Filtered two-fluid models used to perform large scale simulations of gas-solid fluidized flows of industrial risers require closures for filtered parameters such as filtered and residual stresses, and interphase interaction forces mainly effective drag. Closure models for those filtered parameters may be derived by averaging over results of highly resolved simulations with microscopic two-fluid modeling. This work is a contribution in that context. Recent models for filtered parameters have been written as functions of filter size, filtered solid volume fraction, and filtered slip velocity. A recent study showed that macro-scale variables like domain average solid volume fraction and gas Reynolds number also significantly affect the filtered parameters. In the current work, in addition to these filtered and macro-scale variables, the effects of two new variables over the filtered parameters are investigated: filtered solid kinetic energy and sub-grid gas turbulence. It is shown that the filtered solid kinetic energy should be accounted for in the concerning correlations, thereby improving accuracy. Regarding gas turbulence, literature shows it has no significant effects on the motion of high Stokes particles. Extending on literature, this work investigates the sub-grid gas turbulence effects on meso-scale structures formed of high Stokes particles. Results showed that sub-grid gas turbulence has no significant effects on the meso-scale structures and corresponding filtered parameters. The open source code MFIX was used for all simulations. Ranges of dilute concentration of solid and gas Reynolds number typical of riser flow regimes were considered. A modified two-fluid model with microscopic formulation was used. The sub-grid gas turbulence was generated by means of a forcing function procedure which was implemented in the physical space, over the gravitational term of the momentum conservation equation of the gas phase. First, numerical simulations of the gas phase alone were performed, accounting for literature available data, in order to set a turbulent gas field and calibrate the turbulence intensity. Then, the forcing function was introduced in to the two-fluid model and various gas-solid flows were simulated. While the current results show the necessity of accounting for additional variables in the filtered parameter correlation, they also make it clear the necessity of further developments that are required in the search for better accuracy. / Modelos filtrados de dois-fluidos usados em simulações de grandes escalas de escoamentos fluidizados de gás-sólido de risers industriais exigem fechamentos para parâmetros filtrados tais como as tensões filtradas e residuais, e forças interativas interfases, principalmente arrasto efetivo. Modelos de fechamento para estes parâmetros filtrados podem ser gerados a partir de procedimentos de media aplicados sobre resultados de simulações altamente resolvidas com modelagem microscópica de dois-fluidos. Este trabalho é uma contribuição neste contexto. Modelos de fechamento recentes para parâmetros filtrados tem sido formulados em função de tamanho de filtro, fração volumétrica de sólido filtrada, e velocidade de deslizamento filtrada. Estudo recente mostrou que variáveis de macro-escalas como fração volumétrica de sólido e número de Reynolds de gás médios no domínio também afetam significativamente os parâmetros filtrados. No presente trabalho, além dessas variáveis filtradas e de macro-escala, os efeitos de duas novas variáveis sobre os parâmetros filtrados são investigados: energia cinética filtrada do sólido e turbulência submalha do gás. Em relação à energia cinética filtrada do sólido, mostra-se que a sua consideração refina as correlações em questão, contribuindo assim para melhor acuracidade. Com relação à turbulência do gás, a literatura mostra que não tem efeitos significativos no movimento de particulados de elevados números de Stokes. Acrescentando à literatura, este trabalho investiga os efeitos da turbulência sub-malha do gás sobre estruturas de meso-escala formados de particulados de elevados números de Stokes. Os resultados mostraram que a turbulência sub-malha do gás não tem efeitos significativos sobre estruturas de meso-escalas e parâmetros filtrados correspondentes. O código aberto MFIX foi usado para todas as simulações. Faixas de concentração diluída de sólido e número de Reynolds típicos de escoamentos em risers foram considerados. Um modelo modificado de dois fluidos com formulação microscópica foi utilizado. A turbulência sub-malha do gás foi gerada por meio de um procedimento de \'forcing function\' que foi implementado no espaço físico, sobre o termo fonte gravitacional da equação de momentum da fase gás. Primeiramente, simulações numéricas da fase gás foram realizadas separadamente, levando-se em conta dados disponíveis na literatura, a fim de gerar um campo de gás turbulento e calibrar a intensidade de turbulência. Posteriormente, a \'forcing function\' foi introduzida no modelo de dois-fluidos e vários escoamentos de gás-sólido foram simulados. Enquanto os resultados obtidos mostram a necessidade de consideração de variáveis adicionais para correlação de parâmetros filtrados, também deixam claro a necessidade de desenvolvimentos mais aprofundados na busca de melhor acuracidade.

