Master of Science / In vivo many forms of glia utilise both intercellular and extracellular pathways in the form of IP3 permeable gap junctions and cytoplasmic ATP diffusion to produce calcium waves. We introduce a model of ATP and Ca2+ waves in clusters of glial cells in which both pathways are included. Through demonstrations of its capacity to replicate the results of existing theoretical models of individual pathways and to simulate experimental observations of retinal glia the validity of the model is confirmed. Characteristics of the waves resulting from the inclusion of both pathways are identified and described.

Master of Science / In vivo many forms of glia utilise both intercellular and extracellular pathways in the form of IP3 permeable gap junctions and cytoplasmic ATP diffusion to produce calcium waves. We introduce a model of ATP and Ca2+ waves in clusters of glial cells in which both pathways are included. Through demonstrations of its capacity to replicate the results of existing theoretical models of individual pathways and to simulate experimental observations of retinal glia the validity of the model is confirmed. Characteristics of the waves resulting from the inclusion of both pathways are identified and described.

The shallow water system plays an important role in the numerical simulation of oceanic models, coastal flows and dam-break floods. Several kinds of source terms can be taken into account in this model, such as the influence of bottom topography, Manning friction effects and Coriolis force. For large scale oceanic phenomena, the Coriolis force due to the Earth’s rotation plays a central role since the atmospheric or oceanic circulations are frequently observed around the so-called geostrophic equilibrium which corresponds to the balance between the pressure gradient and the Coriolis source term. The ability of numerical schemes to well capture the lake at rest, has been widely studied. However, the geostrophic equilibrium issue, including the divergence free constraint on the velocity, is much more complex and only few works have been devoted to its preservation. In this manuscript, we design finite volume schemes that preserve the discrete geostrophic equilibriuminordertoimprovesignificantlytheaccuracyofnumericalsimulationsofperturbations around this equilibrium. We first develop collocated and staggered schemes on rectangular and triangular meshes for a linearized model of the original shallow water system. The crucial common point of the various methods is to adapt and combine several strategies known as the Apparent Topography, the Low Mach and the Divergence Penalisation methods, in order to handle correctly the numerical diffusions involved in the schemes on different cell geometries, so that they do not destroy geostrophic equilibria. Finally, we extend these strategies to the non-linear case and show convincing numerical results. / Le système de Saint-Venant joue un rôle important dans la simulation de modèles océaniques, d’écoulements côtiers et de ruptures de barrages. Plusieurs sortes de termes sources peuvent être pris en compte dans ce modèle, comme la topographie, les effets de friction de Manning et la force de Coriolis. Celle-ci joue un rôle central dans les phénomènes à grande échelle spatiale car les circulations atmosphériques ou océaniques sont souvent observées autour de l’équilibre géostrophique qui correspond à l’équilibre du gradient de pression et de cette force. La capacité des schémas numériques à bien reproduire le lac au repos a été largement étudiée; en revanche, la question de l’équilibre géostrophique (incluant la contrainte de vitesse à divergence nulle) est beaucoup plus complexe et peu de travaux lui ont été consacrés. Dans cette thèse, nous concevons des schémas volumes finis qui préservent les équilibres géostrophiques discrets dans le but d’améliorer significativement la précision des simulations numériques de perturbations autour de ces équilibres. Nous développons tout d’abord des schémas colocalisés et décalés sur des maillages rectangulaires ou triangulaires pour une linéarisation du modèle d’origine. Le point commun décisif de ces méthodes est d’adapter et de combiner les stratégies dites "topographie apparente", "bas Mach" et "pénalisation de divergence" pour contrôler l’effet de la diffusion numérique contenue dans les schémas, de telle sorte qu’elle ne détruise pas les équilibres géostrophiques. Enfin, nous étendons ces stratégies au cas non-linéaire et montrons des résultats prometteurs.

