Multiphase flows are a common phenomenon. Rains, sediment transport in rivers, snow and dust storms, mud slides and avalanches are examples of multiphase flows occurring in nature. Blood flow is an example of multiphase flow in the human body, which is of vital importance for survival. Multiphase flows occur widely in industrial applications from hydrocarbon extrac-tion to fuel combustion in engines, from spray painting to spray drying, evaporators, pumps and pneumatic conveying. Predicting multiphase flows is of vital importance to understand natural phenomenon and to design and improve industrial processes. Separated flows and dispersed flows are two types of multiphase flows, which occur together in many industrial applications. Physical features of these two classes are different and the transition from one to another involves complex flow physics. Experimental studies of multiphase flows are not easy, as most real world phenomenon cannot be scaled down to laboratory models. Even for those phenomenon that can be demonstrated at lab-oratory scale, rescaling to real world applications requires mathematical models. There are many challenges in experimental measurements of multiphase flows as well. Measurement techniques well suited for single phase flows have constraints when measuring multiphase phenomenon. Un-certainty in experimental measurements poses considerable difficulties in validating numerical models developed for predicting these flows. Owing to the computational effort required, direct simulation of multiphase flows, even for small scale real world applications is out of present scope. Numerical methods have been developed for dealing with each class of flow separately, that in-volves use of models for phenomenon that is computationally demanding. Reynolds Averaged Navier-Stokes (RANS) methods for predicting multiphase flows place strong requirements on turbulence models, as information about fluctuating quantities in the field, that have significant effects on dispersed phase, is not available. Large Eddy Simulation (LES) gives better predictions than RANS as the instantaneous field data is available and large scale unsteadiness that effects the dispersed phase can be captured. Recent LES studies of multiphase flows showed that the sub-grid-scale (SGS) model used for the continuous phase has an effect on the evolution of the dispersed phase. In this work, LES of multiphase flows is performed using Explicit Filtering Large Eddy Sim-ulation method. In this method, spatial derivatives are computed using higher order compact schemes that have spectral-like resolution. SGS modeling is provided by the use of a filter with smoothly falling transfer function. This method is mathematically consistent and converges to a DNS as the grid is refined. It has been successfully applied to combustion and aero-acoustics and this work is the first application of the method to multiphase flows. Study of dispersed multiphase flows was carried out in this work. Modeling of the dispersed phase is kept simple since the in-tention was to evaluate the capability of explicit filtering LES method in predicting multiphase flows. Continuous phase is solved using a compressible formulation with explicit filtering method. Spatial derivatives are computed using fourth and sixth order compact schemes that use derivative splitting method proposed by Hixon & Turkel (2000a) and second order Runge-Kutta (RK2) time stepping. The grid is stretched as needed. Non-reflecting boundary conditions due to Poinsot & Lele (1992) are used to avoid acoustic reflections from boundaries. Buffer zones (Bogey & Bailly (2002)) are employed at outflow and lateral boundaries to damp vortical structures. The code developed for continuous phase is evaluated by studying round jets at Re =36,000 and comparing with experimental measurements of Hussein et al. (1994) and Panchapakesan & Lumley (1993). Simulations showed excellent agreement with experimental results. Rate of decay of axial velocity and the evolution of turbulence intensities on the centerline matched very well with measurements. Radial profiles of mean and fluctuating components of velocities exhibit self-similarity. A set of studies were then performed using this code to assess the effect of numerical scheme, grid refinement & stretching and simulation times on the predictions. Results from these simulations showed good agreements with experiments and established the code for use in multiphase flows under various simulation conditions. To assess the prediction of multiphase flows using this LES method, an evaporating spray ex-periment by Chen et al. (2006) was simulated. The experiment uses a nebuliser for generating a finely atomized spray of acetone, which avoids complex breakdown phenomenon associated with air blast atomizers and provides well defined boundary conditions for model evaluation. The neb-uliser sits upstream in a pipe carrying air and droplets travel along with air for a distance of 10 diameters before exiting into a wind tunnel with co-flowing air. Droplet breakdown, if any, takes place inside the pipe and the spray is finely atomized by the time it reaches pipe exit. One of the experimental cases at Re =31,600, with a mass loading of 1.1% and a jet velocity of 56 m/s is simulated. Particle size has a χsquared distribution with a Sauter mean diameter of 18µm. In the