtain relationships between adsorbed mass and aqueous mass for a single pore. A mathematical model is developed to simulate nanoparticle transport in a saturated cylindrical pore by solving the full transport equation, considering various processes such as advection, diffusion, hydrodynamic wall effects, and nanoparticle-collector surface interactions. The pore space is divided into three different regions: bulk, diffusion and potential regions, based on the dominant processes acting in each of these regions. In both bulk and diffusion regions, nanoparticle transport is governed by advection and diffusion. However, in the diffusion region, the diffusion is significantly reduced due to hydrodynamic wall effects. Nanoparticle-collector interaction forces dominate the transport in the potential region where deposition occurs. A sensitivity analysis of the model indicates that nanoparticle transport and deposition in a pore is significantly affected by various pore-scale parameters such as the nanoparticle and collector surface potentials, ionic strength of the solution, flow velocity, pore radius, and nanoparticle radius. The model is found to be more sensitive to all parameters under favorable conditions. It is found that the secondary minimum plays an important role in the deposition of small as well as large nanoparticles, and its contribution is found to increase as the favorability of the surface for adsorption decreases. Correlation equations for average deposition rate coefficients of nanoparticles in a saturated cylindrical pore under unfavorable conditions are developed as a function of nine pore-scale parameters: the pore radius, nanoparticle radius, mean flow velocity, solution ionic strength, viscosity, temperature, solution dielectric constant, and nanoparticle and collector surface potentials. Advection-diffusion equations for nanoparticle transport are prescribed for the bulk and diffusion regions, while the interaction between the diffusion and potential regions is included as a boundary condition. This interaction is modeled as a first-order reversible kinetic adsorption. The expressions for the mass transfer rate coefficients between the diffusion and the potential regions are derived in terms of the interaction energy profile between the nanoparticle and the collector. The resulting equations are solved numerically for a range of values of pore-scale parameters. The nanoparticle concentration profile obtained for the cylindrical pore is averaged over a moving averaging volume within the pore in order to get the 1-D concentration field. The latter is fitted to the 1-D advection-dispersion equation with an equilibrium or kinetic adsorption model to determine the values of the average deposition rate coefficients. Pore-scale simulations are performed for three values of Péclet number, Pe = 0.05, 5 and 50. It is found that under unfavorable conditions, the nanoparticle deposition at pore scale is best described by an equilibrium model at low Péclet numbers (Pe = 0.05), and by a kinetic model at high Péclet numbers (Pe = 50). But, at an intermediate Pe (e.g., near Pe = 5), both equilibrium and kinetic models fit the 1-D concentration field. Correlation equations for the pore-averaged nanoparticle deposition rate coefficients under unfavorable conditions are derived by performing a multiple-linear regression analysis between the estimated deposition rate coefficients for a single pore and various pore-scale parameters. The correlation equations, which follow a power law relationship with nine pore-scale parameters, are found to be consistent with the column-scale and pore-scale experimental results, and qualitatively agree with CFT. Nanoparticle transport is upscaled from pore to the Darcy scale in saturated porous media by incorporating the correlations equations for the pore-averaged deposition rate coefficients of nanoparticles in a cylindrical pore into a multi-directional pore-network model, PoreFlow (Raoof et al., 2013). Pore-network model simulations are performed for a range of parameter values, and nanoparticle BTCs are obtained from the pore-network model. Those curves are then modeled using 1-D advection-dispersion equation with a two-site first-order reversible deposition, with terms accounting for both equilibrium and kinetic sorption. Kinetic sorption is found to become important as the favorability of the surface for deposition decreases. Correlation equations for the Darcy¬scale deposition rate coefficients under unfavorable conditions are developed as a function of various measurable Darcy-scale parameters, including: porosity, mean pore throat radius, mean pore water velocity, nanoparticle radius, ionic strength, dielectric constant, viscosity, temperature, and surface potentials on the