Depuis de nombreuses années, le givrage a été identifié comme un danger dans le domaine de l’aéronautique.L’accrétion de givre se produit lorsque des gouttelettes d’eau surfondue se déposent sur une surface, enparticulier le bord d’attaque d’une aile ou la lèvre d’entrée d’air moteur, et gèlent après l’impact. Ceci peutensuite engendrer une dégradation des performances aérodynamiques, un dysfonctionnement des sondes ouencore un endommagement du moteur. C’est pourquoi cette problématique est étudiée avec attention. Lesessais en vol et en soufflerie étant longs et coûteux, la simulation numérique de l’accrétion de givre est devenueun outil nécessaire dans le processus de conception et de certification des avions. Cette thèse s’inscrit dans le contexte de la modélisation 3D de l’accrétion de givre, et plus particulièrement des couches limites dynamique et thermique qui se développent autour du corps givré. Les outils numériques devant être rapides et robustes, l’approche proposée dans cette thèse pour le calcul aérodynamique est une méthode couplée Euler/couche limite intégrale. Ainsi, un modèle intégral est développé pour représenterle développement de la couche limite dynamique. La partie thermique est modélisée soit par une méthodesimplifiée basée sur des approches algébriques, soit par une méthode intégrale. Cette modélisation des coucheslimites dynamique et thermique est valable sur paroi lisse ou rugueuse et permet de fournir notamment lecoefficient de frottement et le coefficient d’échange thermique qui sont nécessaires pour un calcul d’accrétion degivre. Les équations intégrales de couche limite, associées à leurs relations de fermeture, sont ensuite résoluespar une méthode Volumes-Finis sur maillage surfacique non structuré, qui est bien adaptée pour les géométriescomplexes. De plus, des traitements numériques spécifiques sont mis en œuvre pour améliorer la précision dela méthode au voisinage du point d’arrêt et pour rendre le code robuste au passage du décollement.Après la validation de la méthode de couche limite, le code est utilisé dans les chaînes de givrage 2D et 3Dde l’ONERA pour des applications d’accrétion de givre. Ceci permet de montrer l’intérêt de la méthode entermes de robustesse et de précision par rapport aux codes de couche limite habituellement utilisés dans lescodes de givrage actuels. / Icing has since long been identified as a serious issue in the aeronautical world. Ice accretion occurs whensupercooled water droplets impinge on a surface, particularly the leading edge of a wing or an engine inlet, andfreeze after the impingement. This can lead to degradation of aerodynamic performances, sensor malfunctionor engine damage. This is why this issue is being carefully studied. The lengthy and costly flight and windtunnel tests have made numerical simulation of ice accretion a necessary tool in the aircraft design andcertification process. The present work deals with the 3D numerical modeling of ice accretion, and more particularly the modeling of the dynamic and thermal boundary layers that develop around an iced body. Since numerical tools must befast and robust, the approach proposed in this thesis for aerodynamic computation is a coupled Euler/integralboundary layer method. Thus, an integral model is developed to represent the development of the dynamicboundary layer. The thermal part is modeled either by a simplified method based on algebraic approaches,or by an integral method. This modeling of the dynamic and thermal boundary layers is valid on smoothor rough walls and provides the friction coefficient and heat exchange coefficient that are necessary for thecalculation of ice accretion. The integral boundary layer equations, associated with their closure relations,are then solved by a Finite-Volume method on unstructured surface mesh, that is well suited for complexgeometries. In addition, specific numerical treatments are implemented to improve the accuracy of the methodin the vicinity of the stagnation point and to make the code robust to separated boundary layers.After validation of the boundary layer method, the code is used in ONERA’s 2D and 3D icing tools foricing applications. This demonstrates the value of the method in terms of robustness and accuracy comparedto the boundary layer codes more commonly used in current icing tools.