In gas-solid fluidized beds, the generation of electrostatic charges due to continuous contacts between fluidizing particles, and the particles and the fluidization vessel wall, is unavoidable. Industrial operations, such as the production of polyethylene, are susceptible to significant operational challenges caused by electrostatics including reactor wall fouling, a problem known as “sheeting”. The formation of particle sheets can require shutdown periods for clean-up which results in significant economic losses. To gain a better understanding of the underlying mechanisms of electrostatic charging in gas-solid fluidized beds, in an attempt to eliminate or minimize this problem, a pilot-scale pressurized gas-solid fluidization system was designed and built, housing an online electrostatic charge measurement technique consisting of two Faraday cups. The system permits the study of the degree of particle wall fouling at pressures and temperatures up to 2600 kPa and 100°C, respectively, and gas velocities up to 1 m/s (covering a range including turbulent flow regime). The system also allowed, for the first time, the measurement of the fluidizing particles’ mass, net charge and size distribution in various regions of the bed, especially those related to the wall coating under the industrially relevant operating conditions of high pressures and gas velocities. Experimental trials were carried out using polyethylene resin received from commercial reactors to investigate the influence of pressure and gas velocity on the bed hydrodynamics and in turn, the degree of bed electrification. Mechanisms for particle charging, migration and adherence to the column wall were proposed. The size distribution of the gas bubbles shifted towards smaller bubbles as the operating pressure was raised. Thus, higher pressures lead to greater mixing within the bulk of the bed and resulted in a higher degree of particle wall fouling. Moreover, the extent of wall fouling increased linearly with the increase in gas velocity and as the bed transitioned to turbulent regime, due to the increase in particle-wall contacts. Bipolar charging was observed especially within the wall coating with smaller particles being negatively charged. Overall, particle-wall contacts generated negatively charged particles resulting in a net negative charge in the bed, whereas particle-particle contacts generated positively and negatively charged particles resulting in no net charge when entrainment was negligible. The formation of the wall layer and its extent was influenced by the gravitational and drag forces balancing the image force and Coulomb forces (created by the net charge of the bed and the metallic column wall as the attraction between oppositely charged particles).

Orientador: Osvaldir Pereira Taranto / Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Química / Made available in DSpace on 2018-08-27T00:40:14Z (GMT). No. of bitstreams: 1 Silva_CarlosAlexandreMoreirada_D.pdf: 33350422 bytes, checksum: 046e0a2c090474593621166c81042136 (MD5) Previous issue date: 2015 / Resumo: As indústrias química, alimentícia e farmacêutica têm empregado extensivamente a operação de fluidização em inúmeros processos, devido às suas características bastante atrativas, que possibilitam um contato efetivo entre a fase sólida e fluida, o que reflete na geração de altas taxas de transferência de calor e de massa. No entanto, o regime de fluidização borbulhante, o qual é condição de partida dos processos que envolvem esta operação, frequentemente é afetado pelas condições operacionais. As temperaturas elevadas, o conteúdo de umidade excessivo das partículas e a introdução de líquidos no leito fluidizado podem conduzir a instabilidades no regime fluidodinâmico e provocar o colapso parcial ou total do leito, reduzindo a eficiência do processo. A manutenção de condições estáveis do regime de fluidização durante processos de recobrimento de partículas em leitos fluidizados é de fundamental importância para garantir uma eficiência de recobrimento favorável e evitar a formação de zonas sem movimentação e aglomeração das partículas no leito, pois estes fatores indesejáveis comprometem a mistura entre as fases e conseqüentemente a qualidade do produto final. Dentro deste contexto, a utilização de um sistema de monitoramento e controle em tempo real de processos de recobrimento de partículas é extremamente desejável para permitir a operação de regimes de fluidização estáveis e garantir um filme de recobrimento uniforme e boas condições de escoabilidade dos sólidos. A presente proposta de tese de doutorado tem por objetivo aplicar a metodologia de análise espectral Gaussiana dos sinais de flutuação de pressão (Parise et al. (2008)), para o desenvolvimento de sistemas de controle baseados em inteligência artificial (Lógica Fuzzy), visando monitorar a estabilidade do regime de fluidização em processo de recobrimento de partículas. Comparações entre as condições fluidodinâmicas dos processos com e sem controle foram analisadas para operações em leito fluidizado em escala de laboratorio. Para avaliar a qualidade das partículas foi utilizada uma sonda de monitoramento in-line (Parsum IPP70), onde se pôde verificar os instantes iniciais da aglomeração indesejada. Com a aplicação desde sistema automatizado foi possível associar a estabilidade da fluidização em função do elevado grau de aglomeração. O ponto de parada do processo pôde ser definido em 420 µm (inicial em 360 µm) e a partir deste o mecanismo de recobrimento acontece simultaneamente com o de aglomeração. Os parâmetros de monitoramento do regime conseguiram não somente identificar a fase inicial da defluidização, como