nanoparticle and grain surface. The correlation equations are found to be consistent with the observed trends from the column experiments available in the literature, and are in agreement with CFT for all parameters, except for the mean pore water velocity and nanoparticle radius. The Darcy-scale correlation equations contain multipliers whose values for a given set of experimental conditions need to be determined by comparing the values of the deposition rate coefficients predicted by the correlation equations against the estimated values of Darcy-scale deposition parameters obtained by fitting the BTCs from column or field experiments with 1-D advection-dispersion-deposition model. They account for the effect of factors not considered in this study, such as the physical and chemical heterogeneity of the grain surface and nanoparticles, flow stagnation points, grain-to-grain contacts, etc. Colloids are abundant in the subsurface and have been observed to interact with a variety of contaminants, including viruses, thereby significantly influencing their transport. A mathematical model is developed to simulate the co-transport of viruses and colloids in partially saturated porous media under steady state flow conditions. The virus attachment to the mobile and immobile colloids is described using a linear reversible kinetic model. It is assumed that colloid transport is not affected by the presence of attached viruses on its surface, and hence, colloid transport is decoupled from virus transport. The governing equations are solved numerically using an alternating three-step operator splitting approach. The model is verified by fitting three sets of experimental data published in the literature: (1) Syngouna and Chrysikopoulos (2013) and (2) Walshe et al. (2010), both on the co-transport of viruses and clay colloids under saturated conditions, and (3) Syngouna and Chrysikopoulos (2015) for the co-transport of viruses and clay colloids under unsaturated conditions. The model results are found to be in good agreement with the observed BTCs under both saturated and unsaturated conditions. Then, the developed model was used to simulate the co-transport of viruses and colloids in porous media under unsaturated conditions, with the aim of understanding the relative importance of various processes on the co-transport of viruses and colloids. The virus retention in porous media in the presence of colloids is greater under unsaturated conditions as compared to the saturated conditions due to: (1) virus attachment to the air-water interface (AWI), and (2) co-deposition of colloids with attached viruses on its surface to the AWI. A sensitivity analysis of the model to various parameters showed that virus attachment to AWI is the most sensitive parameter affecting the BTCs of both free viruses and total mobile viruses, and has a significant effect on all parts of the BTC. The free and the total mobile virus BTCs are mainly influenced by parameters describing virus attachment to the AWI, virus interactions with mobile and immobile colloids, virus attachment to solid-water interface (SWI), and colloid interactions with SWI and AWI. The virus BTC is relatively insensitive to parameters describing the maximum adsorption capacity of the AWI for colloids, inlet colloid concentration, virus detachment rate coefficient from the SWI, maximum adsorption capacity of the AWI for viruses, and inlet virus concentration.

Afin de mieux comprendre les spécificités de l'écoulement des fluides en seuil en géométries confinées, nous avons opté pour une approche multi-échelle expérimentale et/ou numérique dans des milieux poreux complexes et modèles. Nous montrons qu'il est possible d'utiliser la RMN pour visualiser des écoulements de fluides à seuil en géométrie complexe. Dans un milieu poreux, il est également possible de mesurer la distribution statistique des vitesses, ceci sans problème de résolution spatiale, grâce à la méthodologie de réglage d'une expérience d'injection sous IRM que nous avons mise en place. A l'aide de ces techniques, nous montrons que l'écoulement d'un fluide à seuil dans un pore modèle (une expansion-contraction axisymétrique) se localise dans la partie centrale du pore, dans le prolongement du tube d'entrée, tandis que les régions extérieures restent dans le régime solide. Des simulations numériques confirment ces résultats et montrent que la localisation de l'écoulement provient du confinement engendré par la géométrie. A l'inverse, nous montrons que pour un fluide à seuil s'écoulant dans un milieu poreux réel (en trois dimensions), il n'existe pas de zones au repos. De plus, la distribution de vitesse est identique à celle d'un fluide newtonien. Une analyse de ces résultats nous permet de prédire la forme de la loi de Darcy