The objective of this dissertation is to develop robust and accurate numerical methods for solving the compressible, non-linear Euler equations of gas dynamics in one and two space dimensions. In theory, solutions of the Euler equations can display various characteristics including shock waves, rarefaction waves and contact discontinuities. To capture these features correctly, highly accurate numerical schemes are designed. In this thesis, two different projects have been studied to show the accuracy and utility of these numerical schemes. Firstly, the compressible, non-linear Euler equations of gas dynamics in one space dimension are considered. Since the non-linear partial differential equations (PDEs) can develop discontinuities (shock waves), the numerical code is designed to obtain stable numerical solutions of the Euler equations in the presence of shocks. Discontinuous solutions are defined in a weak sense, which means that there are many different solutions of the initial value problems of PDEs. To choose the physically relevant solution among the others, the entropy condition was applied to the problem. This condition is then used to derive a bound on the solution in order to satisfy L2-stability. Also, it provides information on how to add an adequate amount of diffusion to smooth the numerical shock waves. Furthermore, numerical solutions are obtained using far-field and no penetration (wall) boundary conditions. Grid interfaces were also included in these numerical computations. Secondly, the two dimensional compressible, non-linear Euler equations are considered. These equations are used to obtain numerical solutions for compressible ow in a shock tube with a 90° circular bend for two channels of different curvatures. The cell centered finite volume numerical scheme is employed to achieve these numerical solutions. The accuracy of this numerical scheme is tested using two different methods. In the first method, manufactured solutions are used to the test the convergence rate of the code. Then, Sod's shock tube test case is implemented into the numerical code to show the correctness of the code in both ow directions. The numerical method is then used to obtain numerical solutions which are compared with experimental data available in the literature. It is found that the numerical solutions are in a good agreement with these experimental results.

Orientadores: Maria Regina Wolf Maciel, Henry França Meier, Antonio Andre Chivanga Barros / Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica / Made available in DSpace on 2018-08-10T17:36:12Z (GMT). No. of bitstreams: 1 Noriler_Dirceu_D.pdf: 6369286 bytes, checksum: f7d7529d389ee08ae2c3e9ff05d27633 (MD5) Previous issue date: 2007 / Resumo: Os mecanismos fenomenológicos que ocorrem em equipamentos industriais são muito importantes para o projeto e otimização de equipamentos e processos. Neste caminho, a destilação, a mais importante técnica de separação, é foco de diversos estudos que tem como objetivo compreender a fenomenologia deste sistema. Os modelos atuais para a representação de colunas de destilação baseiam-se no conceito de estágios de equilíbrio e de não equilíbrio que consideram a mistura perfeita em cada fase, onde não existem variações espaciais das propriedades conserváveis, somente variações temporais. No entanto, é conhecido que o padrão de escoamento tem uma grande importância sobre a eficiência de transferência de massa e energia. Neste sentido, houve muitas contribuições na aplicação das técnicas de CFD ao estudo dos padrões de escoamento em sistemas gás-sólido, como em leitos fluidizados, e em sistemas gás-líquido, como em coluna de bolhas. Assim, o principal objetivo deste trabalho é aplicar um modelo microscópico multifásico baseado na conservação de quantidade de movimento, calor e massa, num referencial euleriano-euleriano tridimensional e transiente, sob condições de turbulência, que possibilite a predição dos perfis de velocidade, fração volumétrica, pressão, temperatura e concentração em um prato perfurado de uma coluna de destilação. Um código comercial de CFD foi utilizado para a execução dos experimentos numéricos, com a construção de malhas numéricas e implementação de equações de fechamento obtidas na literatura através de sub-rotinas escritas em linguagem FORTRAN. O método numérico utilizado foi o método dos volumes finitos com malha co-localizada em um sistema de coordenadas generalizadas. Os principais resultados mostram os perfis de fração volumétrica, velocidade, temperatura e de concentração em função do tempo e da posição no prato e quando comparados com dados da literatura e com dados obtidos experimentalmente confirmam a capacidade do modelo predizer os principais aspectos fenomenológicos em pratos perfurados de destilação. A metodologia proposta neste trabalho mostrou-se adequada para reproduzir o comportamento fluidodinâmico em pratos perfurados de destilação e pode ser aplicada para projeto e otimização destes equipamentos / Abstract: A better understanding of the mechanisms that occur in large scale industrial processes is important in order to improve equipment design and process development. In this way, distillation is one of the most important separation techniques. Conventional models for distillation columns are based on equilibrium and non-equilibrium stage concepts. Despite the relevant results obtained with equilibrium and nonequilibrium stage models, they neglect the fluid dynamic phenomena assuming