também foi possível a partir deles, controlar o processo por Lógica Fuzzy-PI e estabilizar a operação para altas taxas de suspensão atomizadas / Abstract: The chemical, food and pharmaceutical industries have extensively used fluidization operation in many cases, due to its very attractive features that enable effective contact between the solid and fluid phase, which reflects the generation of high heat and mass transfer rates. However, the bubbling fluidization regime, which is the starting condition of the processes involved in this operation is often affected by operating conditions. Elevated temperatures, excessive moisture content of the particles and introduction of liquid into the fluidized bed may lead to instabilities in the fluid-dynamic regime and cause partial or total collapse of the bed, reducing the process efficiency. The maintenance of stable conditions of the fluidization regime for particle coating processes in fluidized beds is of fundamental importance to ensure a favorable coating efficiency and to avoid zones without movement and agglomeration of particles in the bed, because these undesirable factors compromise the mixing between the phases and therefore the quality of the final product. Within this context, the use of a monitoring system and real-time control of particle coating processes is highly desirable to allow operation in stable fluidization regimes and to ensure a uniform coating film and good condition of flowability of the solids. This doctoral thesis aims to apply the Gaussian spectral analysis methodology of the pressure fluctuation signals (Parise et al. (2008)) , for the development of control systems based on artificial intelligence (Fuzzy Logic), to monitor the stability of fluidization regime particle coating process. Comparisons between the fluid dynamic conditions of the processes with and without control were analyzed for operations in fluidized bed laboratory scale. To assess early stages of unwanted agglomeration, a monitoring in-line probe (Parsum IPP70) was used. With the application of this automated system, it was possible to associate the stability of fluidization with a high degree of agglomeration. The process stopping point could be set at 420 µm (initial in 360 µm) and after, the coating mechanism takes place simultaneously with the agglomeration one. The monitoring parameters of the system were able to identify the initial phase of defluidization, as well as it was possible to control the process by using Fuzzy Logic and to stabilize the operation for high rates of the coating suspension atomized onto the bed / Doutorado / Engenharia de Processos / Doutor em Engenharia Química

During development, higher organisms grow from a single fertilized egg cell to the adult animal. The many processes that lead to the eventual shape of the developed organism are subsumed as morphogenesis, which notably involves the growth of tissues by repeated rounds of cell division. Whereas coordinated tissue growth is a prerequisite for animal development, excessive cell division in adult animals is the key ingredient to cancer. In this thesis, we investigate the collective organization of cells by cell division and cell death. The multicellular dynamics of growing tissues is influenced by mechanical conditions and can give rise to cell rearrangements and movements. We develop a continuum description of tissue dynamics, which describes the stress distribution and the cell flow field on large scales. Cell division and apoptosis introduce stress sources that, in general, are anisotropic. By combining cell number balance with dynamic equations for the stress source, we show that the tissue effectively behaves as a viscoelastic fluid with a relaxation time set by the rates of division and apoptosis. If the tissue is confined in a fixed volume, it reaches a homeostatic state in which division and apoptosis balance. In this state, cells undergo a diffusive random motion driven by the stochasticity of division and apoptosis. We calculate the effective diffusion coefficient as a function of the tissue parameters and compare our results concerning both diffusion and viscosity to simulations of multicellular systems. Introducing a second material component that accounts for the extracellular fluid, we show that a finite permeability of the tissue gives rise to additional mechanical effects. In the limit of long times, the mechanical response of the tissue to external perturbations is confined to a region of which the size depends on the ratio of tissue viscosity and cell-fluid friction. The two-component description furthermore allows to clearly distinguish the different contributions to the isotropic part of the mechanical stress, i.e., the fluid pressure and the stress exerted by cells. Last but not least, we study the propagation of an interface between two different cell populations within a tissue driven by differences in the mechanical control of the rates of cell division and apoptosis. Combining simple analytical limits and numerical simulations, we distinguish two different modes of propagation of the more proliferative population: a diffusive regime in which relative fluxes dominate the expansion, and a propulsive regime in which the proliferation gives rise to dominating convective flows. / Die Entwicklung höherer Organismen beginnt mit einer einzelnen befruchteten Eizelle und endet beim erwachsenen Tier. Die vielen Prozesse, die zur endgültigen Form des entwickelten Organismus führen, werden als Morphogenese zusammengefasst; diese umfasst insbesondere das Wachstum von Geweben durch wiederholte Zellteilungszyklen. Während koordiniertes Gewebewachstum eine Voraussetzung normaler Entwicklung ist, führt übermäßige, unkontrollierte Zellteilung letztlich zu Krebs. In dieser Arbeit untersuchen wir den Einfluss von Zellteilung und Zelltod auf die Organisation von Zellen in Geweben. Die Dynamik wachsender Gewebe wird durch mechanische Bedingungen beeinflusst, die u.a.