self-similar region, decay of centerline velocity and turbulence intensities matched well with ex-perimental results. Continuous phase exhibits self-similar behavior. A series of simulations were then performed to match the initial region of the spray by altering the inflow conditions in the sim-ulation. Simulation that matched the breakdown location of the experiment revealed the presence of a relaxation zone with a higher initial spreading rate, followed by a lower asymptotic spreading rate. Studies were performed to understand the effect of various phenomenon like evaporation and droplet size on this behavior. A study of breakdown region of particle-laden jets was performed to understand the presence of relaxation zone post breakdown. Flow conditions were similar to evaporating spray experiment except that particles do not evaporate, mass loading is 2% and jet Reynolds number Re =2000. A series of grid refinements were performed and on the largest grid, gird spacing Δy =7.5η, where ηis an estimate of the Kolmogorov length scale based on flow conditions. Decay of axial velocity on the centerline showed variations with grid refinement, tending to the experimentally measured value as the grid is refined. Variation of turbulence intensities along the centerline revealed a jump in axial velocity fluctuations at the breakdown location, while radial and azimuthal velocities showed a smooth increase to their asymptotic value. This jump was resolved on grid refinement and on fine grids axial velocity fluctuations followed the other two quantities closely in their rise to asymptotic state. Comparison of these quantities with a jet without particles revealed that the flow features are same for a jet with and without particles, and at the mass loading studied, particles have negligible effect on jet breakdown. Another study performed at a higher Reynolds number of Re =11,000, under similar flow conditions showed similar behavior. To assess the ability of predicting dispersed phase, simulations of particle-laden flows at low Stokes number were performed and compared against an experiment by Lau & Nathan (2014). The experiment studies variation of velocity and particle concentration along the centerline, and half widths of a jet velocity and concentration. Particles are injected into a pipe along with air, and the two phase flow is fully developed by the time it exits the pipe into a wind tunnel along with a co-flow. Particles are mono-disperse with a density of 1200 kg/m3. Mass loading is 40% so that particles have a significant effect on the continuous phase. Two cases at particle Stokes number of 1.4, one with Re =10,000, bulk velocity of 12 m/s and particle diameter of 20µm and another with Re =22,500, bulk velocity of 36 m/s and particle diameter of 10µm were simulated. Simulations of both the cases showed good match with experimental measurements of centerline decay for the continuous phase. For the dispersed case, simulations with larger particles showed good match with experimental results, while smaller particles showed differences. This was understood to be the effect of lateral migration which is prominent in case of smaller particles, the models for which have not been used in the present simulation study.

Turbulence is an open and challenging problem for mathematical approaches, physical modeling and numerical simulations. Numerical solutions contribute significantly to the understand of the nature and effects of turbulence. The focus of this thesis is the development of appropriate numerical methods for the computer simulation of turbulent flows. Many of the existing approaches to turbulence utilize analogies from kinetic theory. Degond & Lemou (J. Math. Fluid Mech., 4, 257-284, 2002) derived a k-✏ type turbulence model completely from kinetic theoretic framework. In the first part of this thesis, a numerical method is developed for the computer simulation based on this model. The Boltzmann equation used in the model has an isotropic, relaxation collision operator. The relaxation time in the collision operator depends on the microscopic turbulent energy, making it difficult to construct an efficient numerical scheme. In order to achieve the desired numerical efficiency, an appropriate change of frame is applied. This introduces a stiff relaxation source term in the equations and the concept of asymptotic preserving schemes is then applied to tackle the stiffness. Some simple numerical tests are introduced to validate the new scheme. In the second part of this thesis, alternative approaches are sought for more efficient numerical techniques. The Lattice Boltzmann Relaxation Scheme (LBRS) is a novel method developed recently by Rohan Deshmukh and S.V. Raghuram Rao for simulating compressible flows. Two different approaches for the construction of implicit sub grid scale -like models as Implicit Large Eddy Simulation (ILES) methods, based on LBRS, are proposed and are tested for Burgers turbulence, or Burgulence. The test cases are solved over a largely varying Reynolds number, demonstrating the efficiency of this new ILES-LBRS approach. In the third part of the thesis, as an approach towards the extension of ILES-LBRS to incompressible flows, an artificial compressibility model of LBRS is proposed. The modified framework, LBRS-ACM is then tested for standard viscous incompressible flow test cases.

