Es wurde ein neues Zweifluidmodell entwickelt, um Nichtgleichgewichtseffekte in kritischen und nahkritischen Ein-komponenten-Zweiphasenströmungen von anfänglich unter-kühlten oder siedenden Fluiden durch Rohre und Düsen zu untersuchen. Das vorgeschlagene Sechs-Gleichungsmodell besteht aus den phasenbezogenen Erhaltungsgleichungen für Masse und Impuls, der Bilanzgleichung für die thermische Energie der flüssigen Phase sowie einer zusätzlichen Transport-gleichung für die volumetrische Blasenanzahl. Zur Lösung des Systems aus partiellen Differentialgleichungen wird ein semi-implizites Finite-Differenzen-Zeitschrittverfahren angewendet. Die Schließung des Gleichungssystems wird durch Einbindung thermodynamischer Beziehungen und konstitutiver Gleichungen, die den strömungsformabhängigen Impuls-, Wärme- und Stofftransport beschreiben, erreicht. Für Strömungssysteme mit spontaner Entspannungsverdampfung aus dem rein flüssigen Zustand (Flashing) werden verschiedene Keimbildungsmodelle eingesetzt, die den Anfangszustand der verzögerten Dampfbildung beschreiben. Auf diese Weise werden thermodynamische Nichtgleichgewichtszustände als Folge von Zuständen mit für die Aktivierung von Keimstellen benötigtem Energieüberschuß, eingeschränkt vorhandener Phasengrenzfläche sowie begrenzter Wärmeübertragung zwischen den Phasen betrachtet. Abweichungen vom fluid-dynamischen Gleichgewicht (Phasenschlupf) ergeben sich aufgrund unterschiedlicher Trägheitseigenschaften und verschieden stark ausgeprägter mechanischer Kopplung zwischen den Phasen. Die mit diesem Modell erhaltenen numerischen Ergebnisse stimmen gut mit experimentellen Werten für Zweiphasen-strömungen mit unterschiedlichen Eintrittsbedingungen und Kanalgeometrien überein. / A new two-fluid flow model has been developed in order to examine non-equilibrium effects in critical and near-critical one-component two-phase flows of initially subcooled or saturated fluids through pipes and nozzles. The six-equation model proposed consists of the phasic conservation equations of mass and momentum, the liquid thermal energy, and of an additional transport equation for the bubble number density. To solve for the unknowns of the system of partial differential equations, a semi-implicit finite difference time-marching method is utilized. The closure of the set of equations is accomplished by thermodynamic relationships and additional constitutive equations describing momentum transport, interphase heat, and mass transfer which account for different flow regimes. For fluid flow systems undergoing a sudden change of phase from the pure liquid state (flashing), distinct nucleation models are included to describe the initial state of delayed vapor generation. In this way thermal non-equilibrium states are considered to be the consequence of excessive energy states required to activate nucleation sites, of restricted interfacial area and limited heat transfer between the phases. Deviation from fluid-dynamic equilibrium (phasic slip) results from different inertial properties and from distinct strength of mechanical coupling between the phases. The numerical results obtained with this model agree quite well with experimental data for two-phase flows with various inlet conditions and channel geometries.