perfect mixing of each phase in the plate. However, it has been recognized that the flow pattern on a distillation tray is of large importance on the mass and energy transfer efficiency, and this influence can only be analyzed by making a fluid dynamics study. Recent advances show that CFD techniques have allowed the study of fluid dynamic in processes and equipments. Contributions have been made in modeling and simulation of gas-solid flow, as for example in fluidized beds, and gas-liquid flow, as for example in bubble columns. The main objective of this work is to apply a CFD model under Eulerian-Eulerian framework for gas-liquid flows, capable to predict the momentum, mass and thermal phenomena of the multiphase flows. A three-dimensional and transient model with chemical species, energy and momentum conservation balances have been applied for predictions of volume fractions, velocities, pressure, temperature and concentrations fields, of two-phase flows on distillation sieve tray. The mathematical model was implemented in a CFD commercial code for numerical studies, with the construction of a particular numerical grid and using own sub-routines in FORTRAN language for the closures equations obtained from literature. The model was solved using the finite-volume method with collocated variables in a generalized co-ordinate system. The results show the volume fractions, velocities, temperature and concentrations profiles as a function of the time and the position in the distillation sieve tray. These were compared with literature data and our experimental data to confirm that the model is suitable to predict gas-liquid flows on a distillation sieve tray. The CFD tools presented and discussed in this work make possible to know better the turbulent gas-liquid flow in a sieve plate of distillation columns and they can be used to optimize design and the operating conditions of such processes / Doutorado / Desenvolvimento de Processos Químicos / Doutor em Engenharia Química

Dans cette thèse, nous proposons de nouvelles méthodes permettant de résoudre numériquement des problèmes de diffraction harmoniques et tridimensionnels, aussi bien acoustiques qu'électromagnétiques, pour lesquels l'objet diffractant est pénétrable et inhomogène. La résolution de tels problèmes est centrale pour des calculs de surfaces équivalentes sonar et radar (SES et SER). Elle est toutefois connue pour être difficile car elle requiert de discrétiser des équations aux dérivées partielles posées dans un domaine extérieur. Étant infini, ce domaine ne peut pas être maillé en vue d'une résolution par la méthode des éléments finis volumiques. Deux approches classiques permettent de contourner cette difficulté. La première consiste à tronquer le domaine extérieur et rend alors possible une résolution par la méthode des éléments finis volumiques. Étant donné qu'elles approximent les problèmes de diffraction au niveau continu, les méthodes de troncature de domaine peuvent toutefois manquer de précision pour des calculs de SES et de SER. Les problèmes de diffraction harmoniques, pénétrables et inhomogènes peuvent également être résolus en couplant une formulation variationnelle volumique associée à l'objet diffractant et des équations intégrales surfaciques rattachées au domaine extérieur. Nous parlons de couplages FEM-BEM (Finite Element Method-Boundary Element Method). L'intérêt de cette approche réside dans le fait qu'elle est exacte au niveau continu. Les couplages FEM-BEM classiques sont dits forts car ils couplent la formulation variationnelle volumique et les équations intégrales surfaciques au sein d'une même formulation. Ils ne sont toutefois pas adaptés à la résolution de problèmes à haute fréquence. Pour pallier cette limitation, d'autres couplages FEM-BEM, dits faibles, ont été proposés. Ils correspondent concrètement à des algorithmes de décomposition de domaine itérant entre l'objet diffractant et le domaine extérieur. Dans cette thèse, nous introduisons de nouveaux couplages faibles FEM-BEM acoustiques et électromagnétiques basés sur des approximations de Padé récemment développées pour les opérateurs Dirichlet-to-Neumann et Magnetic-to-Electric. Le nombre d'itérations nécessaires à la résolution de ces couplages ne dépend que faiblement de la fréquence et du raffinement du maillage. Les couplages faibles FEM-BEM que nous proposons sont donc adaptés pour des calculs précis de SES et de SER à haute fréquence / In this doctoral dissertation, we propose new methods for solving acoustic and electromagnetic three-dimensional harmonic scattering problems for which the scatterer is penetrable and inhomogeneous. The resolution of such problems is key in the computation of sonar and radar cross sections (SCS and RCS). However, this task is known to be difficult because it requires discretizing partial differential equations set in an exterior domain. Being unbounded, this domain cannot be meshed thus hindering a volume finite element resolution. There are two standard approaches to overcome this difficulty. The first one consists in truncating the exterior domain and renders possible a volume finite element resolution. Given that they approximate the scattering problems at the continuous level, truncation methods may however not be accurate enough for SCS and RCS computations. Inhomogeneous penetrable harmonic scattering problems can also be solved by coupling a volume variational formulation associated with the scatterer and surface integral