Ce mémoire de thèse traite de l’analyse, l’intensification et l’optimisation du transfert thermique convectif dans les échangeurs à plaques et ailettes à pas décalés utilisés notamment dans le domaine automobile comme refroidisseurs d’air de suralimentation. Deux approches complémentaires sont abordées dans cette étude : des simulations numériques visant à l’analyse fine locale des caractéristiques de l’écoulement et des mécanismes de transfert, et une modélisation de type nodale permettant une caractérisation globale des performances thermo-aérauliques. Sur la gamme de Reynolds considérée différentes modélisations de la turbulence sont mises en œuvre et comparées. Ainsi des simulations aux grandes échelles (LES) permettent de qualifier des simulations de type RANS classiquement utilisées jusque-là : de fortes différences tant au niveau structuration de l’écoulement qu’au niveau performances globales sont ainsi mises en évidence selon le régime d’écoulement considéré. La mise au point d’un modèle nodal est ensuite abordée dans le but de mener des optimisations de géométries d’échangeurs non-conventionnels à pas décalés. Les différents scénarii d’optimisation considérés montrent l’intérêt de cette approche autorisant l’évaluation d’un nombre élevé de configurations géométriques. Dans une dernière partie une nouvelle géométrie innovante permettant de générer des tourbillons longitudinaux sur ce type d’ailettes est proposée et étudiée. / This thesis deals with the analysis, intensification and optimization of convective heat transfer in offset strip fins (OSF) heat exchangers used, for example, in the automotive field as water-cooled charge air coolers. Two complementary approaches are carried out in this study: CFD simulations to perform local fine analysis of the flow characteristics and transfer mechanisms, and a nodal type modeling allowing calculation of global aerothermal performance. Over the range of Reynolds numbers considered, different turbulence modeling approaches are implemented and compared: Large Eddy Simulations (LES) and RANS simulations which are usually used. The qualification of the RANS models shows that strong differences, both in the flow structure and at the overall performance evaluation level, may beobserved, depending on the flow regime considered. Then the development of a nodal model is presented. It aims at carrying out rapid optimization of geometries of unconventional OSF heat exchangers. The various optimization scenarios considered show the interest of this approach allowing the evaluation of a large number of geometric configurations. In a last part, an innovative new geometry that generates longitudinal vortices on this type of fins is proposed and studied.

L’industrie automobile fournie de plus en plus d’effort pour optimiser l’aérodynamique externe des véhicules afin de réduire son empreinte écologique. Dans ce cadre, l’objectif de ce projet est d’examiner les structures tourbillonnaires responsables de la dégradation de traînée et de proposer une solution de contrôle actif permettant d’améliorer l’efficacité aérodynamique d’un véhicule SUV. Après une étude expérimentale de la maquette POSUV échelle réduite, une analyse modale croisée permet d’identifier les structures périodiques corrélées de l’écoulement qui pilotent la dépression sur le hayon. Une solution de contrôle optimale par jets pulsés sur le parechoc arrière, est obtenue avec un algorithme génétique. Celle-ci permet de réduire la dépression du hayon de 20% et l’analyse croisée des résultats instationnaires avec contrôle montre un changement significatif de la distribution spectrale. Après deux études préliminaires sur la rampe inclinée à 25° et sur le Corps d’Ahmed à 47°, la simulation de POSUV à partir d’un solveur LES, en éléments finis, est validé par rapport aux résultats expérimentaux. L’approfondissement des résultats 3D permet de comprendre les pertes aérodynamiques. La simulation de l’écoulement contrôlé permet également d’identifier les mécanismes du contrôle d’écoulements. / The automotive industry dedicates a lot of effort to improve the aerodynamical performances of road vehicles in order to reduce its carbon footprint. In this context, the target of the present work is to analyze the origin of aerodynamic losses on a reduced scale generic Sport Utility Vehicle and to achieve a drag reduction using an active flow control strategy. After an experimental characterization of the flow past the POSUV, a cross-modal DMD analysis is used to identify the correlated periodical features responsible for the tailgate pressure loss. Thanks to a genetic algorithm procedure, 20% gain on the tailgate pressure is obtained with optimal pulsed blowing jets on the rear bumper. The same cross-modal methodology allows to improve our understanding of the actuation mechanism. After a preliminary study of the 25° inclined ramp and of the Ahmed Body computations, the numerical simulation of the POSUV is corroborated with experiments using the cross-modal method. Deeper investigations on the three-dimensional flow characteristics explain more accurately the wake flow behavior. Finally, the controlled flow simulations propose additional insights on the actuation mechanisms allowing to reduce the aerodynamic losses.