[pt] O modelo de Dois-Fluidos 1D vem sendo usado de forma abrangente em simulações industriais para prever escoamentos bifásicos em dutos. Avanços recentes na metodologia de Regime Capturing permitem a detecção das transições entre padrões de escoamento através do crescimento de instabilidades interfaciais. Contudo, devido aos procedimentos de média necessários para a redução da dimensionalidade do problema, perdas de informação tornam o modelo mal posto, i.e., perturbações de comprimentos de onda curtos são amplificados a taxas ilimitadas e soluções não físicas são obtidas. Relações de fechamento possuem um papel chave nesse problema, uma vez que estas são necessárias para fechar o sistema 1D e reintroduzem os mecanismos físicos perdidos que podem estabilizar o escoamento e tornar o modelo bem-posto. O presente trabalho propõe um modelo para o parâmetro de fluxo de quantidade de movimento da fase líquida (ou fator de forma), baseado na distribuição da velocidade do filme, que depende das grandezas locais do escoamento. A Teoria de Estabilidade Linear (LST) pode ser usada para avaliar a influência dos parâmetros de fechamento no crescimento de perturbações e na hiperbolicidade do modelo. A abordagem viscosa da análise de estabilidade diferencial de Kelvin-Helmholtz e a análise discreta de von Neumann são realizadas para avaliar relações de fechamento comumente utilizadas na literatura, bem como as formulações propostas para o parâmetro de fluxo. Simulações numéricas são realizadas, e relações de dispersão numéricas são extraídas dos resultados para verificar as previsões com os dados da LST. Uma avaliação numérica rigorosa dos novos modelos do parâmetro de fluxo com um grande banco de dados experimental é realizada. Os resultados mostraram que as correlações propostas superam os valores padrão constantes de fator de forma para avaliações de gradiente de pressão e espessura do filme de líquido. Os modelos também mostraram melhor consistência ao longo do extenso banco de dados. / [en] The 1D Two-Fluid model has been widely used in industrial simulations to predict two-phase flows in pipelines. Recent advances of the Regime Capturing methodology allow for the detection of flow pattern transitions from the onset and development of interfacial instabilities. However, due to the averaging processes required to reduce the dimensionality of the problem, the loss of information renders the model ill-posed, i.e., short wavelengths disturbances are amplified at an unbounded rate and unphysical solutions are obtained. Closure relations play a key role in this problem, since they are required to close the 1D system. Further, the reintroduction of the missing physics may stabilize the flow and render the model well-posed. The present work proposes a model for the liquid momentum flux parameter based on the liquid film velocity profile that is dependent on the local flow quantities. Linear Stability Theory (LST) can be used to assess the influence of closure parameters in the growth of disturbances and to evaluate the hyperbolicity of the model. A viscous approach of the differential Kelvin-Helmholtz and a discrete von Neumann stability analyses are performed to evaluate commonly employed closure models and the proposed formulations for the liquid momentum flux parameter. Numerical simulations are performed, and numerical dispersion relations are extracted from the results to verify the predictions against LST data. A rigorous numerical evaluation of the novel momentum flux parameter models against a large experimental database taken from the literature is carried out. Results show that the proposed models outperform the standard constant 𝐶𝐿 values for both pressure drop and liquid film thickness. The models also showed better overall consistency throughout the extensive experimental database.

<p>To improve the prediction of two-phase local structure and heat transfer in subcooled boiling flow, the wall nucleation phenomenon was studied to accurately model the wall source term in the interfacial area transport equation (IATE) for the use with the two-fluid model. The existing experimental datasets and modeling works of departure diameter, departure frequency and active nucleation site density were comprehensively reviewed. Since these parameters are coupled in the bubble ebullition cycles, simultaneous measurements of departure diameter, departure frequency and active nucleation site density were performed in a vertical annular test section. The ranges of the existing experimental database were extended to high pressure and high heat flux conditions. The stochastic characteristics of the departure diameter and departure frequency measured from a single nucleation site and over multiple nucleation sites were investigated. Significant variations between different nucleation sites were observed. A parametric study of departure diameter, departure frequency and nucleation site density were conducted at varying system pressure, heat flux, flow rate and subcooling conditions. The existing models of these parameters were evaluated with the experimental dataset of the existing and the present works. Significant discrepancies were observed between model predictions and experimental data, which indicates that the mechanism of nucleate boiling is not fully understood. The heat flux partitioning model was also evaluated. The results show that the heat flux at high pressure or low flow rate conditions was significantly underestimated. This may suggest that major heat transfer mechanisms are missing in the heat flux partitioning model.</p>