~Anlass zu Zellbewegungen sein können. Wir entwickeln eine Kontinuumsbeschreibung der Gewebedynamik, die die mechanischen Spannungen und das Zellströmungsfeld auf großen Skalen beschreibt. Zellteilung und Apoptose wirken als Spannungsquellen, die in der Regel anisotrop sind. Indem wir die Erhaltungsgleichung für die Zellanzahldichte mit dynamischen Gleichungen für die Spannungsquellen kombinieren, zeigen wir, dass sich das Gewebe effektiv wie eine viskoelastische Flüssigkeit verhält, deren Relaxationszeit von Zellteilungs- und Apoptose-Raten abhängt. Wenn das Gewebe in einem gegebenen Volumen eingeschlossen ist, erreicht es einen homöostatischen Zustand, in dem Zellteilung und der Apoptose im Gleichgewicht sind. In diesem Zustand unterliegen die Zellen einer diffusiven Bewegung aufgrund der Stochastizität von Zellteilung und Apoptose. Wir berechnen den effektiven Diffusionskoeffizienten als Funktion der Gewebeparameter und vergleichen unsere Ergebnisse sowohl hinsichtlich der Diffusion und als auch der Viskosität mit numerischen Simulationen solcher vielzelliger Systeme. Die Berücksichtigung der extrazellulären Flüssigkeit als einer zweiten Materialkomponente erlaubt uns zu zeigen, dass eine endliche Permeabilität des Gewebes zusätzliche mechanische Effekte bedingt. Auf langer Zeitskalen bleibt die mechanische Reaktion des Gewebes auf externe Störungen auf einen Bereich beschränkt, dessen Größe vom Verhältnis der Gewebeviskosität zum Permeabilitätskoeffizienten abhängt. Die Zweikomponenten-Beschreibung erlaubt darüber hinaus eine klare Unterscheidung der verschiedenen Beiträge zum isotropen Teil der mechanischen Spannung, d.h., des hydrodynamischen und des von Zellen ausgeübten Drucks. Zuletzt untersuchen wir die Dynamik einer Grenzfläche zwischen zwei verschiedenen Zellpopulationen innerhalb eines Gewebes, die durch Unterschiede in der mechanischen Kontrolle der effektiven Zellteilungsraten angetrieben wird. Mithilfe der Kombination einfacher analytischer Grenzfälle und numerischer Simulationen zeigen wir, dass zwei unterschiedliche Ausbreitungsmodi unterschieden werden können: ein diffusives Regime, in dem relative Flüsse die Expansion der stärker wachsenden Zellpopulation dominieren, sowie ein Regime, in dem die Grenzfläche durch konvektive Strömungen angetrieben wird. / Les organismes supérieurs se développent à partir d\'une seule cellule fécondée jusqu\'à l\'animal adulte. Les nombreux processus qui conduisent à la forme finale de l\'organisme sont connus sous le nom de morphogenèse, qui comprend notamment la croissance des tissus par des cycles répétés de division cellulaire. Alors que la croissance coordonnée des tissus est une condition nécessaire au développement des animaux, la division cellulaire excessive chez les animaux adultes est l\'ingrédient clé du cancer. Dans cette thèse, nous étudions l\'organisation collective des cellules par division et mort cellulaire. La dynamique multicellulaire des tissus en croissance est influencée par des conditions mécaniques et peut donner lieu à des réarrangements ainsi qu\'à des mouvements cellulaires. Nous élaborons une description continue de la dynamique des tissus qui décrit la distribution des contraintes et le champ d\'écoulement des cellules sur de grandes échelles. La division cellulaire et l\'apoptose introduisent des sources de contraintes qui, en général, sont anisotropes. En combinant l\'équation de conservation du nombre de cellules avec des équations dynamiques des sources de contraintes, nous montrons que le tissu se comporte de manière effective comme un fluide viscoélastique avec un temps de relaxation fixé par les taux de division et d\'apoptose. Si le tissu est confiné dans un volume donné, il atteint un état homéostatique dans lequel division et apoptose s\'équilibrent. Dans cet état, les cellules subissent un mouvement diffusif aléatoire dû à la stochasticité de la division et de l\'apoptose. Nous calculons le coefficient de diffusion effectif en fonction des paramètres du tissu et comparons nos résultats concernant à la fois la diffusion et la viscosité à des simulations numériques de tels systèmes multicellulaires. En introduisant un deuxième composant qui représente le liquide extracellulaire, nous montrons qu\'une perméabilité finie du tissu donne lieu à des effets mécaniques supplémentaires. Dans la limite des temps longs, la réponse mécanique du tissu à des perturbations extérieures est confinée à une région dont la taille dépend du rapport entre la viscosité tissulaire et le coefficient de frottement entre les cellules et le liquide extracellulaire. La description à deux composants permet en outre de distinguer clairement les différentes contributions à la partie isotrope de la contrainte mécanique, c\'est-à-dire la pression du fluide et la contrainte exercée par les cellules. Finalement, nous étudions la propagation d\'une interface entre deux populations de cellules différentes, due à des différences dans le contrôle mécanique des taux de division et de mort cellulaire. En combinant de simples limites analytiques et des simulations numériques, nous distinguons deux modes de propagation différents de la population cellulaire la plus proliférante : un régime diffusif dans lequel les flux relatifs dominent l\'expansion, et un régime de propulsion dans lequel la prolifération domine et entraine des flux convectifs.