pour les fluides à seuil et de comprendre l'origine physique des paramètres déterminés par des expériences d'injection « macroscopiques » / To better understand the specifics of the flow of yield stress fluids in confined geometries, we opted for a multi-scale experimental and / or numerical approach in complex and model porous media. We show the usefulness of NMR for the study of yield stress fluid's flows in complex geometry. In a porous medium, we can also measure the true probability density function of fluid velocities without spatial resolution problem thanks to a complete optimisation of the design process of a NMR-PGSE experiment. Using these measurement technics, we find that the flow of a yield stress fluid in a model pore (an axisymetric expansion-contraction) is localised in the central part of the pore, i.e. in the continuity of the entry duct, and the external region stay at rest in the solid regime. Numerical simulations confirm those results and point out that the flow localisation is due to the confinement caused by the geometry. On the contrary, no region at rest exists for a yield stress fluid flowing through a real porous media (in 3D). Furthermore, the velocity distribution is the same as a newtonian fluid. The analysis of the results makes it possible to deduce the form of the Darcy's law for yield stress fluids and provides an insight in the physical origin of the coefficients found by “macroscopical” injection experiments

L'accumulation du soluté à la surface d'une membrane entraîne le phénomène de polarisation de concentration. Ceci est un problème qui affecte tous les systèmes de filtration membranaire car il a pour effet une augmentation de la pression osmotique et par conséquence une réduction substantielle du flux de perméat. Afin de comprendre ce phénomène, nous avons d'abord mené une étude analytique de la filtration tangentielle en solvant pur prenant en compte de l'influence de la pression motrice locale sur le taux de perméation. Lors de cette étude, des solutions analytiques qui augmentent en précision avec l'ordre développé ont ete dérivées. Ensuite nous avons développé une approche analytique qui couple l'hydrodynamique aux transferts de matière pour le cas d'un système de filtration qui opère sous haute pression avec un taux de récupération faible. Dans le but d'intégrer à la fois la dépendance de la pression transmembranaire locale sur le flux de perméat et l'influence de la polarisation de concentration à travers leurs effets osmotiques sur la pression effective, nous avons développé un modèle numérique qui résout l'équation de conservation du soluté couplée aux équations de Navier-Stokes en régime stationnaire dans l'approximation de Prandtl. Nous avons validé cette approche grâce aux solutions analytiques précédemment dérivées. Ensuite, nous avons testé l'influence des principaux paramètres de fonctionnement sur la performance du système et comparé nos résultats avec ceux d'autres modèles numériques. Finalement, la pertinence du modèle a été quantitativement vérifiée grâce à des données tirées des expériences bien documentées en osmose inverse. / Concentration polarization of solute at the membrane surface, because of osmotic pressure effects, is an important phenomenon that can cause substantial reductions in permeation. To understand these phenomena: we first analyze the filtration process for a pure solvent, imposing the influence of the driving pressure on permeation at the membrane. We obtain accurate analytical solutions for the flow fields. We then derive an analytical solution that coupled hydrodynamics to mass transfer for filtration systems working in a situation of High Pressure and Low Recovery. Second, we develop a numerical model that incorporates both physical aspects: the dependency of pressure on permeation and the influence of concentration polarization and their related osmotic effects in the effective pressure at the membrane. For that, the numerical approach solves the solute conservation equation coupled with the Navier-Stokes equations under the steady Prandtl approximation. The solution of the system is performed using a finite difference method of order 2. The validity of this approach is successfully demonstrated with the previous analytical solutions for hydrodynamics, as well as for the coupling with mass transfer. We then test the influence of the main operating parameters (inlet concentration, axial flow rate, operating pressure and membrane permeability) on the performance of the filtration system and compare the results with other numerical models that takes into account concentration polarization phenomenon. Finally, the validity of this model is quantitatively well-proved when using the reported data resulting from reverse osmosis experiments.