Roterugnar är cylindriska kärl som används för att höja materials temperaturer i en kontinuerlig process som kallas för kalcinering. Roterugnar kan tillämpas i olika processer såsom reduktion av oxidmalm samt återvinning av farligt avfall. Fördelen med roterugnar ligger i dess förmåga att hantera råmaterial som sträcker sig från slam till granulära material med en mängd olika partikelstorlekar, och därigenom upprätthålla distinkta miljöer såsom en bädd av fasta partiklar som samexisterar med ett oxiderande fribord. Sex olika bäddbeteende har dokumenterats med avseende på fyllningsgrad samt Froude nummer. Syftet med denna studie var att utveckla en tvådimensionell suspensions modell med CFD genom att använda den kommersiella mjukvaran COMSOL 5.5 för att simulera de två faser, gas och fast, som en blandad fas efter verk av Philips et. al., Physics of Fluids A: Fluid Dynamics 4.1 (1992) 30-40 och Acrivos &amp; Zhang., International Journal Multiphase Flow 20.3 (1994) 579-591. Denna modell undersöktes genom att jämföra den med de dokumenterade flödesregimerna samt genom parameter som partikelstorlek, partikeldensitet och viskositeten hos gas i flödesregimen känd som rullande läge. Dessutom undersöktes temperaturprofilen för den roterande ugnen genom att utforska hur blandningsvariationer av den fasta bädden i den roterande ugnen påverkas av värmeöverföringen när värme tillförs från väggen under rullande läge. Resultaten av den tvådimensionella suspension modellen visade att det var bara möjligt att simulera glidläge korrekt; andra lägen kunde inte beskrivas som dokumenterat i litteraturen. Det indikeras att vilovinkeln och viskösa krafter i den roterande ugnen var låga vilket resulterade i att suspensions modellen inte kunde avbilda exakt de återstående flödesregimerna som dokumenterat. Till exempel avbildades rullningsläget mer likt forsandeläge då partiklarna fall fritt efter höjning av bädden. Partikelstorlek och partikeldensitet har visat sig ha en betydande påverkan på suspensions modellen eftersom de viskösa krafterna blir låga för en partikelstorlek och partikeldensitet under 0,4 mm respektive 1500 kg/m3. Angående gasens viskositet visades det sig att ju närmare värdet 2.055e-3 (Pa*s) den blev desto större blev sedimentationsflödet vilket resulterade i att bäddpartiklarna dras ner och förblir där. Suspensions modellen kunde således simulera en fast och flytande fas och inte en gasfas som avsett. Slutligen visade temperaturanalysen att påverkan av den termiska konduktiviteten var mer signifikant än den specifika värmekapaciteten i intervallet 1 - 50 (W/(m*K)) respektive 300 - 800 (J/(kg*K)) på grund av den tid det tog att nå en homogen temperaturprofil. / Rotary kilns are cylindrical vessels used to raise materials temperature in a continuous process known as calcination. Rotary kilns find application in various processes such as reduction of oxide ore and hazardous waste reclamation. The advantage of the rotary kiln lies in its ability to handle feedstock ranging from slurries to granular materials with a variety of particle size, thereby maintaining distinct environments such as a bed of solid particles coexisting with an oxidising freeboard. Six different bed behaviours within the kiln have been documented with respect to the filling degree and Froude number. The aim of this study was to develop a two-dimensional suspension model with CFD by using the commercial software COMSOL 5.5 to simulate the two phases, gas and solid, as a mixed phase, following the works of Philips et. al., Physics of Fluids A:  Fluid Dynamics 4.1 (1992) 30-40 and Acrivos &amp; Zhang., International Journal Multiphase Flow 20.3 (1994) 579-591. This model was investigated by comparing it against the documented flow regimes as well as through parameters such as particle size, particle density and viscosity of gas in the flow regime known as rolling mode. In addition, the temperature profile of the rotary kiln was investigated by exploring how the mixture variation of the solid bed within the rotary kiln affects the heat transfer when heat is supplied from the wall during a rolling mode. The results of the two-dimensional suspension model showed that it was only possible to simulate the slipping mode accurately; others mode could not be described as documented in literature. It is indicated that the angle of repose and viscous forces within the rotary kiln were low resulting in the suspension model not being able to accurately depict the remaining flow regimes as documented. For instance, the rolling mode was depicted more as a cataracting mode due to the free fall of particles after elevation of the bed. The particle size and the particle density were found to have a significant impact on the suspension model as the viscous forces became low for a particle size and particle density below 0.4 mm and 1500 kg/m3 respectively. As for the viscosity of gas it was found that the closer it got to the value 2.055e-3 (Pa*s) the sedimentation flux became too large resulting in the bed particles being pulled down and remaining there. Thus, the suspension model could simulate a solid and liquid phase and not a gas phase as intended. Lastly, the temperature analysis revealed that the impact of the thermal conductivity was more significant than the specific heat capacity in the range of 1 - 50 (W/(m*K)) and 300 - 800 (J/(kg*K)) respectively, due to the time it took to reach a homogeneous temperature profile.