A bench-scale tubular reactor with recirculation was built in order to study the efficiency of the photocatalytic oxidation of phenol on fluidized titanium oxide-coated silica gel beads. A UV-C lamp placed along the central vertical axes of the reactor was used as source of photons. A bed of silica gel beads was fluidized by means of fluid recirculation and forced to follow upward helical flow around the lamp. Anatase was successfully synthetized on silica gel particles of average diameters 224, 357 and 461 µm, as confirmed by scanning electron micrographs, through a sol-gel technique using a titanium (iv)isopropoxide / hydrochloric acid / ethanol precursor. Data was obtained from multiple 8-hours photocatalytic experiments using a determined mass of beads fluidized in an aqueous solution of known initial phenol concentration. Contaminant degradation with irradiation time was measured as COD. Beads that had been subjected to three consecutive coating procedures produced an 8-h removal efficiency 10% higher than beads with a single coat. 20 g L-1 of silica beads was found to be the optimum load for the experimental reactor configuration regardless of beads size, although efficiency increased with decreasing size of the latter. Experimental results confirmed that the efficiency of phenol photocatalytic degradation decreases with increasing pollutant concentration. Also, the highest removal was achieved with initial pH 3, and it decreased with increasing pH. When NaCl was added to the solution, COD removal increased with increasing salinity. Additionally, it was found that dissolved oxygen is indispensable for photocatalysis to proceed, and that saturation of the treated mixture with oxygen was effectively achieved by keeping the liquid surface in contact with pure oxygen at 1 atm. Finally, statistical analysis of the data showed that photocatalytic mineralization of phenol-derived COD under the experimental conditions follows exponential decay. Based on this finding, a correlation model was proposed for the accurate prediction (minimum R2 = 0.9840) of the COD removal efficiency of the reactor for any given initial COD.

Gas-solid fluidized bed reactors are widely applied in chemical and energy industries, and their design and scale-up are virtually empirical, extremely expensive and time consuming. This scenario has motivated the development of alternative theoretical tools, and two-fluid modeling, where gas and particulate are both treated as interpenetrating continuum phases, has appeared as a most promising approach. Owing to the large domains to be resolved in real-scale fluidized bed reactors, only filtered modeling approaches are feasible, and closure models become necessary to recover sub-grid effects that are filtered by the very coarse numerical grids that are imposed owing to computational limitations. Those closure models, which in hydrodynamic formulations account for filtered interphase momentum exchanges and filtered and residual stresses in the phases, can be derived from results of highly resolved simulations (HRS) performed over small size domains under refined numerical grids. One widely practiced approach consists of applying two-fluid modeling under micro-scale defined closures, generally known as microscopic two-fluid modeling. This approach includes microscopic closures for solid phase stresses derived from the kinetic theory of granular flows (KTGF), which accounts for kinetic-collisional effects only, and is adequate to dilute flows. Otherwise, the conventional KTGF does not account for interparticle friction effects, and its application to dense flow conditions is quite questionable. In this work a literature available modified version of KTGF is applied which also accounts for interparticle friction, and highly resolved simulations are performed for dense flow conditions in order to evaluate the effects of friction over relevant filtered parameters (namely effective drag coefficient, filtered and residual stresses). Ranges of domain average solid volume fractions and gas Reynolds numbers are considered (macro-scale conditions) embracing dense gas-solid fluidized flows from suspensions up to pneumatic transport. The MFIX open source code is used in all the simulations, which are performed over 2D periodical domains for a unique monodisperse particulate. The HRS results (i.e. meso-scale flow fields) are filtered over regions compatible with grid sizes in large scale simulations, and the relevant filtered parameters of concern are derived and classified by ranges of other filtered parameters taken as independent variables (filtered solid volume fraction, filtered slip velocity, and filtered kinetic energy of solid velocity fluctuations, which are referred to as markers). Results show that the relevant filtered parameters of concern are well correlated to all of those filtered markers, and also to all of the imposed macro-scale conditions. Otherwise, interparticle friction showed no significant effects over any filtered parameter. It is recognized that this issue clearly requires further investigation notably regarding the suitability of the markers that were assumed for classifying the filtered results. The current work is intended as a contribution for future developments of more accurate closure models for large scale simulations of gas-solid fluidized flows. / Reatores de leito fluidizado de escoamento gás-sólido são largamente utilizados nas indústrias química e de energia, e o seu projeto e escalonamento são virtualmente empíricos, extremamente caros e demorados. Este cenário tem motivado o desenvolvimento de ferramentas teóricas alternativas, e a modelagem de dois fluidos, onde gás e particulado são ambos tratados com fases contínuas interpenetrantes, tem surgido como uma aproximação muito promissora. Devido aos grandes domínios a serem resolvidos em reatores de leito fluidizado de escala real, apenas aproximações de modelagem filtradas são viáveis, e modelos de fechamento tornam-se necessários para recuperar efeitos sub-malha que são filtrados pelas malhas numéricas grosseiras que