equations related to the exterior domain. This approach is known as FEM-BEM coupling (Finite Element Method-Boundary Element Method). It is of great interest because it is exact at the continuous level. Classical FEM-BEM couplings are qualified as strong because they couple the volume variational formulation and the surface integral equations within one unique formulation. They are however not suited for solving high-frequency problems. To remedy this drawback, other FEM-BEM couplings, said to be weak, have been proposed. These couplings are actually domain decomposition algorithms iterating between the scatterer and the exterior domain. In this thesis, we introduce new acoustic and electromagnetic weak FEM-BEM couplings based on recently developed Padé approximations of Dirichlet-to-Neumann and Magnetic-to-Electric operators. The number of iterations required to solve these couplings is only slightly dependent on the frequency and the mesh refinement. The weak FEM-BEM couplings that we propose are therefore suited to accurate SCS and RCS computations at high frequencies

Recently the computational speed and the functions of the numerical methods are advancing rapidly. It is the future trend that using the computational fluid dynamics (CFD) to perform simulation for making up the experimental deficiency, reducing the risk, improving the quality of the product, and saving the cost of research and development. A two-dimensional simulation was employed to study the melt/air and melt/solid interface shapes of the miniature molten zone formed in the laser-heated pedestal growth (LHPG) system. Using non-orthogonal body-fitting grid system with control-volume finite difference method, the interface shape can be determined both efficiently and accurately. During stable growth, the dependence of the molten-zone length and shape on the heating CO2 laser is examined in detail under both the maximum and the minimum allowed powers with various growth speeds. The effect of gravity for the miniature molten zone is also simulated, which reveals the possibility for a horizontally oriented LHPG system. Such a horizontal system is good for the growth of long crystal fibers. After comparing with the shape of the molten zone in terms of the experiment and the analysis of the simulation shown as above. Heat transfer and fluid flow in the LHPG system are analyzed near the deformed interfaces. The global thermal distributions of the crystal fiber, the melt, and the source rod are described by temperature and its axial gradient within length of ~10 mm. As compared with the growth of bulk crystal of several centimeters in dimension, natural convection drops six orders in magnitude due to smaller melt volume; therefore, conduction rather than convection determines the temperature distribution in the molten zone. Moreover, thermocapillary convection rather than mass-transfer convection becomes dominant. The symmetry and mass flow rate of double eddy pattern are significantly influenced by the molten-zone shape due to the diameter reduction and the large surface-tension-temperature coefficient in the order of 10-4~10-3. According to the analysis shown as above, the results could be further extended for the analysis of the concentration profile and study of horizontal growth.

The objective of this PhD research program is to develop an accurate and efficient heterogeneous three-dimensional computational model for simulating the drying of wood at temperatures below the boiling point of water. The complex macroscopic drying equations comprise a coupled and highly nonlinear system of physical laws for liquid and energy conservation. Due to the heterogeneous nature of wood, the physical model parameters strongly depend upon the local pore structure, wood density variation within growth rings and variations in primary and secondary system variables. In order to provide a realistic representation of this behaviour, a set of previously determined parameters derived using sophisticated image analysis methods and homogenisation techniques is embedded within the model. From the literature it is noted that current three-dimensional computational models for wood drying do not take into consideration the heterogeneities of the medium. A significant advance made by the research conducted in this thesis is the development of a three - dimensional computational model that takes into account the heterogeneous board material properties which vary within the transverse plane with respect to the pith position that defines the radial and tangential directions. The development of an accurate and efficient computational model requires the consideration of a number of significant numerical issues, including the virtual board description, an effective mesh design based on triangular prismatic elements, the control volume finite element discretisation process for the cou- pled conservation laws, the derivation of an accurate dux expression based on gradient approximations together with flux limiting, and finally the solution of a large, coupled, nonlinear system using an inexact Newton method with a suitably preconditioned iterative linear solver for computing the Newton correction. This thesis addresses all of these issues for the case of low temperature drying of softwood. Specific case studies are presented that highlight the efficiency of the proposed numerical techniques and illustrate the complex heat and mass transport processes that evolve throughout drying.