Development of modern safety standards for hydrogen storage infrastructure requires fundamental insight into the physics of buoyant gas dispersion into ambient air. Also, from a practical engineering stand-point, flow patterns and dispersion of gas originating from orifices in the side wall of circular pipe or storage tank need to be studied. In this thesis, novel configurations were considered to investigate the evolution of turbulent jets issuing from realistic pipeline geometries. First, the effect of jet densities and Reynolds numbers on vertical jets were investigated, as they emerged from the side wall of a circular pipe, through a round orifice. The resulting jet flow was thus issued through a curved surface from a source whose original velocity components were nearly perpendicular to the direction of the ensuing jets. Particle image velocimetry (PIV) and planar laser-induced fluorescence (PLIF) techniques were employed simultaneously to provide instantaneous and time-averaged flow fields of velocity and concentration. The realistic flow arrangement resulted in an asymmetric flow pattern and a significant deflection from the vertical axis of jets. The deflection was influenced by buoyancy, where heavier gases deflected more than lighter gases. These realistic jets experienced faster velocity decay, and asymmetric jet spreading compared to round jets due to significant turbulent mixing in their near field. In addition to that, horizontal multi-component jets issuing from a round orifice on the side wall of a circular tube were also investigated experimentally by the means of simultaneous velocity and concentration measurements. A range of Reynolds numbers and gas densities were considered to study the effects of buoyancy and asymmetry on the resulting flow structure. The realistic pipeline jets were always exhibited an asymmetry structure and found to deflect about the jet's streamwise axis in the near field. In the far field, the buoyancy dominated much closer to the orifice than expected in the axisymmetric round jet due to the realistic leak geometry along with the pipeline orientation considered in this study. In general, significant differences were found between the centreline trajectory, spreading rate, and velocity decay of conventional horizontal round axisymmetric jets issuing through flat plates and the pipeline leak-representative jets considered in the present study. Finally, the dispersion of turbulent multi-component jets issuing from high-aspect-ratio slots on the side wall of a circular tube were studies experimentally by employing simultaneous PIV and PLIF techniques. Two transversal & longitudinal oblong geometries in respect to the longitudinal axes of the tube , and with an aspect ratio of 10 were considered in this study. Both horizontal and vertical orientations along with broad range of Reynolds numbers and gas densities were considered to investigate the effects of buoyancy and asymmetry on the resulting flow structure. The ensuing jets were found to deflect along the jet streamwise axis, once more, due to the realistic pipeline leak-representative configuration. It was also found that increases in aspect ratio of these realistic jets caused a reduction in the angle of deflection, jet centreline decay rates and the width growth on both velocity and scalar fields compared to their round jets counterparts, most notably in the far field. These findings indicate that conventional jets (those that are issuing through flat surfaces) assumptions are inadequate to predict gas concentration, entrainment rates and, consequently, the extent of the flammability envelope of realistic gas leaks. Thus, extreme caution is required when using conventional jet assumptions to describe the physics of a buoyant jet emitted from realistic geometries. / Graduate

La thèse porte sur la simulation de la thermohydraulique et des transferts thermiques dans un faisceau d'aiguilles d'assemblage combustible de réacteur à neutrons rapides à caloporteur sodium.Des premiers calculs ont été réalisés par une approche moyennée de type RANS à l'aide du code industriel STAR-CCM+. De cette modélisation, il ressort une meilleure compréhension des transferts de chaleur opérés entre les aiguilles et le sodium. Les principales grandeurs macroscopiques de l'écoulement sont en accord avec les corrélations. Cependant, afin d'obtenir une description détaillée des fluctuations de température au niveau des fils espaceur, une approche plus détaillée de type LES et DNS est apparue indispensable. Pour la partie LES, le code TRIO_U a été utilisé. Concernant la partie DNS, un code de recherche a été utilisé. Ces approches requièrent des temps de calculs considérables qui ont nécessité des géométries représentatives mais simplifiées.L'approche DNS permet d'étudier l'écoulement à bas nombre de Prandtl, qui induit un comportement très différent du champ thermique relativement au champ hydraulique. Le calcul LES de l'assemblage montre que la présence du fil espaceur génère l'apparition de points chauds locaux (~20°C) en aval de celui-ci par rapport à l'écoulement sodium, au niveau de son contact avec l'aiguille. Les