Orientador: Hélio Aparecido Navarro / Banca: Vicente Luiz Scalon / Banca: Luben Cabezas Gomez / Resumo: No presente trabalho desenvolve-se um estudo de modelagem matemática e simulação numérica do escoamento bifásico gás-sólido em leito fluidizado borbulhante. Utiliza-se o modelo Euleriano de duas fases separadas formulando o tensor das tensões da fase sólida através da teoria cinética dos escoamentos granulares. As simulações numéricas são realizadas através do código fonte MFIX (Multiphase Flow with Interphase eXchanges) desenvolvido no NETL (National Energy Technology Laboratory). Os resultados de simulação numérica são avaliados por meio da análise da influência dos seguintes parâmetros: malha computacional e esquemas de discretização dos termos convectivos das equações de conservação. Com base nos estudos teóricos e resultados obtidos durante o trabalho conclui-se que esquemas de primeira, tais como FOUP são altamente difusivos, já os resultados obtidos utilizando o esquema de alta ordem, Superbee, produziu resultados de melhor qualidade para as malhas testadas neste trabalho. Além disso, os resultados mostraram-se bastante dependentes do tamanho da malha computacional. / Abstract: In the present work is described a mathematical model and numerical simulation of gas-solid two-phase flow in a bubbling fluidized bed. It is used the Eulerian gas-solid two-fluid model and the solid phase stress tensor is modeled considering the kinetic theory of granular flows. The numerical simulations were developed using the MFIX (Multiphase Flow with Interphase eXchanges) code developed in NETL (National Energy Technology Laboratory). The numerical diffusion is analyzed considering a single bubbling detachment and its movement process in a two-dimensional bubbling fluidized bed using the bubble shape as a metric for results description. The influence of computacional grid it is also analyzed. It is concluded that SuperBee scheme produces the better results and analysis about estimating uncertainty in grid refinement should be studied. / Mestre

Dans ce travail, nous nous intéressons à deux problèmes de la théorie des systèmes hyperboliques faisant intervenir des interfaces. Le premier concerne des modèles de couplages entre un fluide compressible et une particule ponctuelle et le second concerne la capture numérique précise des chocs, ces discontinuités qui apparaissent dans les solutions des systèmes hyperboliques.Sur la première thématique, nous commençons par introduire les différents modèles, dans lesquels la particule et le fluide interagissent à travers une force de frottement qui tend à rapprocher leurs vitesses. Le couplage est singulier car il fait intervenir le produit d’une fonction discontinue par une mesure de Dirac. On peut toutefois définir précisément le système en voyant la particule comme une interface à travers laquelle des relations liant les propriétés du fluide et celle de la particule sont imposées. Lorsque le fluide suit une équation de Burgers, nous démontrons la convergence d’une classe de schéma numérique, et nous obtenons l’existence d’une solution au problème de Cauchy pour une donnée initiale à variation totale bornée. Dans le cas plus complexe où le fluide est décrit par les équa- tions d’Euler isothermes, on prouve l’existence et l’unicité d’une solution autosemblable au problème de Riemann lorsque la particule est immobile. Des simulations numériques sont également présentées.La dernière partie de la thèse est consacrée à la construction de schémas non diffusifs pour les systèmes hyperboliques. Ces schémas, de type volumes finis, sont construits pour être exact lorsque la donnée initiale est un choc isolé. Ils sont basé sur une reconstruction discontinue de la solution au début de chaque itération en temps, dans le but de reconstituer des chocs à l’intérieur de certaines cellules du maillage. Cette stratégie mène à des schémas très peu diffusifs qui, lorsque l’opérateur de reconstruction est bien choisi, approchent correctement les solutions de cas tests problématiques (chocs lents, chocs forts, réflexions pour la dynamique des gaz, chocs non classiques pour les systèmes qui ne sont pas vraiment non linéaires). / In this work, we study two problems concerning hyperbolic systems involving interfaces. The first one concerns the study of models of coupling between a compressible fluid and a pointwise particle. The second one deals with the sharp numerical approximation of shocks, which are discontinuities that appear in the solutions of hyperbolic systems.In the first two parts of the manuscript, we introduce different models of fluid-particle couplings. The fluid and the particle interact on each other through a drag force, which brings their velocities closer to one another. The coupling is singular because it can be written as the product of a discontinuous function by a Dirac measure. However, the system can be precisely defined as follows. The particle is seen as an interface through which interface conditions linking the properties of the fluid with those of the particle are imposed. When the fluid follows the compressible Burgers equations, we prove the convergence of a family of finite volume schemes and obtain the existence of a solution when the initial data has total bounded variation. In the more difficult case where the fluid is described by the isothermal Euler equations, we prove the existence and uniqueness of a selfsimilar solution to the Riemann problem, when the particle is motionless. Numerical experiments are also presented.In the last part of this work, we build non diffusive numerical schemes for different hyperbolic systems. These finite volume schemes are built to be exact when the initial data is an isolated shock. They are based on a discontinuous reconstruction of the solution at the beginning of each time step, in order to reconstruct shocks inside some specific cells of the mesh. The schemes we present have a very low numerical diffusion and, when the reconstruction operator is well chosen, they are able to correctly approximate the solution on various problematic test cases. These cases include slowly moving shocks, strong shocks and shock reflections for gas dynamics, as well as the apparition of nonclassical shocks for systems that are not truely nonlinear.