The objective of this PhD research programme is to investigate the effectiveness of a finite volume method incorporating radial basis functions for simulating nonlinear transport processes. The finite volume method is the favoured numerical technique for solving the advection-diffusion equations that arise in transport simulation. The method transforms the original problem into a system of nonlinear, algebraic equations through the process of discretisation. The accuracy of this discretisation determines to a large extent the accuracy of the final solution. A new method of discretisation is presented that employs radial basis functions (rbfs) as a means of local interpolation. When combined with Gaussian quadrature integration methods, the resulting finite volume discretisation leads to accurate numerical solutions without the need for very fine meshes, and the additional overheads they entail. The resulting nonlinear, algebraic system is solved efficiently using a Jacobian-free Newton-Krylov method. By employing the new method as an extension of existing shape function-based approaches, the number of nonlinear iterations required to obtain convergence can be reduced. Furthermore, information obtained from these iterations can be used to increase the efficiency of subsequent rbf-based iterations, as well as to construct an effective parallel reconditioner to further reduce the number of nonlinear iterations required. Results are presented that demonstrate the improved accuracy offered by the new method when applied to several test problems. By successively refining the meshes, it is also possible to demonstrate the increased order of the new method, when compared to a traditional shape function basedmethod. Comparing the resources required for both methods reveals that the new approach can be many times more efficient at producing a solution of a given accuracy.

Made available in DSpace on 2016-12-08T17:19:36Z (GMT). No. of bitstreams: 1 Gerson Filippini.pdf: 3306780 bytes, checksum: e9e94632db2e1724ef9cf694d93a5724 (MD5) Previous issue date: 2004-11-26 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / The Finite Elements Method (MEF) has been traditionally applied to stress analysis in solid mechanics, whereas the Finite Volume Method (MVF) has its main application in heat transfer and fluid flow analyses. In the last years, use of Finite Elements in fluid dynamics problems has shown a substantial increase due, not only to its well-known facility to handle complex geometries, but to the development of new element stabilization techniques. On the other hand, the development of new models based on unstructured meshes has open new possibilities for application of the Finite Volume method. The present work addresses some aspects associated to the application of the MVF to plane elasticity, in which a discretisation procedure for Cartesian meshes is presented and comparisons between FEM and FVM for test problems are discussed. Emphasis is given to stress computation for Finite Volumes and comparisons to those obtained via recovery techniques for Finite Elements. The discretisation strategy and solution of the linear equation system have been approached under the classical FVM perspective, aiming at integration in existing Finite Volume codes. The analyses have been performed for a doubly-clamped beam with prescribed displacements in both ends, in which special attention is given to the shear stresses. It has been observed that the stresses evaluated using the MVF yields smaller differences when compared to the global smoothing method associated to the FEM. Furthermore, Finite Volumes has shown less susceptibility to poor aspect ratio then Finite Elements using linear shape functions. A qualitative analysis of the compression of a cylindrical billet has also shown no hourglass for Finite Volumes solutions. / O Método de Elementos Finitos (MEF) tem sido Tradicionalmente aplicado a problemas mecânicos de análise de tensões, enquanto o Método de Volumes Finitos (MVF) tem sua aplicação principal em transferência de calor e mecânica dos fluidos. Nos últimos anos, o uso de Elementos Finitos em problemas de dinâmica dos fluidos tem mostrado um aumento substancial. Isso se deve não somente a sua conhecida facilidade de tratar geometrias complexas, mas também ao desenvolvimento de novas técnicas de estabilização de elementos. Por outro lado, o desenvolvimento de novas estratégias baseadas em malhas não estruturadas tem renovado o incentivo na aplicação do método de Volumes Finitos. O presente trabalho discute diversos aspectos relativos à aplicação do MVF a problemas de elasticidade plana com malhas estruturadas e cartesianas, com ênfase nas comparações entre as distribuições de tensões obtidas pelo MVF e aquelas calculadas pelo MEF a partir de diferentes esquemas de suavização. As análises são feitas para uma viga engastada em ambos lados com deslocamentos prescritos nas extremidades visando avaliar principalmente as tensões cisalhantes. Observou-se que o campo de tensões calculado pelo MVF apresenta menor diferença quando comparado com aquele obtido pelo MEF utilizando-se o esquema de suavização global. Ressalta-se que o problema é abordado pelo prisma de Volumes Finitos (discretização das equações de governo e métodos de solução) visando futura implementação em códigos já existentes para problemas de termofluidos, com vistas à aplicação a problemas de interação fluidoestrutura. Fez-se também uma verificação inicial da existência de modos espúrios em um problema compressivo e a influência da variação da razão de aspecto dos elementos sobre os resultados.