Dans ce travail, on s'intéresse aux méthodes numériques d'ordre élevé pour des écoulements instationnaires autour de géométries complexes. On commence par analyser l'approche hybride pour la méthode industrielle des Volumes Finis à l'ordre faible. Cela consiste à calculer en même temps sur des maillages structurés et non structurés avec des schémas numériques dédiés. Les maillages structurés et non structurés sont ensuite couplés par un raccord non conforme. Ce dernier est analysé en détails avec une attention particulière pour des écoulements instationnaires. On montre qu'un traitement dédié à l'interface empêche la réflexion d'ondes parasites. De plus, l'approche hybride est validée sur plusieurs cas académiques à la fois pour les flux convectifs et pour les flux diffusifs. L'extension de cette approche hybride à l'ordre élevé est limitée par l'efficacité des schémas non structurés d'ordre élevé en terme de temps de calcul. C'est pourquoi une nouvelle approche est explorée : la méthode des différences spectrales. Un nouveau cadre est spécialement développé pour réaliser l'analyse spectrale des méthodes spectrales discontinues. La méthode des différences spectrales semble être une alternative viable en terme de temps de calcul et de nombre de points par longueur d'onde nécessaires à une application donnée pour capturer la physique de l'écoulement. / This work deals with high-order numerical methods for unsteady flows around complex geometries. In order to cope with the low-order industrial Finite Volume Method, the proposed technique consists in computing on structured and unstructured zones with their associated schemes: this is called a hybrid approach. Structured and unstructured meshes are then coupled by a nonconforming grid interface. The latter is analyzed in details with special focus on unsteady flows. It is shown that a dedicated treatment at the interface avoids the reflection of spurious waves. Moreover, this hybrid approach is validated on several academic test cases for both convective and diffusive fluxes. The extension of this hybrid approach to high-order schemes is limited by the efficiency of unstructured high-order schemes in terms of computational time. This is why a new approach is explored: The Spectral Difference Method. A new framework is especially developed to perform the spectral analysis of Spectral Discontinuous Methods. The Spectral Difference Method seems to be a viable alternative in terms of computational time and number of points per wavelength needed for a given application to capture the flow physics.

Le Disjoncteur Basse-Tension (DBT) est un appareil classique de la distribution électrique depuis plus de cinquante ans. Mais aujourd'hui, avec l'arrivée de produits bas-coût fabriqués dans les pays émergents, les industriels sont soumis à une forte pression pour développer de nouveaux systèmes moins encombrants, utilisant d'autres matériaux, ou incorporant davantage de fonctionnalités. Cette recherche est très compliquée dans la mesure où le DBT est un système hautement multi-physique (mécanique, thermique, physique des matériaux, physique des plasmas, ...). De fait, le développement de nouveaux produits passe par un processus empirique long et coûteux. Cet effort pourrait être réduit par l'utilisation de modèles prédictifs permettant d'arriver plus vite à un système fonctionnel. De nos jours, avec l'augmentation des moyens de résolution numérique, de plus en plus de travaux portent sur la description multi-physique en 3D du DBT et notamment sur la chambre de coupure ou l'arc électrique est amorcé, se déplace et doit être éteint, l'objet de nôtre étude. Le travail de cette thèse se divise en deux axes complémentaires : le développement d'un modèle fluide 3D en méthode des volumes finis simulant l'arc électrique et son déplacement dans la chambre de coupure; ainsi que la mise en place d'un dispositif expérimental permettant d'analyser le phénomène physique en œuvre. Pour ces deux points la problématique est abordée dans une configuration simplifiée de DBT où l'arc se déplace entre deux rails parallèles dans une chambre parallélépipédique. Basé sur le savoir-faire du groupe AEPPT, un modèle numérique est établi pour simuler le plasma thermique. Les particularités de ce modèle, du fait de l'application, sont la nécessité d'une résolution précise du champ magnétique en utilisant le calcul de Biot & Savart pour les conditions limites ainsi que l'utilisation de méthodes permettant le déplacement et la commutation de l'arc. La validation de ce modèle se fera à géométrie similaire par confrontation avec l'expérience. En s'inspirant de précédents travaux nous avons réalisé une maquette expérimentale composée d'un réacteur faisant office de chambre de coupure et d'un mécanisme permettant l'amorçage de l'arc dans le réacteur par ouverture rotative du contact à vitesse contrôlée. D'autres paramètres modifiables sont la taille du réacteur ainsi que les matériaux qui le constituent. Les