Made available in DSpace on 2014-06-11T19:26:18Z (GMT). No. of bitstreams: 0 Previous issue date: 2009-01-12Bitstream added on 2014-06-13T20:54:32Z : No. of bitstreams: 1 souza_mp_me_bauru.pdf: 1121017 bytes, checksum: 8ed8fe65e5cd46111ec16064bc42b009 (MD5) / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) / No presente trabalho desenvolve-se um estudo de modelagem matemática e simulação numérica do escoamento bifásico gás-sólido em leito fluidizado borbulhante. Utiliza-se o modelo Euleriano de duas fases separadas formulando o tensor das tensões da fase sólida através da teoria cinética dos escoamentos granulares. As simulações numéricas são realizadas através do código fonte MFIX (Multiphase Flow with Interphase eXchanges) desenvolvido no NETL (National Energy Technology Laboratory). Os resultados de simulação numérica são avaliados por meio da análise da influência dos seguintes parâmetros: malha computacional e esquemas de discretização dos termos convectivos das equações de conservação. Com base nos estudos teóricos e resultados obtidos durante o trabalho conclui-se que esquemas de primeira, tais como FOUP são altamente difusivos, já os resultados obtidos utilizando o esquema de alta ordem, Superbee, produziu resultados de melhor qualidade para as malhas testadas neste trabalho. Além disso, os resultados mostraram-se bastante dependentes do tamanho da malha computacional. / In the present work is described a mathematical model and numerical simulation of gas-solid two-phase flow in a bubbling fluidized bed. It is used the Eulerian gas-solid two-fluid model and the solid phase stress tensor is modeled considering the kinetic theory of granular flows. The numerical simulations were developed using the MFIX (Multiphase Flow with Interphase eXchanges) code developed in NETL (National Energy Technology Laboratory). The numerical diffusion is analyzed considering a single bubbling detachment and its movement process in a two-dimensional bubbling fluidized bed using the bubble shape as a metric for results description. The influence of computacional grid it is also analyzed. It is concluded that SuperBee scheme produces the better results and analysis about estimating uncertainty in grid refinement should be studied.

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.