The study and modelling of two-phase flow, even the simplest ones such as the bubbly flow, remains a challenge that requires exploring the physical phenomena from different spatial and temporal resolution levels. CFD (Computational Fluid Dynamics) is a widespread and promising tool for modelling, but nowadays, there is no single approach or method to predict the dynamics of these systems at the different resolution levels providing enough precision of the results. The inherent difficulties of the events occurring in this flow, mainly those related with the interface between phases, makes that low or intermediate resolution level approaches as system codes (RELAP, TRACE, ...) or 3D TFM (Two-Fluid Model) have significant issues to reproduce acceptable results, unless well-known scenarios and global values are considered. Instead, methods based on high resolution level such as Interfacial Tracking Method (ITM) or Volume Of Fluid (VOF) require a high computational effort that makes unfeasible its use in complex systems. In this thesis, an open-source simulation framework has been designed and developed using the OpenFOAM library to analyze the cases from microescale to macroscale levels. The different approaches and the information that is required in each one of them have been studied for bubbly flow. In the first part, the dynamics of single bubbles at a high resolution level have been examined through VOF. This technique has allowed to obtain accurate results related to the bubble formation, terminal velocity, path, wake and instabilities produced by the wake. However, this approach has been impractical for real scenarios with more than dozens of bubbles. Alternatively, this thesis proposes a CFD Discrete Element Method (CFD-DEM) technique, where each bubble is represented discretely. A novel solver for bubbly flow has been developed in this thesis. This includes a large number of improvements necessary to reproduce the bubble-bubble and bubble-wall interactions, turbulence, velocity seen by the bubbles, momentum and mass exchange term over the cells or bubble expansion, among others. But also new implementations as an algorithm to seed the bubbles in the system have been incorporated. As a result, this new solver gives more accurate results as the provided up to date. Following the decrease on resolution level, and therefore the required computational resources, a 3D TFM have been developed with a population balance equation solved with an implementation of the Quadrature Method Of Moments (QMOM). The solver is implemented with the same closure models as the CFD-DEM to analyze the effects involved with the lost of information due to the averaging of the instantaneous Navier-Stokes equation. The analysis of the results with CFD-DEM reveals the discrepancies found by considering averaged values and homogeneous flow in the models of the classical TFM formulation. Finally, for the lowest resolution level approach, the system code RELAP5/MOD3 is used for modelling the bubbly flow regime. The code has been modified to reproduce properly the two-phase flow characteristics in vertical pipes, comparing the performance of the calculation of the drag term based on drift-velocity and drag coefficient approaches. / El estudio y modelado de flujos bifásicos, incluso los más simples como el bubbly flow, sigue siendo un reto que conlleva aproximarse a los fenómenos físicos que lo rigen desde diferentes niveles de resolución espacial y temporal. El uso de códigos CFD (Computational Fluid Dynamics) como herramienta de modelado está muy extendida y resulta prometedora, pero hoy por hoy, no existe una única aproximación o técnica de resolución que permita predecir la dinámica de estos sistemas en los diferentes niveles de resolución, y que ofrezca suficiente precisión en sus resultados. La dificultad intrínseca de los fenómenos que allí ocurren, sobre todo los ligados a la interfase entre ambas fases, hace que los códigos de bajo o medio nivel de resolución, como pueden ser los códigos de sistema (RELAP, TRACE, etc.) o los basados en aproximaciones 3D TFM (Two-Fluid Model) tengan serios problemas para ofrecer resultados aceptables, a no ser que se trate de escenarios muy conocidos y se busquen resultados globales. En cambio, códigos basados en alto nivel de resolución, como los que utilizan VOF (Volume Of Fluid), requirieren de un esfuerzo computacional tan elevado que no pueden ser aplicados a sistemas complejos. En esta tesis, mediante el uso de la librería OpenFOAM se ha creado un marco de simulación de código abierto para analizar los escenarios desde niveles de resolución de microescala a macroescala, analizando las diferentes aproximaciones, así como la información que es necesaria aportar en cada una de ellas, para el estudio del régimen de bubbly flow. En la primera parte se estudia la dinámica de burbujas individuales a un alto nivel de resolución mediante el uso del método VOF (Volume Of Fluid). Esta técnica ha permitido