diagnostiques disponibles en plus de la mesure de courant et de tension sont l'imagerie rapide et la mesure de pression en différents points de la chambre de coupure. Notre expérience est utile pour la réalisation d'études paramétriques en découplant facilement les paramètres. En outre, par la mise en évidence des phénomènes prépondérants, notre maquette aide à la mise en place du modèle en plus de permettre sa validation expérimentale. Cette thèse est donc une étape cruciale vers la mise en place d'un modèle prédictif. / Low-Voltage Circuit Breakers (LVCB) are classical apparatuses of electrical distribution since more than fifty years. But nowadays, with the outbreak of low-cost products from the developing countries, industry is under a strong stress in order to improve their devices by making them more compact, using different materials or to implement new functionalities. This research is harsh since LVCB are highly multiphysics systems (mechanics, thermal properties, materials, plasma physics, ...). Therefore, developing new products goes through a long and expensive empirical process. Those efforts could be reduced by using predictive models allowing to get faster to a functional device. With the improvements of the numerical solution capacity, there are more and more works toward the 3D multiphysical description of the LVCB, especially on the extinction chamber where the electrical arc is ignited, moved and must be quenched. This is the subject of our work. The study described here is divided in two complementary parts: development of a 3D fluid model with finite volume method simulating the electrical arc and its movement inside the arc extinction chamber; and the set-up of experimental means to analyse this physical phenomenon. For those two points, we use a simplified LVCB configuration with an arc moving between two parallel rails inside a rectangular box chamber. Based on AEPPT's know-how, a numerical model is established to simulate thermal plasma. Particularities on this model, due to the application, are the resolution of Biot&Savart law to calculate precisely the magnetic field for the boundary condition and the development of methods to model the arc roots movement and commutation of the arc from the moving contact to the rail. Validation of this model will be done with the same geometry by confrontation with the experiment. Inspired by precedent works we designed a test apparatus with a reactor representing the extinction chamber of the LVCB and an opening mechanism allowing arc ignition by contact opening at a specified speed. Other parameters such as size of the chamber and materials can be modified. Measurements will include high speed imaging and pressure acquisition in several points of the reactor in addition to the classical current and voltage measurements. This experiment is useful for parametric studies with its easy uncoupling of the parameters. Moreover, by highlighting the dominating phenomena for arc movement, this set-up helps in the build-up of the model over and above the experimental validation.

O presente trabalho trata de construir um modelo computacional utilizando o método dos volumes finitos para malhas não-estruturadas, a fim de se calcular a carga hidráulica num meio poroso, considerando este meio não homogêneo e anisotrópico. A anisotropia é uma característica de muitos materiais encontrados na natureza e depende da propriedade estudada no meio. Primeiramente apresenta-se a dedução da equação do transporte advectivo dispersivo e a formulação matemática para a equação de Laplace, esta última utilizada para o cálculo da carga hidráulica. Em seguida, apresenta-se o algoritmo de solução de um programa computacional em linguagem C++ que permite calcular a velocidade do fluxo em cada face de um volume de controle. Finalmente são feitos vários testes para validação do código computacional utilizado, o que levou a crer que o método utilizado é eficaz para os tipos de malhas testados, apresentando algumas diferenças quanto ao erro da solução. / The present work build a computational model using the finite volumes method for unstructured meshes, with the purpose of calculating the hydraulic load in a porous medium, considering it material non - homogeneous and anisotropic. The Anisotropy is a characteristic of many materials found in the nature and it depends on the property studied in this material. First, we present the deduction of the equation of advective-dispersive transport and the mathematical formulation for the Laplaces equation, this last one used for the calculation of the hydraulic load. Soon afterwards, we present the solution algorithm of a computational program in the C++ language that allows to calculate the speed of the flow in each face of the control volume. Finally several tests for validation of the code are made, which makes it that the plausible to assume method is effective for the types of meshes tested, presenting some differences for the wrong solution.

