[EN] The main objective of this work is the modeling of diesel sprays under engine conditions, including the atomization, transport and evaporation processes pivotal in the diesel spray formation and its development. For this purpose, an Eulerian single fluid model, embedded in a RANS environment, is implemented in the CFD platform OpenFOAM. The modeling approach implemented here is based on the ⅀-Y model. The model is founded on the assumption of flow scales separation. In actual injection systems, it can be assumed that the flow exiting the nozzle is operating at large Reynolds and Weber numbers and thus, it is possible to assume a separation of features such as mass transport (large scales) from the atomization process occurring at smaller scales. The liquid/gas mixture is treated as a pseudo-fluid with variable density and which flows with a single velocity field. Moreover, the mean geometry of the liquid structures can be characterized by modeling the mean surface area of the liquid-gas interphase per unit of volume. Additionally, an evaporation model has been developed around the particular characteristics of the current engine technologies. This means that vaporization process is limited by fuel-air mixing rate and fuel droplets evaporate as long as there is enough air for them to heat up and vaporize. Consequently, the evaporation model is based on the Locally Homogeneous Flow (LHF) approach. Under the assumption of an adiabatic mixing, in the liquid/vapor region, the spray is supposed to have a trend towards adiabatic saturation conditions and to determine this equilibrium between phases Raoult's ideal law is considered. Finally, the spray model is coupled with an advanced combustion model based on approximated diffusion flames (ADF), which reduces the computational effort especially for complex fuels and is a natural step for modeling diesel sprays. First, the model is applied to a basic external flow case under non-vaporizing conditions, extremely convenient due to both the experimental database available and the symmetric layout which allows important simplification of the modeling effort. Good agreement between computational results and experimental data is observed, which encourages its application to a more complex configuration. Secondly, the model is applied to the "Spray A" from the Engine Combustion Network (ECN), under non-vaporizing conditions, in order to reproduce the internal structure of diesel sprays as well as to produce accurate predictions of SMD droplets sizes. Finally, vaporizing "Spray A" studies are conducted together with the baseline reacting condition of this database. The calculated spray penetration, liquid length, spray velocities, ignition delay and lift-off length are compared with experimental data and analysed in detail. / [ES] El objetivo principal de este trabajo es el modelado de chorros diésel en condiciones de motor, incluyendo los fenómenos de atomización, transporte y evaporación fundamentales en la formación y desarrollo del chorro. Para este fin, se implementa un modelo de spray euleriano de tipo monofluido en un entorno RANS en la plataforma CFD OpenFOAM. El enfoque de modelado aplicado aquí sigue la idea de un modelo del tipo ⅀-Y. El modelo se fundamenta en la hipótesis de separación de escalas del flujo. En los sistemas de inyección actuales, es posible asumir que el flujo que sale de la tobera opera a altos números de Reynolds y Webber y por tanto, es posible considerar la independencia de fenómenos como el transporte de masa (grandes escalas del flujo) de los procesos de atomización que ocurren a escalas menores. La mezcla líquido/gas se trata como un pseudo-fluido con densidad variable y que fluye según un único campo de velocidad. Además, la geometría promedio de las estructuras de líquido se puede caracterizar mediante el modelado de la superficie de la interfase líquido/gas por unidad de volumen. Completando el modelo de chorro, se ha desarrollado un modelo de evaporación alrededor de las características particulares de las tecnologías actuales de los motores. Esto supone que el proceso de evaporación está controlado por mezcla aire-combustible y las gotas de combustible se evaporan siempre que exista suficiente aire para calentarlas y evaporarlas. Debido a esto, el modelo de evaporación implementado está basado en el enfoque de Flujos Localmente Homogéneos (LHF). Considerando una mezcla adiabática, en la región líquido/vapor, se supone que el chorro tiende a las condiciones adiabáticas de saturación y para determinar este equilibrio entre