We address two computational challenges for numerical simulations of Darcy flow problems: rough and uncertain data. The rapidly varying and possibly high contrast permeability coefficient for the pressure equation in Darcy flow problems generally leads to irregular solutions, which in turn make standard solution techniques perform poorly. We study methods for numerical homogenization based on localized computations. Regarding the challenge of uncertain data, we consider the problem of forward propagation of uncertainty through a numerical model. More specifically, we consider methods for estimating the failure probability, or a point estimate of the cumulative distribution function (cdf) of a scalar output from the model. The issue of rough coefficients is discussed in Papers I–III by analyzing three aspects of the localized orthogonal decomposition (LOD) method. In Paper I, we define an interpolation operator that makes the localization error independent of the contrast of the coefficient. The conditions for its applicability are studied. In Paper II, we consider time-dependent coefficients and derive computable error indicators that are used to adaptively update the multiscale space. In Paper III, we derive a priori error bounds for the LOD method based on the Raviart–Thomas finite element. The topic of uncertain data is discussed in Papers IV–VI. The main contribution is the selective refinement algorithm, proposed in Paper IV for estimating quantiles, and further developed in Paper V for point evaluation of the cdf. Selective refinement makes use of a hierarchy of numerical approximations of the model and exploits computable error bounds for the random model output to reduce the cost complexity. It is applied in combination with Monte Carlo and multilevel Monte Carlo methods to reduce the overall cost. In Paper VI we quantify the gains from applying selective refinement to a two-phase Darcy flow problem.

Dans cette thèse, nous étudions l'équation de la chaleur couplée avec la loi de Darcy à travers de la viscosité non-linéaire qui dépend de la température pour les dimensions d=2,3 (Hooman et Gurgenci ou Rashad). Nous analysons ce problème en introduisant la formulation variationnelle équivalente et en la réduisant à une simple équation de diffusion-convection pour la température où la vitesse dépend implicitement de la température.Nous démontrons l'existence de la solution sans la restriction sur les données par la méthode de Galerkin et du point fixe de Brouwer. L'unicité globale est établie une fois la solution est légèrement régulière et les données se restreignent convenablement. Nous introduisons aussi une formulation variationnelle alternative équivalente. Toutes les deux formulations variationnelles sont discrétisées par quatre schémas d'éléments finis pour un domaine polygonal ou polyédrique. Nous dérivons l'existence, l'unicité conditionnée, la convergence et l'estimation d'erreur a priori optimale pour les solutions des trois schémas. Par la suite, ces schémas sont linéarisés par des algorithmes d'approximation successifs et convergentes. Nous présentons quelques expériences numériques pour un problème modèle qui confirme les résultats théoriques de convergence développées dans ce travail. L'estimation d'erreur a posteriori est établie avec deux types d'indicateurs d'erreur de linéarisation et de discrétisation. Enfin, nous montrons des résultats numériques de validation. / In this thesis, we study the heat equation coupled with Darcy's law by a nonlinear viscosity depending on the temperature in dimension d=2,3 (Hooman and Gurgenci or Rashad). We analyse this problem by setting it in an equivalent variational formulation and reducing it to an diffusion-convection equation for the temperature where the velocity depends implicitly on the temperature.Existence of a solution is derived without restriction on the data by Galerkin's method and Brouwer's Fixed Point. Global uniqueness is established when the solution is slightly smoother and the dataare suitably restricted. We also introduce an alternative equivalent variational formulation. Both variational formulations are discretized by four finite element schemes in a polygonal or polyhedral domain. We derive existence, conditional uniqueness, convergence, and optimal a priori error estimates for the solutions of the three schemes. Next, these schemes are linearized by suitable convergent successive approximation algorithms. We present some numerical experiments for a model problem that confirm the theoretical rates of convergence developed in this work. A posteriori error estimates are established with two types of errors indicators related to the linearisation and discretization. Finally, we show numerical results of validation.