são impostas devido as limitações computacionais. Estes modelos de fechamento, que em formulações hidrodinâmicas respondem principalmente por trocas de momentum filtradas entre fases e tensões filtradas e residuais nas fases, podem ser obtidos de resultados de simulações altamente resolvidas (SAR) realizadas em domínios de dimensões reduzidas sob malhas numéricas refinadas. Uma aproximação largamente praticada consiste na aplicação de modelagem de dois fluidos sob fechamentos definidos na micro-escala, genericamente conhecida como modelagem microscópica de dois fluidos. Esta aproximação inclui fechamentos microscópicos para tensões da fase sólida obtidos da teoria cinética dos escoamentos granulares (TCEG), que considera apenas efeitos cinéticos-colisionais, e é adequada para escoamentos diluídos. Por outro lado, a TCEG convencional não leva em conta efeitos de fricção interpartículas, e sua aplicação para condições densas de escoamento é bastante questionável. Neste trabalho aplica-se uma versão modificada da TCEG disponível na literatura que também leva em conta fricção interpartículas, e simulações altamente resolvidas são realizadas para condições de escoamentos densos visando avaliar os efeitos da fricção sobre os parâmetros filtrados relevantes (coeficiente de arrasto efetivo, tensões filtradas e residuais). Considera-se faixas de frações volumétricas de sólido e números de Reynolds do gás médios no domínio (condições de macro-escala) abrangendo escoamentos gás-sólido fluidizados densos desde suspensões até transporte pneumático. O código aberto MFIX é utilizado em todas as simulações, que foram executadas sobre domínios periódicos 2D para um único particulado monodisperso. Os resultados das SAR (i.e., campos de escoamento de meso-escala) foram filtrados sobre regiões compatíveis com tamanhos de malha praticados em simulações de grandes escalas, e os parâmetros filtrados relevantes de interesse são calculados e classificados por faixas de outros parâmetros filtrados tomados como variáveis independentes (fração volumétrica de sólido filtrada, velocidade de deslizamento filtrada, e energia cinética das flutuações de velocidade da fase sólida filtrada, que são referidos como marcadores). Os resultados mostram que os parâmetros filtrados relevantes de interesse são bem correlacionados com todos os marcadores, e também com todas as condições de macro-escala impostas. Por outro lado, a fricção interpartículas não mostrou efeitos significativos sobre qualquer parâmetro filtrado. Reconhece-se que este aspecto claramente requer investigações adicionais, notadamente com respeito à adequação dos marcadores que foram considerados para classificação dos resultados filtrados. O trabalho corrente é posto como uma contribuição para o desenvolvimento futuro de modelos de fechamento mais acurados para simulações de grandes escalas de escoamentos gás-sólido fluidizados.

Aquesta tesi permet adquirir una millor comprensió de la dinàmica dels plomalls hidrotèrmics en l'estany de Banyoles i correlacionar la meteorologia amb els processos de fluïdització que s'hi produeixen. S'han trobat els patrons atmosfèrics que generen els esdeveniments de les fluïditzacions així com la seva freqüència. Això és crucial per a determinar la qualitat de l'aigua de l'estany. S'han trobat inhomogeneïtats espacials tant en el plomall crònic que es desenvolupa en la cubeta B1, com en el plomall episòdic de la cubeta B2. S'ha caracteritzat l'estructura del plomall generat a la cubeta B2 i s'ha comparat amb el desenvolupat a la cubeta B1. Finalment, s'han realitzat simulacions numèriques mitjançant un model numèric: MIT General Circulation Model, en el qual s'ha hagut de fer canvis en les condicions de contorn per a situar la font convectiva al fons de la columna d'aigua. Les simulacions s'han comparat amb els resultats experimentals trobats mitjançant campanyes. / The aim of this thesis is to acquire a better understanding of the dynamics of the hydrothermal plumes in the lake and to gain more insight into the interrelationship between meteorology and fluidization. They have been found the atmospheric patterns that generate the fluidization events, as well as their frequency. This is crucial to determining the water quality of Lake Banyoles. They have been found spatial inhomogeneities of the chronic thermal plume found in B1 and of the episodic thermal plume in B2. The structure of thermal plume in B2 has been characterized and compared to the plume developed in B1. Finally, it has been used a numerical model: MIT General Circulation Model. It has been necessary to modify the boundary conditions moving the buoyancy source from the top of the water surface to the bottom. Results have been compared to experimental data undertaken from the field campaigns.

Cette thèse s’inscrit dans le cadre du développement d’un combustible nucléaire faiblement enrichi pour les réacteurs de recherche, constitué de particules d’uranium-molybdène mélangées à une matrice d’aluminium. Dans certaines conditions sous irradiations, les particules d’U(Mo) interagissent avec la matrice d’aluminium, provoquant un gonflement rédhibitoire de la plaque combustible. Pour inhiber ce phénomène, une solution consiste à déposer, à la surface des particules d’U(Mo), une fine couche de silicium, pour créer un effet barrière. Cette thèse a concerné l’étude du procédé de dépôt chimique à partir d’une phase vapeur (CVD) en lit fluidisé à partir de silane pour déposer le silicium sur la poudre d’U(Mo), qui a une densité exceptionnelle de 17,5. Pour atteindre cet objectif, deux axes d’études ont été traités au cours de la thèse : l’étude et l’optimisation de la mise en fluidisation d’une poudre aussi dense, puis celles du procédé de dépôt de silicium. Pour le premier axe, une campagne d’essais a été réalisée sur poudre simulante de tungstène dans différentes colonnes de fluidisation en verre et en acier avec des diamètres internes compris entre 2 et 5 cm, à température ambiante et à haute température (650°C), proche de celle des dépôts. Cette campagne a permis d’identifier des phénomènes