No presente trabalho desenvolve-se um estudo de modelagem matemática e simulação numérica do escoamento bifásico gás-sólido na coluna ascendente de um leito fluidizado circulante. Utiliza-se o modelo euleriano de duas fases separadas considerando dois procedimentos diferentes para a modelagem do tensor das tensões da fase sólida: modelo tradicional e a teoria cinética dos escoamentos granulares (TCEG). As simulações numéricas são conduzidas com a utilização do código MFIX que é um software livre e disponível na rede (Internet). Os resultados da simulação numérica são avaliados por meio da análise da influência dos seguintes parâmetros: malha computacional, correlações para o computo do tensor das tensões da fase sólida e esquemas de discretização dos termos advectivos. Também se desenvolve estudo de caracterização de estruturas coerentes - \"clusters\". De forma complementar foram realizadas duas análises teóricas compreendendo: uma análise da influência das diversas correlações utilizadas na TCEG para o computo da viscosidade dinâmica do sólido; e uma análise enfocando o emprego de diversos esquemas de discretização para os termos advectivos presentes nas equações de conservação (Foup, Muscl, Van Leer, Minmod e Superbee). De todos os estudos e resultados apresentados no trabalho conclui-se que os escoamentos gás-sólido em leitos fluidizados circulantes são muito complexos, sendo necessário a realização de futuras pesquisas para uma melhor compreensão dos fenômenos físicos inerentes a esses escoamentos. / In the present work is described a mathematical model and numerical study simulation of the gas-solid flow in the riser of a circulating fluidized bed. It is used the two fluids eulerian model considering two different procedures for the solid phase stress tensor modeling: the traditional model and the kinetic theory of granular flows (KTGF). The numerical simulation results are evaluated through the influence analysis of the following parameters: computational mesh, correlations for computing the solid phase stress tensor and the discretization of the advective terms. It is also presented a study concerning the characterization coherent structures - \"clusters\". Complementing the above studies were accomplished two theoretical analyses comprehending: an influence analysis of several correlations used in the KTGF for computing the dynamic viscosity of the solid phase; and an analysis concerning several discretization schemes for the advective terms present in the conservative equations. Considering the developed studies and the obtained results it is concluded that the gas-solid flows in circulating fluidized beds are very complex, being necessary future research works for a better comprehension of the inherent physical phenomena to these flows.

No presente trabalho desenvolve-se um estudo de modelagem matemática e simulação numérica do escoamento bifásico gás-sólido na coluna ascendente de um leito fluidizado circulante. Utiliza-se o modelo euleriano de duas fases separadas considerando dois procedimentos diferentes para a modelagem do tensor das tensões da fase sólida: modelo tradicional e a teoria cinética dos escoamentos granulares (TCEG). As simulações numéricas são conduzidas com a utilização do código MFIX que é um software livre e disponível na rede (Internet). Os resultados da simulação numérica são avaliados por meio da análise da influência dos seguintes parâmetros: malha computacional, correlações para o computo do tensor das tensões da fase sólida e esquemas de discretização dos termos advectivos. Também se desenvolve estudo de caracterização de estruturas coerentes - \"clusters\". De forma complementar foram realizadas duas análises teóricas compreendendo: uma análise da influência das diversas correlações utilizadas na TCEG para o computo da viscosidade dinâmica do sólido; e uma análise enfocando o emprego de diversos esquemas de discretização para os termos advectivos presentes nas equações de conservação (Foup, Muscl, Van Leer, Minmod e Superbee). De todos os estudos e resultados apresentados no trabalho conclui-se que os escoamentos gás-sólido em leitos fluidizados circulantes são muito complexos, sendo necessário a realização de futuras pesquisas para uma melhor compreensão dos fenômenos físicos inerentes a esses escoamentos. / In the present work is described a mathematical model and numerical study simulation of the gas-solid flow in the riser of a circulating fluidized bed. It is used the two fluids eulerian model considering two different procedures for the solid phase stress tensor modeling: the traditional model and the kinetic theory of granular flows (KTGF). The numerical simulation results are evaluated through the influence analysis of the following parameters: computational mesh, correlations for computing the solid phase stress tensor and the discretization of the advective terms. It is also presented a study concerning the characterization coherent structures - \"clusters\". Complementing the above studies were accomplished two theoretical analyses comprehending: an influence analysis of several correlations used in the KTGF for computing the dynamic viscosity of the solid phase; and an analysis concerning several discretization schemes for the advective terms present in the conservative equations. Considering the developed studies and the obtained results it is concluded that the gas-solid flows in circulating fluidized beds are very complex, being necessary future research works for a better comprehension of the inherent physical phenomena to these flows.