Conselho Nacional de Desenvolvimento Científico e Tecnológico / As simulações computacionais tem sido amplamente empregadas no estudo do escoamento darciano e não-darciano em meios porosos consolidados e não-consolidados. Neste trabalho, através de uma nova formulação para a equação de Forchheimer, foram identificadas duas novas propriedades denominados fator de comportamento do fluido, que atua paralelamente a permeabilidade, e permeabilidade equivalente global, resultado da relação anterior. Este comportamento foi estudado e validado através da implementação de um aparato experimental e um código computacional baseado no modelo de regressão-linear que, além disso, demonstrou que o escoamento, ainda que em regime não darciano, comporta-se linearmente como a equação de Darcy, ainda que o coeficiente angular desta diminuiu de acordo com a faixa do número de Reynolds atingida, sendo esta dependente do tipo de leito empregado. Ainda neste trabalho, foi implementado o método de otimização R2W para estimar os parâmetros da equação de Kozeny-Carman a partir de dados experimentais obtidos por Dias et al, a fim de simular o escoamento darciano em meios porosos. Por fim, foi alcançada excelente concordância entre os dados simulados pelo método R2W / equação de Kozeny-Carman e os dados reais. / Computer simulations have been widely used in the study of Darcys flow and non-Darcy porous media in consolidated and non-consolidated. In this work, through a new formulation for the Forchheimer equation, we have been identified two new called Fluid Factor Behavior properties, which acts parallel to permeability, and overall equivalent permeability result of the previous relationship. This behavior has been studied and validated through implementation of an experimental apparatus and a computer code based on the linear regression model, moreover, it demonstrated that flow, even in non darciano system behaves linearly as the Darcy, however, the slope of this decreased according to the range of Reynolds numbers reached, this being dependent on the type of bed used. Although this work was implemented R2W optimization method to estimate the parameters of Kozeny-Carman equation from experimental data provided in the literature in order to simulate the darciano flow in porous media. Finally, it achieved excellent agreement between the data simulated by R2W method / Kozeny-Carman equation and actual data.

Esta dissertação examina elementos formadores da identidade cultural gaúcha na obra No Galpão (1925), de Darcy Azambuja, com base em pressupostos teóricos do Imaginário Social. Para tanto, analisa os contos tendo em vista a representação da paisagem campeira, a distribuição dos papéis sociais, a relação entre patrão e peão, o contraste entre o masculino e o feminino, o confronto entre o rural e o urbano, e a afirmação de crenças e tradições populares. Este trabalho configura-se por meio de um diálogo interdisciplinar com a História, a Sociologia e a Antropologia. / Submitted by Marcelo Teixeira (mvteixeira@ucs.br) on 2014-05-21T19:20:05Z No. of bitstreams: 1 Dissertacao Dulcima Sangalli.pdf: 645439 bytes, checksum: 852d80fbe6561733b92e20b7fbe0e5f8 (MD5) / Made available in DSpace on 2014-05-21T19:20:05Z (GMT). No. of bitstreams: 1 Dissertacao Dulcima Sangalli.pdf: 645439 bytes, checksum: 852d80fbe6561733b92e20b7fbe0e5f8 (MD5) / This research examines the elements used to form the gaúcha cultural identity in the work by Darcy Azambuja, No Galpão (1925), based on the technical presuppositions of the Social Imaginary. Therefore, it analyses the short stories considering the representation of the rural landscape, the distribution of the social roles, the relationship between master and peon, the contrast between masculine and feminine, the confrontation between rural and urban, and the affirmation of beliefs and popular traditions. This work is presented through an interdisciplinary dialogue with History, Sociology and Antropology.