obtener resultados precisos como la formación de la burbuja, velocidad terminal, camino recorrido, estela producida por la burbuja e inestabilidades que produce en su camino. Pero esta aproximación resulta inviable para entornos reales con la participación de más de unas pocas decenas de burbujas. Como alternativa, se propone el uso de técnicas CFD-DEM (Discrete Element Methods) en la que se representa a las burbujas como partículas discretas. En esta tesis se ha desarrollado un nuevo solver para bubbly flow en el que se han añadido un gran número de nuevos modelos, como los necesarios para contemplar los choques entre burbujas o con las paredes, la turbulencia, la velocidad vista por las burbujas, la distribución del intercambio de momento y masas con el fluido en las diferentes celdas por cada una de las burbujas o la expansión de la fase gaseosa entre otros. Pero también se han tenido que incluir nuevos algoritmos como el necesario para inyectar de forma adecuada la fase gaseosa en el sistema. Este nuevo solver ofrece resultados con un nivel de resolución superior a los desarrollados hasta la fecha. Siguiendo con la reducción del nivel de resolución, y por tanto los recursos computacionales necesarios, se efectúa el desarrollo de un solver tridimensional de TFM en el que se ha implementado el método QMOM (Quadrature Method Of Moments) para resolver la ecuación de balance poblacional. El solver se desarrolla con los mismos modelos de cierre que el CFD-DEM para analizar los efectos relacionados con la pérdida de información debido al promediado de las ecuaciones instantáneas de Navier-Stokes. El análisis de resultados de CFD-DEM permite determinar las discrepancias encontradas por considerar los valores promediados y el flujo homogéneo de los modelos clásicos de TFM. Por último, como aproximación de nivel de resolución más bajo, se investiga el uso uso de códigos de sistema, utilizando el código RELAP5/MOD3 para analizar el modelado del flujo en condiciones de bubbly flow. El código es modificado para reproducir correctamente el flujo bifásico en tuberías verticales, comparando el comportamiento de aproximaciones para el cálculo del término d / L'estudi i modelatge de fluxos bifàsics, fins i tot els més simples com bubbly flow, segueix sent un repte que comporta aproximar-se als fenòmens físics que ho regeixen des de diferents nivells de resolució espacial i temporal. L'ús de codis CFD (Computational Fluid Dynamics) com a eina de modelatge està molt estesa i resulta prometedora, però ara per ara, no existeix una única aproximació o tècnica de resolució que permeta predir la dinàmica d'aquests sistemes en els diferents nivells de resolució, i que oferisca suficient precisió en els seus resultats. Les dificultat intrínseques dels fenòmens que allí ocorren, sobre tots els lligats a la interfase entre les dues fases, fa que els codis de baix o mig nivell de resolució, com poden ser els codis de sistema (RELAP,TRACE, etc.) o els basats en aproximacions 3D TFM (Two-Fluid Model) tinguen seriosos problemes per a oferir resultats acceptables , llevat que es tracte d'escenaris molt coneguts i se persegueixen resultats globals. En canvi, codis basats en alt nivell de resolució, com els que utilitzen VOF (Volume Of Fluid), requereixen d'un esforç computacional tan elevat que no poden ser aplicats a sistemes complexos. En aquesta tesi, mitjançant l'ús de la llibreria OpenFOAM s'ha creat un marc de simulació de codi obert per a analitzar els escenaris des de nivells de resolució de microescala a macroescala, analitzant les diferents aproximacions, així com la informació que és necessària aportar en cadascuna d'elles, per a l'estudi del règim de bubbly flow. En la primera part s'estudia la dinàmica de bambolles individuals a un alt nivell de resolució mitjançant l'ús del mètode VOF. Aquesta tècnica ha permès obtenir resultats precisos com la formació de la bambolla, velocitat terminal, camí recorregut, estela produida per la bambolla i inestabilitats que produeix en el seu camí. Però aquesta aproximació resulta inviable per a entorns reals amb la participació de més d'unes poques desenes de bambolles. Com a alternativa en aqueix cas es proposa l'ús de tècniques CFD-DEM (Discrete Element Methods) en la qual es representa a les bambolles com a partícules discretes. En aquesta tesi s'ha desenvolupat un nou solver per a bubbly flow en el qual s'han afegit un gran nombre de nous models, com els necessaris per a contemplar els xocs entre bambolles o amb les parets, la turbulència, la velocitat vista per les bambolles, la distribució de l'intercanvi de moment i masses amb el fluid en les diferents cel·les per cadascuna de les bambolles o els models d'expansió de la fase gasosa entre uns altres. Però també s'ha hagut d'incloure nous algoritmes com el necessari per a injectar de forma adequada la fase gasosa en el sistema. Aquest nou solver ofereix resultats amb un nivell de resolució superior als desenvolupat fins la data. Seguint