fases, se utiliza la ley ideal de Raoult. Finalmente, el modelo de chorro se acopla con un modelo avanzado de combustión basado en llamas de difusión aproximadas (ADF), que reduce el coste computacional especialmente para combustibles complejos y supone el paso lógico en el desarrollo del modelo para simular chorros diesel. En primer lugar, el modelo se aplica al cálculo de un caso básico de flujo externo no evaporativo, muy adecuado tanto por la extensa base de datos experimentales disponible como por la simetría geométrica que presenta, permitiendo una importante simplificación de la simulación. Los resultados obtenidos presentan un buen acuerdo con los experimentos, lo cual estimula su aplicación en configuraciones más complejas. En segundo lugar, el modelo se aplica al cálculo del "Spray A" del Engine Combustion Network (ECN), no evaporativo, para reproducir la estructura interna del chorro diesel así como predecir tamaños de gota (SMD) de forma precisa. Finalmente, se realizan estudios evaporativos del "Spray A" junto con la condición nominal reactiva de esta base de datos. La penetración de vapor, la longitud líquida, velocidad, el tiempo de retraso y la longitud de despegue de llama calculados se comparan con los datos experimentales y se analizan en detalle. / [CAT] L'objectiu principal d'aquest treball és el modelatge de dolls dièsel en condicions de motor, incloent els fenòmens d'atomització, transport i evaporació fonamentals en la formació i desenvolupament del doll. Amb aquesta finalitat, s'implementa un model de doll eulerià de tipus monofluid en un entorn RANS a la plataforma CFD OpenFOAM. L'enfocament de modelatge aplicat ací segueix la idea d'un model del tipus ⅀-Y. El model es fonamenta en la hipòtesi de separació d'escales del flux. En els sistemes d'injecció actuals, és possible assumir que el flux que surt de la tovera opera a alts nombres de Reynolds i Webber, i per tant és possible considerar la independència de fenòmens com el transport de massa (grans escales del flux) dels processos d'atomització que ocorren a escales menors. La mescla líquid / gas es tracta com un pseudo-fluid amb densitat variable i que flueix segons un únic camp de velocitat. A més, la geometria mitjana de les estructures de líquid es pot caracteritzar mitjançant el modelatge de la superfície de la interfase líquid / gas per unitat de volum. Completant el model, s'ha desenvolupat un model d'evaporació al voltant de les característiques particulars de les tecnologies actuals dels motors. Això suposa que el procés d'evaporació està controlat per la mescla aire-combustible i les gotes de combustible s'evaporen sempre que hi hagi suficient aire per escalfar i evaporar. A causa d'això, el model d'evaporació implementat està basat en el plantejament de fluxos Localment Homogenis (LHF). Considerant una mescla adiabàtica, a la regió líquid / vapor, se suposa que el doll tendeix a les condicions adiabàtiques de saturació i per determinar aquest equilibri entre fases, s'utilitza la llei ideal de Raoult. Finalment, el model de doll s'acobla amb un model avançat de combustió basat en flamelets de difusió aproximades (ADF), que redueix el cost computacional especialment per a combustibles complexos i suposa el pas lògic en el desenvolupament del model per simular dolls dièsel. En primer lloc, el model s'aplica al càlcul d'un cas bàsic de flux extern no evaporatiu, molt adequat tant per l'extensa base de dades experimentals disponible com per la simetria geomètrica que presenta, permetent una important simplificació de la simulació. Els resultats obtinguts presenten un bon acord amb els experiments, la qual cosa estimula la seva aplicació en configuracions més complexes. En segon lloc, el model s'aplica al càlcul del "Spray A" no evaporatiu de la xarxa Engine Combustion Network (ECN), per reproduir l'estructura interna del doll dièsel així com predir mides de gota (SMD) de forma precisa. Finalment, es realitzen estudis evaporatius del "Spray A" juntament amb la condició nominal reactiva d'aquesta base de dades. La penetració de vapor, la longitud líquida, velocitat, el temps de retard i la longitud d'enlairament de flama calculats es comparen amb les dades experimentals i s'analitzen en detall. / Pandal Blanco, A. (2016). Implementation and Development of an Eulerian Spray Model for CFD simulations of diesel Sprays [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/68490 / TESIS