Fundação de Amparo à Pesquisa do Estado do Rio de Janeiro / A Amazônia exibe uma variedade de cenários que se complementam. Parte desse ecossistema sofre anualmente severas alterações em seu ciclo hidrológico, fazendo com que vastos trechos de floresta sejam inundados. Esse fenômeno, entretanto, é extremamente importante para a manutenção de ciclos naturais. Neste contexto, compreender a dinâmica das áreas alagáveis amazônicas é importante para antecipar o efeito de ações não sustentáveis. Sob esta motivação, este trabalho estuda um modelo de escoamento em áreas alagáveis amazônicas, baseado nas equações de Navier-Stokes, além de ferramentas que possam ser aplicadas ao modelo, favorecendo uma nova abordagem do problema. Para a discretização das equações é utilizado o Método dos Volumes Finitos, sendo o Método do Gradiente Conjugado a técnica escolhida para resolver os sistemas lineares associados. Como técnica de resolução numérica das equações, empregou-se o Método Marker and Cell, procedimento explícito para solução das equações de Navier-Stokes. Por fim, as técnicas são aplicadas a simulações preliminares utilizando a estrutura de dados Autonomous Leaves Graph, que tem recursos adaptativos para manipulação da malha que representa o domínio do problema / Amazon exhibits a variety of scenarios that complement each other. Yearly, part of this ecosystem suffers severe changes in its hydrological cycle, causing flood through vast stretches of the forest. This phenomenon, however, is extremely important for the maintenance of natural cycles. In this context, understanding the Amazonian floodplains dynamics is important to anticipate the effect of unsustainable actions. Under this motivation, this work presents a study of an Amazonian floodplains flow model, based on Navier-Stokes equations, besides other tools that can be applied to the model, thus leading to a new approach to the problem. To discretize the model equations the Finite Volume Method was employed. To solve the associated linear systems the Conjugate Gradient Method technique was chosen. For numerical solution of the equations, the Marker and Cell Method, a explicit solution procedure for Navier-Stokes equations, was employed. All these techniques are applied to preliminary simulations using the Autonomous Leaves Graph algorithm which has adaptive features to manipulate the domain grid problem

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / Neste trabalho estudamos a dependência com o tamanho do sistema dos observáveis relacionados com a transição de fase de 1 ordem do rupo de calibre Z(2) em 4 dimensões. Foram realizadas simulações de Monte Carlo numa rede cúbica para diferentes valores da aresta, utilizando o método do Banho Térmico para sortear os elementos do grupo na rede. / In this work we study the dependence of the observable related to the size of the system to the phase transition of first order of the Z(2) gauge group in 4 dimensions. Monte Carlo simulations were performed on a cubic lattice for different values of the edge, using the method of the Heat Bath to randomize the group members in the lattice.

The hyperbolic conservation laws model the phenomena of nonlinear waves including discontinuities. The coupled nonlinear equations representing such conservation laws may lead to discontinuous solutions even for smooth initial data. To solve such equations, developing numerical methods which are accurate, robust, and resolve all the wave structures appearing in the solutions is a challenging task. Among several discretization techniques developed for solving hyperbolic conservation laws numerically, Finite Volume Method (FVM) is the most popular. Numerical algorithms, in the framework of FVM, are broadly classified as upwind and central discretization methods. Upwind methods mimic the features of hyperbolic conservation laws very well. However, most of the popular upwind schemes are known to suffer from the shock instabilities. Many upwind methods are heavily dependent on eigen-structure, therefore methods developed for one system of conservation laws are not straightforwardly extended to other systems. On the contrary, central discretization methods are simple, independent of eigen-structure, and therefore, are easily extended to other systems. In the first part of the thesis, a hybrid central discretization method is introduced for Euler equations of gas dynamics. This hybrid scheme is then extended to other hyperbolic conservation laws namely, shallow water equations of oceanography and ideal magnetohydrodynamics equations. The baseline solver for the new hybrid scheme, Method of Optimal Viscosity for Enhanced Resolution of Shocks (MOVERS), is an accurate scheme capable of capturing grid aligned steady discontinuities exactly. This central scheme is free from complicated Riemann solvers and therefore is easy to implement. This low diffusive