fluctuations de température au niveau des fils espaceur sont faibles (~1°C-2°C). En régime nominal, l'analyse spectrale montre l'absence de grande amplitude d'oscillations de température à basse fréquence (2-10 Hz); les conséquences sur la tenue mécanique des structures devront être analysées. / The thesis focuses on the numerical simulation of sodium flow in wire wrapped sub-assembly of Sodium-cooled Fast Reactor (SFR).First calculations were carried out by a time averaging approach called RANS (Reynolds- Averaged Navier-Stokes equations) using industrial code STAR-CCM+. This study gives a clear understanding of heat transfer between the fuel pin and sodium. The main variables of the macroscopic flow are in agreement with correlations used hitherto. However, to obtain a detailed description of temperature fluctuations around the spacer wire, more accurate approaches like LES (Large Eddy Simulation) and DNS (Direct Numerical Simulation) are clearly needed. For LES approach, the code TRIO_U was used and for the DNS approach, a research code was used. These approaches require a considerable long calculation time which leads to the need of representative but simplified geometry.The DNS approach enables us to study the thermal hydraulics of sodium that has very low Prandtl number inducing a very different behavior of thermal field in comparison to the hydraulic field. The LES approach is used to study the local region of sub-assembly. This study shows that spacer wire generates the local hot spots (~20°C) on the wake side of spacer wire with respect to the sodium flow at the region of contact with the fuel pin. Temperature fluctuations around the spacer wire are low (~1-2°C). Under nominal operation, the spectral analysis shows the absence of any dominant peak for temperature oscillations at low frequency (2-10Hz). The obtained spectra of temperature oscillations can be used as an input for further mechanical studies to determine its impact on the solid structures.

Syngas consisting mainly of a mixture of carbon monoxide, hydrogen and other diluents, is an important fuel for power generation applications since it can be obtained from both biomass and coal gasification. Clean coal technologies require stable and efficient operation of syngas-fired gas turbines. The trapped vortex combustor (TVC) is a relatively new gas turbine combustor concept which shows tremendous potential in achieving stable combustion under wide operating conditions with low emissions. In the present work, combustion of low calorific value syngas in a TVC has been studied using in-situ laser diagnostic techniques and numerical modeling. Specifically, this work reports in-situ measurements of mixture fraction, OH radical concentration and velocity in a single cavity TVC, using state-of-the art laser diagnostic techniques such as Planar Laser-induced Fluorescence (PLIF) and Particle Image Velocimetry (PIV). Numerical simulations using the unsteady Reynolds-averaged Navier-Stokes (URANS) and Large Eddy Simulation (LES) approaches have also been carried out to complement the experimental measurements. The fuel-air momentum flux ratio (MFR), where the air momentum corresponds to that entering the cavity through a specially-incorporated flow guide vane, is used to characterize the mixing. Acetone PLIF experiments show that at high MFRs, the fuel-air mixing in the cavity is very minimal and is enhanced as the MFR reduces, due to a favourable vortex formation in the cavity, which is corroborated by PIV measurements. Reacting flow PIV measurements which differ substantially from the non-reacting cases primarily because of the gas expansion due to heat release show that the vortex is displaced from the centre of the cavity towards the guide vane. The MFR was hence identified as the controlling parameter for mixing in the cavity. Quantitative OH concentration contours showed that at higher MFRs 4.5, the fuel jet and the air jet stream are separated and a flame front is formed at the interface. As the MFR is lowered to 0.3, the fuel air mixing increases and a flame front is formed at the bottom and downstream edge of the cavity where a stratified charge is present. A flame stabilization mechanism has been proposed which accounts for the wide MFRs and premixing in the mainstream as well. LES simulations using a flamelet-based combustion model were conducted to predict mean OH radical concentration and velocity along with URANS simulations using a modified Eddy dissipation concept model. The LES predictions were observed to agree closely with experimental data, and were clearly superior to the URANS predictions as expected. Performance characteristics in the form of exhaust temperature pattern factor and pollutant emissions were also measured. The NOx emissions were found to be less than 2 ppm, CO emissions below 0.2% and HC emissions below 700 ppm across various conditions. Overall, the in-situ experimental data coupled with insight from simulations and the exhaust measurements have confirmed the advantages of using the TVC as a gas turbine combustor and provided guidelines for stable and efficient operation of the combustor with syngas fuel.