d’effets de bord au sein du lit fluidisé, pouvant conduire à des dépôts hétérogènes ou à des prises en masse. Des dimensions de colonnes de fluidisation et des conditions opératoires permettant une fluidisation satisfaisante de la poudre ont pu être identifiées, ouvrant la voie à l’étude du dépôt de silicium. Plusieurs campagnes d’essais de dépôt sur poudre simulante, puis sur poudre U(Mo), ont ensuite été menées dans le cadre du second axe d’étude. L’influence de la température du lit, de la fraction molaire d’entrée en silane dilué dans l’argon, et du débit total de fluidisation, a été étudiée pour différents diamètres de réacteur et pour diverses masses de poudre. Des analyses de caractérisation morphologique et structurale (MEB, DRX...) ont révélé un dépôt de silicium uniforme sur toute la poudre et autour de chaque grain, majoritairement cristallisé et dont l’épaisseur atteint les objectifs visés. Des recommandations précises ont ainsi pu être émises pour optimiser les caractéristiques du dépôt de silicium sur la poudre combustible U(Mo) par le procédé de CVD en lit fluidisé. / This thesis is part of the development of low-enriched nuclear fuel, for the Materials Test Reactors (MTRs), constituted of uranium-molybdenum particles mixed with an aluminum matrix. Under certain conditions under irradiations, the U(Mo) particles interact with the aluminum matrix, causing unacceptable swelling of the fuel plate. To inhibit this phenomenon, one solution consists in depositing on the surface of the U(Mo) particles, a thin silicon layer to create a barrier effect. This thesis has concerned the study of the fluidized bed chemical vapor deposition (CVD) process to deposit silicon from silane, on the U(Mo) powder, which has an exceptional density of 17,500 kg/m3. To achieve this goal, two axes were treated during the thesis: the study and the optimization of the fluidization of a so dense powder, and then those of the silicon deposition process. For the first axis, a series of tests was performed on a surrogate tungsten powder in different columns made of glass and made of steel with internal diameters ranging from 2 to 5 cm, at room temperature and at high temperature (650°C) close to that of the deposits. These experiments helped to identify wall effects phenomena within the fluidized bed, which can lead to heterogeneous deposits or particles agglomeration. Some dimensions of the fluidization columns and operating conditions allowing a satisfactory fluidization of the powder were identified, paving the way for the study of silicon deposition. Several campaigns of deposition experiments on the surrogate powder and then on the U(Mo) powder were carried out in the second axis of the study. The influence of the bed temperature, the inlet molar fraction of silane diluted in argon, and the total gas flow of fluidization, was examined for different diameters of reactor and for various masses of powder. Morphological and structural characterization analyses (SEM, XRD…) revealed a uniform silicon deposition on all the powder and around each particle, mostly crystallized and whose thickness reached the objectives. Specific recommendations were proposed to optimize the characteristics of the silicon deposit on the U(Mo) powder by the fluidized bed CVD process.

Gas-solid fluidized bed reactors are widely applied in chemical and energy industries, and their design and scale-up are virtually empirical, extremely expensive and time consuming. This scenario has motivated the development of alternative theoretical tools, and two-fluid modeling, where gas and particulate are both treated as interpenetrating continuum phases, has appeared as a most promising approach. Owing to the large domains to be resolved in real-scale fluidized bed reactors, only filtered modeling approaches are feasible, and closure models become necessary to recover sub-grid effects that are filtered by the very coarse numerical grids that are imposed owing to computational limitations. Those closure models, which in hydrodynamic formulations account for filtered interphase momentum exchanges and filtered and residual stresses in the phases, can be derived from results of highly resolved simulations (HRS) performed over small size domains under refined numerical grids. One widely practiced approach consists of applying two-fluid modeling under micro-scale defined closures, generally known as microscopic two-fluid modeling. This approach includes microscopic closures for solid phase stresses derived from the kinetic theory of granular flows (KTGF), which accounts for kinetic-collisional effects only, and is adequate to dilute flows. Otherwise, the conventional KTGF does not account for interparticle friction effects, and its application to dense flow conditions is quite questionable. In this work a literature available modified version of KTGF is applied which also accounts for interparticle friction, and highly resolved simulations are performed for dense flow conditions in order to evaluate the effects of friction over relevant filtered parameters (namely effective drag coefficient, filtered and residual stresses). Ranges of domain average solid volume fractions and gas Reynolds numbers are considered (macro-scale conditions) embracing dense gas-solid fluidized flows from suspensions up to pneumatic transport. The MFIX open source code is used in all the simulations, which are performed over 2D periodical domains for a unique monodisperse particulate. The HRS results (i.e. meso-scale flow fields) are filtered over regions compatible with grid sizes in large scale simulations, and the relevant filtered parameters of concern are derived and classified by ranges of other filtered parameters taken as independent variables (filtered solid volume fraction, filtered slip velocity, and filtered kinetic energy of solid velocity fluctuations, which are referred to as markers). Results show that the relevant filtered parameters of concern are well correlated to all of those filtered markers, and also to all of the imposed macro-scale conditions. Otherwise, interparticle