algorithm produces sonic glitches at the expansion regions involving sonic points and is prone to shock instabilities. Therefore it requires an entropy fix to avoid these problems. With the use of entropy fix the exact discontinuity capturing property of the scheme is lost, although sonic glitches and shock instabilities are avoided. The motivation for this work is to develop a numerical method which exactly preserves the steady contacts, is accurate, free of multi-dimensional shock instabilities and yet avoids the entropy fix. This is achieved by constructing a coefficient of numerical diffusion based on pressure gradient sensor. The pressure gradients are known to detect shocks and they vanish across contact discontinuities. This property of pressure sensor is utilized in constructing the coefficient of numerical diffusion. In addition to the numerical diffusion of the baseline solver, a numerical diffusion based on the pressure sensor, scaled by the maximum of eigen-spectrum, is used to avoid shock instabilities. At contact discontinuities, pressure gradients vanish and coefficient of numerical diffusion of MOVERS is automatically retained to capture steady contact discontinuities exactly. This simple hybrid central solver is accurate, captures steady contact discontinuities exactly and is free of multi-dimensional shock instabilities. This novel method is extended to shallow water and ideal magnetohydrodynamics equations in a similar way. In the second part of the thesis, an entropy stable central discretization method for hyperbolic conservation laws is introduced. In a quest for optimal numerical viscosity, development of entropy stable schemes gained importance in recent times. In this work, the entropy conservation equation is used as a guideline to fix the coefficient of numerical diffusion for smooth regions of the flow. At the large gradients, coefficient of numerical diffusion of baseline solver is used. Switch over between smooth and large gradients of the flow is done using limiter functions which are known to distinguish between smooth and high gradient regions of the flow. This simple and stable central scheme termed MOVERS-LE captures grid aligned steady discontinuities exactly and is free of shock instabilities in multi-dimensions. Both the above algorithms are tested on various well established benchmark test problems.

Les simulateurs industriels deviennent de plus en plus complexes car ils doivent intégrer de façon performante des modèles physiques complets et des méthodes de discrétisation évoluées. Leur mise au point nécessite de gérer de manière efficace la complexité des modèles physiques sous-jacents, la complexité des méthodes numériques utilisées, la complexité des services numériques de bas niveau nécessaires pour tirer parti des architectures matérielle modernes et la complexité liée aux langages informatiques. Une réponse partielle au problème est aujourd'hui fournie par des plate-formes qui proposent des outils avancés pour gérer de façon transparente la complexité liée au parallélisme. Cependant elles ne gèrent que la complexité du matériel et les services numériques de bas niveau comme l'algèbre linéaire. Dans le contexte des méthodes Éléments Finis (EF), l'existence d'un cadre mathématique unifié a permis d'envisager des outils qui permettent d'aborder aussi la complexité issue des méthodes numériques et celle liée aux problèmes physiques, citons, par exemple, les projets Freefem++, Getdp, Getfem++, Sundance, Feel++ et Fenics. Le travail de thèse a consisté à étendre cette approche aux méthodes d'ordre bas pour des systèmes d'EDPs, méthodes qui souffraient jusqu'à maintenant d'une absence d'un cadre suffisamment général permettant son extension à des problèmes différents. Des travaux récents ont résolue cette difficulté, par l'introduction d'une nouvelle classe de méthodes d'ordre bas inspirée par les éléments finis non conformes. Cette formulation permet d'exprimer dans un cadre unifié les schémas VF multi-points et les méthodes DFM/VFMH. Ce nouveau cadre a permis la mise au point d'un langage spécifique DSEL en C++ qui permet de développer des applications avec un haut niveau d'abstraction, cachant la complexité des méthodes numériques et des services bas niveau garanties de haute performances. La syntaxe et les techniques utilisées sont inspirée par celles de Feel++. Le DSEL a été développé à partir de la plate-forme Arcane, et embarqué dans le C++. Les techniques de DSEL permettent de représenter un problème et sa méthode de résolution avec une expression, parsée à la compilation pour générer un programme, et évaluée à l'exécution pour construire un système linéaire que l'on peut résoudre pour trouver la solution du problème. Nous avons mis au point notre DSEL à l'aide d'outils standard issus de la bibliothèque Boost puis l'avons validé sur divers problèmes académiques non triviaux tels