[ES] La creciente preocupación sobre el efecto de la emisión de gases nocivos provenientes de motores de combustión interna alternativos (ICE) a la atmósfera ha llevado a los gobiernos a lo ancho del planeta a limitar la cantidad de dichas emisiones, particularmente en Europa a través de las normas EURO. La dificultad en cumplir dichas limitaciones ha llevado a la industria automovilística a cambiar el foco de motores de encendido por compresión (CI) o provocado (SI) hacia la electrificación o los combustibles libres de carbono. Sin embargo, esta transición no se puede llevar a cabo de manera sencilla en el corto y medio plazo, mientras que combustibles libres de carbono como el Hidrógeno (H2 ) o el Amoniaco (NH3 ) siguen produciendo algunos contaminantes como los Óxidos de Nitrógeno (NOx ), con los cuales hay que lidiar. Estas emisiones pueden ser particularmente dañinas para el ser humano ya que incrementan el riesgo de cáncer de pulmón. La Reducción Catalítica Selectiva (SCR) ha demostrado ser una tecnología eficaz para la reducción de este contaminante en particular. A través de una inyección de una Solución de Urea-Agua, junto con la energía térmica de los gases de escape, se genera una cantidad suficiente de NH 3 capaz de neutralizar los indeseados NOx en un catalizador de reducción. Con la inclusión de los SCR en automóviles ligeros además de su presencia tradicional en automóviles pesados, los SCR han sido el foco de la comunidad científica para mejorar el entendimiento de su principio de actuación, y mejorar su eficiencia en un entorno legislativo en el que los limites de emisión se han estrechado enormemente. Esta Tesis intenta ser parte de ese esfuerzo científico en caracterizar el proceso de inyección de UWS en su totalidad a través de un entorno computacional. El presente estudio tiene como objetivo proveer de un mejor entendimiento del proceso de atomización y degradación sufrido por los chorros de UWS. Las dinámicas no estacionarias que se dan lugar en la zonas cercana del chorro, añadido a la gran influencia de las características internas del inyector sobre el desarrollo del spray hacen que los métodos experimentales sean complicados para poder entender dicho proceso. Por otro lado, la Mecánica de Fluidos Computacional (CFD) presenta una alternativa. Para el propósito de esta Tesis, el CFD ha sido utilizado para caracterizar los sprays de SCR. Se intenta desarrollar y seleccionar los modelos más apropiados a chorros de baja velocidad, y establecer un conocimiento Una vez adquiridos dichos métodos, los mecanismos principales de rotura del chorro y de degradación de la urea se han analizan. En ese sentido, el uso de técnicas experimentales podrían ser sustituídos en el futuro para esta aplicación. Los métodos CFD son validados tanto en el campo cercano como en el lejano. Para el campo cercano, el tratamiento multi-fase se lleva a cabo a través de métodos de Modelo de Mezclas, o el método Volume-Of-Fluid. A través de ellos, la caracterización hidráulica de dos reconstrucciones del inyector de UWS se lleva a cabo. Subsiguientes análisis se llevan a cabo sobre las dinámicas de rotura de la vena líquida, descubriendo que mecanismos rigen el proceso. El estudio de campo lejano usa un Discrete Droplet Model (DDM) para lidiar con las fases líquidas y gaseosas. En él, la evaporación del agua y el proceso de termólisis de la urea han sido considerados y comparados con resultados experimentales con el fin de obtener una metodología fiel para su caracterización. Todo el conocimiento adquirido se aplica más tarde a un Close-Coupled SCR, en el cual condiciones de trabajo realista han sido consideradas. Además, una herramienta llamada Maximum Entropy Principle (MEP) es presentada. Por tanto, esta Tesis aporta una metodología valiosa capaz de predecir tanto el campo cercano como el lejano de chorros de UWS de una manera precisa. / [CA] La creixent preocupació sobre el efecte de l'emissió de gasos nocius provenients the motors de Combustió Interna Alternatius (ICE) a l'atmosfera ha dut als governs de tot el planeta