friction showed no significant effects over any filtered parameter. It is recognized that this issue clearly requires further investigation notably regarding the suitability of the markers that were assumed for classifying the filtered results. The current work is intended as a contribution for future developments of more accurate closure models for large scale simulations of gas-solid fluidized flows. / Reatores de leito fluidizado de escoamento gás-sólido são largamente utilizados nas indústrias química e de energia, e o seu projeto e escalonamento são virtualmente empíricos, extremamente caros e demorados. Este cenário tem motivado o desenvolvimento de ferramentas teóricas alternativas, e a modelagem de dois fluidos, onde gás e particulado são ambos tratados com fases contínuas interpenetrantes, tem surgido como uma aproximação muito promissora. Devido aos grandes domínios a serem resolvidos em reatores de leito fluidizado de escala real, apenas aproximações de modelagem filtradas são viáveis, e modelos de fechamento tornam-se necessários para recuperar efeitos sub-malha que são filtrados pelas malhas numéricas grosseiras que são impostas devido as limitações computacionais. Estes modelos de fechamento, que em formulações hidrodinâmicas respondem principalmente por trocas de momentum filtradas entre fases e tensões filtradas e residuais nas fases, podem ser obtidos de resultados de simulações altamente resolvidas (SAR) realizadas em domínios de dimensões reduzidas sob malhas numéricas refinadas. Uma aproximação largamente praticada consiste na aplicação de modelagem de dois fluidos sob fechamentos definidos na micro-escala, genericamente conhecida como modelagem microscópica de dois fluidos. Esta aproximação inclui fechamentos microscópicos para tensões da fase sólida obtidos da teoria cinética dos escoamentos granulares (TCEG), que considera apenas efeitos cinéticos-colisionais, e é adequada para escoamentos diluídos. Por outro lado, a TCEG convencional não leva em conta efeitos de fricção interpartículas, e sua aplicação para condições densas de escoamento é bastante questionável. Neste trabalho aplica-se uma versão modificada da TCEG disponível na literatura que também leva em conta fricção interpartículas, e simulações altamente resolvidas são realizadas para condições de escoamentos densos visando avaliar os efeitos da fricção sobre os parâmetros filtrados relevantes (coeficiente de arrasto efetivo, tensões filtradas e residuais). Considera-se faixas de frações volumétricas de sólido e números de Reynolds do gás médios no domínio (condições de macro-escala) abrangendo escoamentos gás-sólido fluidizados densos desde suspensões até transporte pneumático. O código aberto MFIX é utilizado em todas as simulações, que foram executadas sobre domínios periódicos 2D para um único particulado monodisperso. Os resultados das SAR (i.e., campos de escoamento de meso-escala) foram filtrados sobre regiões compatíveis com tamanhos de malha praticados em simulações de grandes escalas, e os parâmetros filtrados relevantes de interesse são calculados e classificados por faixas de outros parâmetros filtrados tomados como variáveis independentes (fração volumétrica de sólido filtrada, velocidade de deslizamento filtrada, e energia cinética das flutuações de velocidade da fase sólida filtrada, que são referidos como marcadores). Os resultados mostram que os parâmetros filtrados relevantes de interesse são bem correlacionados com todos os marcadores, e também com todas as condições de macro-escala impostas. Por outro lado, a fricção interpartículas não mostrou efeitos significativos sobre qualquer parâmetro filtrado. Reconhece-se que este aspecto claramente requer investigações adicionais, notadamente com respeito à adequação dos marcadores que foram considerados para classificação dos resultados filtrados. O trabalho corrente é posto como uma contribuição para o desenvolvimento futuro de modelos de fechamento mais acurados para simulações de grandes escalas de escoamentos gás-sólido fluidizados.

Ce travail de thèse a pour objet l’étude numérique et expérimentale de la déstabilisation de milieux granulaires immergés par fluidisation. Cette instabilité hydromécanique est un mécanisme précurseur de l’érosion régressive, processus de dégradation au coeur de la problématique de l’érosion interne des ouvrages hydrauliques en terre. La compréhension de ces mécanismes d’érosion nécessite une description rigoureuse du couplage et de l’interaction entre le fluide et les particules de sol. A cette fin, un modèle 2D a été utilisé en couplant deux méthodes particulaires, la méthode des éléments discrets (DEM) pour modéliser le comportement mécanique de la phase solide et la méthode Lattice Boltzmann (LBM) pour la phase fluide. Des expériences servant de validation à cette simulation numérique 2D ont également été réalisées en s’appuyant sur une technique de visualisation interne d’un empilement granulaire combinant l’ajustement d’indice de réfraction des deux phases et la fluorescence induite par plan laser. / The subject of this thesis is the numerical analysis and experimental investigation of the destabilization of submerged granular media caused by fluidization. This hydromechanical instability is one of the mechanisms that may trigger the regressive erosion, which is one of the main degradation phenomena driving the internal erosion of earthen hydraulic constructions. Such erosion mechanisms can only be understood through a rigorous description of the coupling and interaction between the eroding fluid and the soil particles. For this purpose, a 2D model has been used coupling two different numerical techniques, namely the discrete element method (DEM) for modelling the mechanical behaviour of the solid phase and the Lattice Boltzmann method (LBM) for the fluid phase. The experimental validation of this numerical 2D simulation has been carried out using two optical techniques for the internal visualization of a granular sample, namely the adjustment of the refraction index of the two phases and the laser-induced fluorescence.