que des problèmes de diffusion hétérogène et le problème de Stokes. Dans un deuxième temps, dans le cadre du projet ANR HAMM (Hybrid Architecture and Multiscale Methods), nous avons validé notre approche en complexifiant le type de méthodes abordées et le type d'architecture matérielle cible pour nos programmes. Nous avons étendu le formalisme mathématique sur lequel nous nous basons pour pouvoir écrire des méthodes multi-échelle puis nous avons enrichi notre DSEL pour pouvoir implémenter de telles méthodes. Afin de pouvoir tirer partie de façon transparente des performances de ressources issues d'architectures hybrides proposant des cartes graphiques de type GPGPU, nous avons mis au point une couche abstraite proposant un modèle de programmation unifié qui permet d'accéder à différents niveaux de parallélisme plus ou moins fin en fonction des spécificités de l'architecture matérielle cible. Nous avons validé cette approche en évaluant les performances de cas tests utilisant des méthodes multi-échelle sur des configurations variés de machines hétérogènes. Pour finir nous avons implémenté des applications variées de type diffusion-advection-réaction, de Navier-Stokes incompressible et de type réservoir. Nous avons validé la flexibilité de notre approche et la capacité qu'elle offre à appréhender des problèmes variés puis avons étudié les performances des diverses implémentations. / Industrial simulation software has to manage : the complexity of the underlying physical models, usually expressed in terms of a PDE system completed with algebraic closure laws, the complexity of numerical methods used to solve the PDE systems, and finally the complexity of the low level computer science services required to have efficient software on modern hardware. Nowadays, this complexity management becomes a key issue for the development of scientific software. Some frameworks already offer a number of advanced tools to deal with the complexity related to parallelism in a transparent way. However, all these frameworks often provide only partial answers to the problem as they only deal with hardware complexity and low level numerical complexity like linear algebra. High level complexity related to discretization methods and physical models lack tools to help physicists to develop complex applications. New paradigms for scientific software must be developed to help them to seamlessly handle the different levels of complexity so that they can focus on their specific domain. Generative programming, component engineering and domain-specific languages (either DSL or DSEL) are key technologies to make the development of complex applications easier to physicists, hiding the complexity of numerical methods and low level computer science services. These paradigms allow to write code with a high level expressive language and take advantage of the efficiency of generated code for low level services close to hardware specificities. In the domain of numerical algorithms to solve partial differential equations, their application has been up to now limited to Finite Element (FE) methods, for which a unified mathematical framework has been existing for a long time. Such kinds of DSL have been developed for finite element or Galerkin methods in projects like Freefem++, Getdp, Getfem++, Sundance, Feel++ and Fenics. A new consistent unified mathematical frame has recently emerged and allows a unified description of a large family of lowest-order methods. This framework allows then, as in FE methods, the design of a high level language inspired from the mathematical notation, that could help physicists to implement their application writing the mathematical formulation at a high level. We propose to develop a language based on that frame, embedded in the C++ language. Our work relies on a mathematical framework that enables us to describe a wide family of lowest order methods including multiscale methods based on lowest order methods. We propose a DSEL developed on top of Arcane platform, based on the concepts presented in the unified mathematical frame and on the Feel++ DSEL. The DSEL is implemented with the Boost.Proto library by Niebler, a powerful framework to build a DSEL in C++. We have proposed an extension of the computational framework to multiscale methods and focus on the capability of our approach to handle complex methods.Our approach is extended to the runtime system layer providing an abstract layer that enable our DSEL to generate efficient code for heterogeneous architectures. We validate the design of this layer by benchmarking multiscale methods. This method provides a great amount of independent computations and is therefore the kind of algorithms that can take advantage efficiently of new hybrid hardware technology. Finally we benchmark various complex applications and study the performance results of their implementations with our DSEL.