amb la reducció del nivell de resolució, i per tant els recursos computacionals necessaris, s'efectua el desenvolupament d'un solver tridimensional de TFM en el qual s'ha implementat el mètode QMOM (Quadrature Method Of Moments) per a resoldre l'equació de balanç poblacional. El solver es desenvolupa amb els mateixos models de tancament que el CFD-DEM per a analitzar els efectes relacionats amb la pèrdua d'informació a causa del promitjat de les equacions instantànies de Navier-Stokes. L'anàlisi de resultats de CFD-DEM permet determinar les discrepàncies ocasionades per considerar els valors promitjats i el flux homogeni dels models clàssics de TFM. Finalment, com a aproximació de nivell de resolució més baix, s'analitza l'ús de codis de sistema, utilitzant el codi RELAP5/MOD3 per a analitzar el modelatge del fluxos en règim de bubbly flow. El codi és modificat per a reproduir correctament les característiques del flux bifàsic en canonades verticals, comparant el comportament d'aproximacions per al càlcul del terme de drag basades en velocitat de drift flux model i de les basades en coe / Peña Monferrer, C. (2017). Computational fluid dynamics multiscale modelling of bubbly flow. A critical study and new developments on volume of fluid, discrete element and two-fluid methods [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/90493

Les simulations numériques des équations d’Euler deux-fluides réalisé sur des maillages grossiers éliminent les structures fins d’écoulement gaz-solide dans les lits fluidisés. Pour précisément estimer l’hydrodynamique globale de lit, il faut proposer une modélisation qui prend en compte les effets de structure non-résolue. Dans ce but, les maillages sont raffinés pour obtenir le résultat de simulation pleinement résolue ce que les grandeurs statistiques ne modifient plus avec un autre raffinement pour le lit fluidisé périodique dilué gaz-particules sur une géométrie 3D cartésienne et ce résultat est utilisé pour tests "a priori". Les résultats de tests "a priori" montrent que l’équation filtrée de la quantité de mouvement est effectuée mais il faut prendre en compte le flux de la fraction volumique de solide de sous-maille en raison de l’interaction locale de la vitesse du gaz et la fraction volumique de solide pour la force traniée. Nous proposons les modèles fonctionnels et structurels pour le flux de la fraction volumique de solide de sous-maille. En plus, les modèles fermetures du tenseur de sous-maille de la phase dispersée sont similaires aux modèles classiquement utilisés en écoulement turbulent monophasique. Tous les modèles sont validés par test "a priori" et "a posteriori" / Eulerian two fluid approach is generally used to simulate gas-solid flows in industrial circulating fluidized beds. Because of limitation of computational resources, simulations of large vessels are usually performed by using too coarse grid. Coarse grid simulations can not resolve fine flow scales which can play an important role in the dynamic behaviour of the beds. In particular, cancelling out the particle segregation effect of small scales leads to an inadequate modelling of the mean interfacial momentum transfer between phases and particulate shear stresses by secondary effect. Then, an appropriate modelling ac counting for influences of unresolved structures has to be proposed for coarse-grid simu-lations. For this purpose, computational grids are refined to get mesh-independent result where statistical quantities do not change with further mesh refinement for a 3-D peri-odic circulating fluidized bed. The 3-D periodic circulating fluidized is a simple academic configuration where gas-solid flow conducted with A-type particles is periodically driven along the opposite direction of the gravity. The particulate momentum and agitation equations are filtered by the volume averaging and the importance of additional terms due to the averaging procedure are investigated by budget analyses using the mesh independent result. Results show that the filtered momentum equation of phases can be computed on coarse grid simulations but sub-grid drift velocity due to the sub-grid correlation between the local fluid veloc- ity and the local particle volume fraction and particulate sub-grid shear stresses must be taken into account. In this study, we propose functional and structural models for sub- grid drift velocity, written in terms of the difference between the gas velocity-solid volume fraction correlation and the multiplication of the filtered gas velocity with the filtered solid volume fraction. Particulate sub-grid shear stresses are closed by models proposed for single turbulent flows. Models’ predictabilities are investigated by a priori tests and they are validated by coarse-grid simulations of 3-D periodic circulating, dense fluidized beds and experimental data of industrial scale circulating fluidized bed in manner of a posteriori tests

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.