L’objectif de ce travail est de contribuer à la modélisation du couplage hydromécanique, existant entre la déformation de la préforme fibreuse et l’écoulement de la résine, et par la suite à la simulation des procédés d’infusion. La méthode de résolution numérique déployée dans ce cadre est de type éléments finis avec volumes de contrôles (CVFEM) formulée en 2D½. Une nouvelle approche de modélisation de procédé d’infusion est proposée. Dans cette méthode, nous avons introduit des éléments 1D qui traduisent l’écoulement transverse. Cette approche permet de surmonter la difficulté numérique relative à l’usage des éléments finis volumiques pour un calcul 3D, notamment pour simuler la mise en œuvre des pièces industrielles de grandes dimensions. Le modèle fait appel à des lois de comportements caractérisées expérimentalement et qui permettent de tenir compte de l’évolution de la perméabilité et la compressibilité du milieu fibreux au cours de l’infusion. Diverses confrontations entre le modèle numérique proposé, des méthodes analytiques et expérimentales ont été menées. Une application du modèle dans la simulation de l’infusion d’un démonstrateur industriel de géométrie complexe est également réalisée. Les résultats obtenus sont très encourageants et révèlent l’efficacité de l’outil développé dans la simulation du procédé d’infusion / The aim of this work is to model the hydromechanical coupling that exists between the preform compressibility and the resin flow in order to simulate the infusion processes. The numerical method used in this study is based on the Control Volume Finite Elements Method (CVFEM) in 2D½. A new modelling approach of the infusion process is proposed. In this method, we introduced 1D elements to include through-the-thickness flow. This approach allows to reduce the computational time in comparison with full 3D modelling, especially in the simulation of industrial part infusion with large dimensions. The developed model is alimented by behavior laws that we characterized experimentally. These laws allow to take into account the evolution of the permeability and the compressibility of the fibrous medium during the infusion. We validated our model by comparing its results with analytical and experimental data. Additionally, an application of this simulation approach has been carried out to simulate the infusion of an industrial demonstrator with complex geometry. These comparisons show a good agreement between numerical and experimental results and reveal the efficiency of the developed tool in the infusion process simulation.

La première contribution de cette thèse est l'étude de la modélisation ainsi que de la discrétisation des écoulements multiphasique en géométrie microfluidique. Nous proposons un nouveau schéma d'ordre deux de discrétisation basé sur les méthodes mixtes volumes finis/éléments finis pour le système de Stokes bi-fluides avec tension de surface.Nous présentons alors des comparaison de la précision de ce nouveau schéma avec la discrétisation MAC, en 2D et en 3D-axi. La seconde contribution est relative à l'étude de schémas numériques en temps pour les fluides viscoélastiques. Nous présentons les limites actuelles des modélisations dans ce domaine en étudiant le cas des écoulements de micelles géantes, polymères ayant la capacité de se réorganiser spatialement en fonction du taux de cisaillement. Nous montrons qu'une condition de stabilité liée au ratio de viscosité du polymère et du solvant en temps - très restrictive - existe. Un nouveau schéma est alors proposé pour contourner cette limitation et des études stabilité sont menés pour démontrer nos résultats. / The first contribution of this thesis is the analysis and discretization of multiphase flow in a microfluidic framework.We propose a new scheme wich is second order accurate, based on mixed finite volume / finite element method for the two phases Stokes system with surface tension.We then present the comparison of the accuracy of this new scheme with the MAC discretization in 2D and 3D axi.The second contribution is related to the study of numerical schemes in time for viscoelastic fluids.We present the current limitations in this area by studying the case of flows of wormlike micelles, polymers having the ability to reorganize themselves according to the shear rate.We show that a condition of stability related to the ratio of viscosity of the polymer and solvent in time - very restrictive - exists.A new scheme is then proposed to overcome this limitation and stability studies are conducted to demonstrate our results.