Made available in DSpace on 2016-06-02T19:56:42Z (GMT). No. of bitstreams: 1 3506.pdf: 2271432 bytes, checksum: fc1d05123fb3be32395a9e84b2da5ad8 (MD5) Previous issue date: 2011-02-25 / Universidade Federal de Sao Carlos / This work investigated numerical methods in the solution of mathematical models of fixed-bed reactors. For the reactors modeling and simulation, two numerical methods were used: sequencing method (SM) and finite volume method (FVM). There were also proposed two mathematical models: the pseudo-homogeneous model and the dimensionless one, which is based on the Peclet (Pe) and Biot (Bi) numbers. A horizontal-flow anaerobic immobilized sludge (HAIS) reactor developed in bench scale and after a scale-up, reducing the COD in the wastewater treatment was simulated by sequencing method, varying the numbers of mesh; a tubular fixed-bed reactor with biomass immobilized for the startup period of lactic acid fermentation, also simulated by sequencing method and compared with experimental data; and was also evaluated the precision of sequencing and finite volume methods over the reactor s profile, varying the Peclet e Biot numbers. The models development was based on studies about hydrodynamics and biochemistry kinetics. Both methods described satisfactorily the behavior of the reactors in the performed simulations, but in high values of Peclet, the finite volume method generated inadequacies such as oscillatory responses and over the limit. This paper is an elucidation to sequencing method, which besides its huge range and simplicity, still is not so studied neither known, because it s a recent method. / Este trabalho investigou metodos numericos na solucao de modelos matematicos para reatores de leito fixo. Para a modelagem e simulacao dos reatores, foram utilizados dois metodos numericos: metodo da sequencia (SM) e metodo dos volumes finitos (FVM). Foram propostos dois modelos matematicos: o pseudo-homogeneo e o adimensional, sendo este ultimo baseado nos numeros de Peclet (Pe) e Biot (Bi). Um reator anaerobio horizontal de leito fixo (RAHLF) desenvolvido inicialmente em escala de bancada e posterior aumento de escala na reducao da DQO de aguas residuarias foi simulado pelo metodo da sequencia, variando-se o numero de malhas; um reator tubular de leito fixo com biomassa anaerobia imobilizada no periodo da partida da fermentacao de acido latico, tambem simulado pelo metodo da sequencia e comparado com dados experimentais; e avaliou-se a precisao dos metodos da sequencia e dos volumes finitos sobre o perfil da concentracao de um reator, variando-se os valores de Peclet e Biot. O desenvolvimento dos modelos foi baseado em estudos sobre caracteristicas hidrodinamicas do sistema e de cinetica bioquimica. Ambos os metodos descreveram satisfatoriamente o comportamento dos reatores nas simulacoes realizadas, porem em valores elevados de Peclet, o metodo dos volumes finitos gerou inadequacoes como respostas oscilatorias e superiores ao limite. Este trabalho foi uma elucidacao ao metodo da sequencia, que apesar da sua grande abrangencia e simplicidade, por ser um metodo recente, ainda e pouco estudado e conhecido.

O presente trabalho trata de construir um modelo computacional utilizando o método dos volumes finitos para malhas não-estruturadas, a fim de se calcular a carga hidráulica num meio poroso, considerando este meio não homogêneo e anisotrópico. A anisotropia é uma característica de muitos materiais encontrados na natureza e depende da propriedade estudada no meio. Primeiramente apresenta-se a dedução da equação do transporte advectivo dispersivo e a formulação matemática para a equação de Laplace, esta última utilizada para o cálculo da carga hidráulica. Em seguida, apresenta-se o algoritmo de solução de um programa computacional em linguagem C++ que permite calcular a velocidade do fluxo em cada face de um volume de controle. Finalmente são feitos vários testes para validação do código computacional utilizado, o que levou a crer que o método utilizado é eficaz para os tipos de malhas testados, apresentando algumas diferenças quanto ao erro da solução. / The present work build a computational model using the finite volumes method for unstructured meshes, with the purpose of calculating the hydraulic load in a porous medium, considering it material non - homogeneous and anisotropic. The Anisotropy is a characteristic of many materials found in the nature and it depends on the property studied in this material. First, we present the deduction of the equation of advective-dispersive transport and the mathematical formulation for the Laplaces equation, this last one used for the calculation of the hydraulic load. Soon afterwards, we present the solution algorithm of a computational program in the C++ language that allows to calculate the speed of the flow in each face of the control volume. Finally several tests for validation of the code are made, which makes it that the plausible to assume method is effective for the types of meshes tested, presenting some differences for the wrong solution.