Lors que nous examinons numériquement des phénomènes multiphasiques suite à un accidentgrave dans le réacteur nucléaire, la dimension caractéristique des zones multi-fluides(non-réactifs et réactifs) s’avère beaucoup plus petite que celle du bâtiment réacteur, cequi fait la Simulation Numérique Directe de la configuration à peine réalisable. Autrement,nous proposons de considérer la zone de mélange multiphasique comme une interface infinimentfine. Puis, le solveur de Riemann réactif est inséré dans la Méthode des ÉquationsDiscrètes Réactives (RDEM) pour calculer le front de combustion à grande vitesse représentépar une interface discontinue. Une approche anti-diffusive est ensuite couplée avec laRDEM afin de précisément simuler des interfaces réactives. La robustesse et l’efficacité decette approche en calculant tant des interfaces multiphasiques que des écoulements réactifssont à la fois améliorées grâce à la méthode ici proposée : upwind downwind-controlled splitting(UDCS). UDCS est capable de résoudre précisément des interfaces avec les maillagesnon-structurés multidimensionnels, y compris des fronts réactifs de détonation et de déflagration. / When numerically investigating multiphase phenomena during severe accidents in a reactorsystem, characteristic lengths of the multi-fluid zone (non-reactive and reactive) are foundto be much smaller than the volume of the reactor containment, which makes the directmodeling of the configuration hardly achievable. Alternatively, we propose to consider thephysical multiphase mixture zone as an infinitely thin interface. Then, the reactive Riemannsolver is inserted into the Reactive Discrete Equations Method (RDEM) to compute highspeed combustion waves represented by discontinuous interfaces. An anti-diffusive approachis also coupled with RDEM to accurately simulate reactive interfaces. Increased robustnessand efficiency when computing both multiphase interfaces and reacting flows are achievedthanks to an original upwind downwind-controlled splitting method (UDCS). UDCS is capableof accurately solving interfaces on multi-dimensional unstructured meshes, includingreacting fronts for both deflagration and detonation configurations.

This dissertation focused on development and utilization of numerical and experimental approaches to improve the CFD modeling of fluidization flow of cohesive micron size particles. The specific objectives of this research were: (1) Developing a cluster prediction mechanism applicable to Two-Fluid Modeling (TFM) of gas-solid systems (2) Developing more accurate drag models for Two-Fluid Modeling (TFM) of gas-solid fluidization flow with the presence of cohesive interparticle forces (3) using the developed model to explore the improvement of accuracy of TFM in simulation of fluidization flow of cohesive powders (4) Understanding the causes and influential factor which led to improvements and quantification of improvements (5) Gathering data from a fast fluidization flow and use these data for benchmark validations. Simulation results with two developed cluster-aware drag models showed that cluster prediction could effectively influence the results in both the first and second cluster-aware models. It was proven that improvement of accuracy of TFM modeling using three versions of the first hybrid model was significant and the best improvements were obtained by using the smallest values of the switch parameter which led to capturing the smallest chances of cluster prediction. In the case of the second hybrid model, dependence of critical model parameter on only Reynolds number led to the fact that improvement of accuracy was significant only in dense section of the fluidized bed. This finding may suggest that a more sophisticated particle resolved DNS model, which can span wide range of solid volume fraction, can be used in the formulation of the cluster-aware drag model. The results of experiment suing high speed imaging indicated the presence of particle clusters in the fluidization flow of FCC inside the riser of FIU-CFB facility. In addition, pressure data was successfully captured along the fluidization column of the facility and used as benchmark validation data for the second hybrid model developed in the present dissertation. It was shown the second hybrid model could predict the pressure data in the dense section of the fluidization column with better accuracy.