Fluidized bed reactor technology has been widely adopted within the industry as vital component for numerous manufacturing, power generation and gasification processes due to its enhanced mixing characteristics. Computational modeling of fluidized bed hydrodynamics is a significant challenge that has to be tackled for increasing predictive accuracy. The distributor plate of a fluidized bed is typically modeled using a uniform inlet condition, when in reality the inlet is non-uniform inlet. The regions of bed mass that do not fluidize because of the non-uniform inlet conditions form deadzones and remain static between the jets. A new model based on the mass that contributes to the pressure drop is proposed to model a fluidized bed, and has been investigated for a cylindrical reactor for glass beads, ceramic single solids particles, and glass-ceramic, and ceramic-ceramic binary mixtures. The adjusted mass model was shown to accurately predict fluidization characteristics such as pressure drop and minimum fluidization velocity. The effectiveness of the adjusted mass model was further illustrated by applying it to fluidized beds containing coal, switchgrass, poplar wood, and cornstover biomass particles and coal-biomass binary mixtures. The adjusted mass model was further analyzed for bed expansion heights of different mixtures, and for solids distribution by analyzing the solids volume fraction. The effect of increasing the percent biomass in the mixture was also investigated. To further model the non-uniform inlet condition, two different distributor configurations with 5 and 9 jets was considered for a quasi-2D bed, and simulations were performed in both 2D and 3D. Fluidization characteristics and mixing of the bed were analyzed for the simulation. Furthermore, the deadzones formed due to multiple jet configurations of the distributor are quantified and their distributions over the plate were analyzed. / Ph. D.

Cette thèse s'inscrit dans un projet de modélisation numérique de la dispersion atmosphérique de polluants à travers le code de mécanique des fluides numérique Code_Saturne. L'objectif est de pouvoir simuler la dispersion atmosphérique de polluants en environnement complexe, c'est-à-dire autour de centrales, sites industriels ou en milieu urbain. Dans ce contexte, nous nous concentrons sur la modélisation de la dispersion des polluants à micro-échelle, c'est-à-dire pour des distances de l'ordre de quelques mètres à quelques kilomètres et correspondant à des échelles de temps de l'ordre de quelques dizaines de secondes à quelques dizaines de minutes : on parle de modélisation en champ proche. L’approche suivie dans ces travaux de recherche suit une formulation hybride eulérienne/lagrangienne, où les champs dynamiques moyens relatifs au fluide porteur (pression, vitesse, température, turbulence) sont calculés via une approche eulérienne et sont ensuite fournis au solveur lagrangien. Ce type de formulation est couramment utilisé dans la littérature atmosphérique pour son efficacité numérique. Le modèle lagrangien stochastique considéré dans nos travaux est le Simplified Langevin Model (SLM), développé par Pope (1985,2000). Ce modèle appartient aux méthodes communément appelées méthodes PDF (Probability Density Function), et, à notre connaissance, n'a pas été exploité auparavant dans le contexte de la dispersion atmosphérique. Premièrement, nous montrons que le SLM respecte le critère dit de mélange homogène (Thomson, 1987). Ce critère, essentiel pour juger de la bonne qualité d'un modèle lagrangien stochastique, correspond au fait que si des particules sont initialement uniformément réparties dans un fluide incompressible, alors elles doivent le rester. Nous vérifions le bon respect du critère de mélange homogène pour trois cas de turbulence inhomogène représentatifs d'une large gamme d'applications pratiques : une couche de mélange, un canal plan infini, ainsi qu'un cas de type atmosphérique mettant en jeu un obstacle au sein d'une couche limite neutre. Nous montrons que le bon respect du critère de mélange homogène réside simplement en la bonne introduction du terme de gradient de pression en tant que terme de dérive moyen dans le modèle de Langevin (Pope, 1987; Minier et al., 2014; Bahlali et al., 2018c). Nous discutons parallèlement de l'importance de la consistance entre champs eulériens et lagrangiens dans le cadre de telles formulations hybrides eulériennes/lagrangiennes. Ensuite, nous validons le modèle dans le cas d'un rejet de polluant ponctuel et continu, en conditions de vent uniforme et turbulence homogène. Dans ces conditions, nous disposons en effet d'une solution analytique nous permettant une vérification précise. Nous