Conselho Nacional de Desenvolvimento Científico e Tecnológico / As simulações computacionais tem sido amplamente empregadas no estudo do escoamento darciano e não-darciano em meios porosos consolidados e não-consolidados. Neste trabalho, através de uma nova formulação para a equação de Forchheimer, foram identificadas duas novas propriedades denominados fator de comportamento do fluido, que atua paralelamente a permeabilidade, e permeabilidade equivalente global, resultado da relação anterior. Este comportamento foi estudado e validado através da implementação de um aparato experimental e um código computacional baseado no modelo de regressão-linear que, além disso, demonstrou que o escoamento, ainda que em regime não darciano, comporta-se linearmente como a equação de Darcy, ainda que o coeficiente angular desta diminuiu de acordo com a faixa do número de Reynolds atingida, sendo esta dependente do tipo de leito empregado. Ainda neste trabalho, foi implementado o método de otimização R2W para estimar os parâmetros da equação de Kozeny-Carman a partir de dados experimentais obtidos por Dias et al, a fim de simular o escoamento darciano em meios porosos. Por fim, foi alcançada excelente concordância entre os dados simulados pelo método R2W / equação de Kozeny-Carman e os dados reais. / Computer simulations have been widely used in the study of Darcys flow and non-Darcy porous media in consolidated and non-consolidated. In this work, through a new formulation for the Forchheimer equation, we have been identified two new called Fluid Factor Behavior properties, which acts parallel to permeability, and overall equivalent permeability result of the previous relationship. This behavior has been studied and validated through implementation of an experimental apparatus and a computer code based on the linear regression model, moreover, it demonstrated that flow, even in non darciano system behaves linearly as the Darcy, however, the slope of this decreased according to the range of Reynolds numbers reached, this being dependent on the type of bed used. Although this work was implemented R2W optimization method to estimate the parameters of Kozeny-Carman equation from experimental data provided in the literature in order to simulate the darciano flow in porous media. Finally, it achieved excellent agreement between the data simulated by R2W method / Kozeny-Carman equation and actual data.

Esta dissertação examina elementos formadores da identidade cultural gaúcha na obra No Galpão (1925), de Darcy Azambuja, com base em pressupostos teóricos do Imaginário Social. Para tanto, analisa os contos tendo em vista a representação da paisagem campeira, a distribuição dos papéis sociais, a relação entre patrão e peão, o contraste entre o masculino e o feminino, o confronto entre o rural e o urbano, e a afirmação de crenças e tradições populares. Este trabalho configura-se por meio de um diálogo interdisciplinar com a História, a Sociologia e a Antropologia. / This research examines the elements used to form the gaúcha cultural identity in the work by Darcy Azambuja, No Galpão (1925), based on the technical presuppositions of the Social Imaginary. Therefore, it analyses the short stories considering the representation of the rural landscape, the distribution of the social roles, the relationship between master and peon, the contrast between masculine and feminine, the confrontation between rural and urban, and the affirmation of beliefs and popular traditions. This work is presented through an interdisciplinary dialogue with History, Sociology and Antropology.

L'objectif de cette thèse est de fournir des modèles et des outils de simulation pour décrire les échanges de masse entre les circuits de ventilation (galeries) et les milieux poreux des ouvrages souterrains d'enfouissement des déchets nucléaires. La modélisation prend en compte le couplage à l'interface poreux-galerie entre les écoulements liquide gaz compositionnels dans le milieu poreux constituant le stockage et les écoulements gazeux compositionnels dans le milieu galerie libre. / The objective of this thesis is to develop models and algorithms to simulate efficiently the mass exchanges occurring at the interface between the nuclear waste deep geological repositories and the ventilation excavated galleries. To model such physical processes, one needs to account in the porous medium for the flow of the liquid and gas phases including the vaporization of the water component in the gas phase and the dissolution of the gaseous components in the liquid phase. In the free flow region, a single phase gas free flow is considered assuming that the liquid phase is instantaneously vaporized at the interface. This gas free flow has to be compositional to account for the change of the relative humidity in the free flow region which has a strong feedback on the liquid flow rate at the interface.