a limitar la quantitat d'aquestes emisions, particularment a Europa mitjant les normes EURO. La dificultat de complir aquestes limitacions ha portat a l'industria automovilística a cambiar el focus de motors d'encedut per compresió (CI) o provocat (SI) cap a la electrificació o els combustibles lliures de carbó. No obstant això, aquesta transició no es pot dur a terme de manera senzilla , mentres que els combustibles lliures de carbó como l'Hidrogen (H2 ) o l'Amoniac (NH3 ) seguirien produint contaminants como els Óxids de Nitrogen (NOx ), amb els quals n'hi ha que bregar. Estes emissions poden ser particularment nocives per a l'esser humà ja que incrementen el risc de càncer de pulmó. La Reducció Catalítica Selectiva (SCR) ha demostrat ser una tecnología eficaç per a la reducció d'este contaminant en particular. Mitjançant una injecció d'una Solució D'Urea i Aigua, junt a l'energía térmica dels gasos d'fuita, es pot generar una quantitat suficiente de NH 3 capaç de neutralitzar els indesitjats NO x a un catalitzador de reducció. Amb l'inclusió dels SCR en automòvils lleugers a més de la seua tradicional presència en automòvils pesats, els SCR han segut el foc per a mijorar l'enteniment del seu principi d'actuació, i mijorar la seua eficiencia. Este estudi té como a objectiu proveir d'un mijor entenement del procés d'atomizació y degradació patit pels dolls de UWS. Les dinàmiques no estacionaries que es donen lloc en la zona propenca al doll, afegit a la gran influència de les característiques internes del injector sobre el desentroll de l'esprai, fan que els métods experimentals siguen complicats d'aplicar per entendre dit procés. Per un altre costat, la Mecànica de Fluïts Computacional (CFD) supon una alternativa que té certes avantatges. Per al propòsit d'esta Tesi, el CFD ha sigut utilitzat com la principal metodología per a caracteritzar elsesprais de SCR. Per mitjà de dits métodes, la Tesi vol desentrollar i seleccionar els models més apropiats que mitjos s'adapten a sprays de baixa velocitat, i establir un coneiximent per a posteriors estudis desentrollats sobre la mateixa temàtica. Una volta adquirits dits métodes, els mecanismes principals de trencament del doll, així com els de degradació de l'urea en amoníac s'analitzaran. En aquest sentit, l'us de técniques experimentals podría no ser utilitzat més en el futur per aquesta aplicació.Els métods CFD son aplicats i validats tant el el camp propenc com en el llunyà. Per al camp propenc, el tractament multi-component es porta a terme a través de métodes Eulerians-Eulerians, com el Model de Mescles, o el métode Volume-Of-Fluid. La caracterització hidràulica de dos reconstruccions de l'injector es porta a terme, els resultats del qual són comparats amb resultats experimentals. Subsegüents anàlisis es porten a terme sobre les dinàmiques de trencament de la vena líquida, descobrint qué mecanismes regeixen el procés. L'estudi de camp llunyà usa un Discrete Droplet Model (DDM) per a bregar en la fase líquida i gaseosa. En ell, l'evaporació del aigua y el procés de termòlisis de l'urea han sigut considerats i comparats amb el resultats experimentals amb la finalitat d'obtindre una metodología fidel per a la seua caracterització. Tot el coneixement obtingut s'aplica més tard a un Close-Coupled SCR, en el qual condicions de treball realistes han sigut considerades. Dels resultats obtinguts dels distints estudis, una ferramenta adicional anomenada Maximum Entropy Principle (MEP),capaç de predir el fenomen d'atomització dels doll de UWS sense la necessitat de realitzar simulacions del camp propenc, es presentat. Per tant, esta Tesi aporta una metodología capaç de predir tant el camp proper como el llunyà d'una manera precisa. / [EN] The increasing awareness of the effect of emitting harmful gases from Internal Combustion Engines (ICE) into the atmosphere has driven the governments across the globe to limit the amount of these emissions, par ticularly in Europe through the EURO norms. The difficulty to meet such limitations has driven the automotive industry to shift