observons que dans ce cas, le modèle lagrangien discrimine bien les deux différents régimes de diffusion de champ proche et champ lointain, ce qui n'est pas le cas d'un modèle eulérien à viscosité turbulente (Bahlali et al., 2018b).Enfin, nous travaillons sur la validation du modèle sur plusieurs campagnes expérimentales en atmosphère réelle, en tenant compte de la stratification thermique de l'atmosphère et de la présence de bâtiments. Le premier programme expérimental considéré dans nos travaux concerne le site du SIRTA (Site Instrumental de Recherche par Télédétection Atmosphérique), dans la banlieue sud de Paris, et met en jeu une stratification stable de la couche limite atmosphérique. La seconde campagne étudiée est l'expérience MUST (Mock Urban Setting Test). Réalisée aux Etats-Unis, dans le désert de l'Utah, cette expérience a pour but de représenter une ville idéalisée, au travers d'un ensemble de lignées de conteneurs. Deux rejets ont été simulés et analysés, respectivement en conditions d'atmosphère neutre et stable (Bahlali et al., 2018a) / This Ph.D. thesis is part of a project that aims at modeling pollutant atmospheric dispersion with the Computational Fluid Dynamics code Code_Saturne. The objective is to simulate atmospheric dispersion of pollutants in a complex environment, that is to say around power plants, industrial sites or in urban areas. In this context, the focus is on modeling the dispersion at micro-scale, that is for distances of the order of a few meters to a few kilometers and corresponding to time scales of the order of a few tens of seconds to a few tens of minutes: this is also called the near field area. The approach followed in this thesis follows a hybrid Eulerian/Lagrangian formulation, where the mean dynamical fields relative to the carrier fluid (pressure, velocity, temperature, turbulence) are calculated through an Eulerian approach and are then provided to the Lagrangian solver. This type of formulation is commonly used in the atmospheric literature for its numerical efficiency. The Lagrangian stochastic model considered in our work is the Simplified Langevin Model (SLM), developed by Pope (1985,2000). This model belongs to the methods commonly referred to as PDF (Probability Density Function) methods, and, to our knowledge, has not been used before in the context of atmospheric dispersion. First, we show that the SLM meets the so-called well-mixed criterion (Thomson, 1987). This criterion, essential for any Lagrangian stochastic model to be regarded as acceptable, corresponds to the fact that if particles are initially uniformly distributed in an incompressible fluid, then they must remain so. We check the good respect of the well-mixed criterion for three cases of inhomogeneous turbulence representative of a wide range of practical applications: a mixing layer, an infinite plane channel, and an atmospheric-like case involving an obstacle within a neutral boundary layer. We show that the good respect of the well-mixed criterion lies simply in the good introduction of the pressure gradient term as the mean drift term in the Langevin model (Pope, 1987; Minier et al., 2014; Bahlali et al., 2018c). Also, we discuss the importance of consistency between Eulerian and Lagrangian fields in the framework of such Eulerian/Lagrangian hybrid formulations. Then, we validate the model in the case of continuous point source pollutant dispersion, under uniform wind and homogeneous turbulence. In these conditions, there is an analytical solution allowing a precise verification. We observe that in this case, the Lagrangian model discriminates well the two different near- and far-field diffusion regimes, which is not the case for an Eulerian model based on the eddy-viscosity hypothesis (Bahlali et al., 2018b).Finally, we work on the validation of the model on several experimental campaigns in real atmosphere, taking into account atmospheric thermal stratification and the presence of buildings. The first experimental program considered in our work has been conducted on the `SIRTA' site (Site Instrumental de Recherche par Télédétection Atmosphérique), in the southern suburb of Paris, and involves a stably stratified surface layer. The second campaign studied is the MUST (Mock Urban Setting Test) experiment. Conducted in the United States, in Utah's desert, this experiment aims at representing an idealized city, through several ranges of containers. Two cases are simulated and analyzed, respectively corresponding to neutral and stable atmospheric stratifications (Bahlali et al., 2018a)