from traditional Compression Ignited (CI) or Spark Ignited (SI) engines toward electrification or carbon-free fuels. Nonetheless, this transition will not be easily done in the short and medium time frames, while carbon-free fuels such as Hydrogen (H2 ) and Ammonia (NH3 ) will keep producing certain pollutants such as Nitrogen Oxides (NOx ) which need taking care of. These emissions can be particularly hazardous for humans, increasing the risk of developing lung cancer. Selective Catalytic Reduction (SCR) is an effective technology for reducing this specific ICE contaminant. An injection of a Urea-Water Solution (UWS), together with the thermal energy of the combustion gases can generate a sufficient amount of NH 3 capable of neutralizing the unwanted NO x in a catalyst. With the fitting of SCR systems within light-duty applications, in addition to their traditional presence on heavy-duty usage, SCR has been on the focus to understand their working principle and improve their efficiency . This Thesis tries to become part of that scientific ensemble by characterizing the whole UWS injection process within a computational framework. The present research aims to provide a better understanding of the atomizing and degradation processes undergone by the UWS sprays. The transient dynamics taking place in the near-field region, added to the great influence of the inner-injector characteristics on the development of the spray make experimental approaches on such sprays challenging in providing such knowledge. Computational Fluid Dynamics (CFD) provide an alternative that has certain advantages. For this Thesis they have been adopted as the main methodology on characterizing SCR sprays. The Thesis tries to develop and select the appropriate models that best suit low-velocity sprays. With the suitable methods that best predict these sprays, the main jet breakup mechanisms, together with the urea-to-ammonia transformation will have their behavior analyzed. In that way, experimental techniques could be avoided for such applications. CFD is applied and validated both in the near-field and far-field regions. For the near-field, multi-component flows are treated through Eulerian-Eulerian such as the Mixture Model or the Volume-Of-Fluid method. Through them, a hydraulic characterization on two recon structions of the UWS injector is performed, with results compared with experimental data. Further analysis is done on the jet-to-droplet dynamics, assessing which mechanisms drove the process. The far-field analy sis uses a Discrete Droplet Model (DDM) for dealing with the gas and liquid phases. In it, the evaporation of water and the thermolysis process of the urea have been considered and again compared with experimental results to have a faithful methodology for its characterization. All the acquired knowledge has been later applied to a commercial Close-Coupled SCR, in which real-working conditions have been considered. From the results obtained from several studies, an additional tool called Maximum Entropy Principle (MEP), capable of predicting the UWS spray atomization phenomenon without the need to perform near-field simulations, has been provided. Accordingly, this Thesis provides a valuable methodology capable of predicting the near-field and far-field dynamics accurately thanks to its validation against experimental results from literature. Additionally, the MEP tool can be used independently for computational and experimental works to predict the performance of UWS atomizers.The work carried out presents a significant leap in the application of CFD tools in predicting low-velocity sprays. / Javier Marco Gimeno has been founded through a grant from the Government of Generalitat Valenciana with reference ACIF/2020/259 and financial support from the European Union. These same institutions, Government of Generalitat Valenciana and The European Union, supported through a grant for pre-doctoral stays out of the Comunitat Valenciana with reference CIBEFP/2021/11 the research carried out during the stay at Energy Systems, Argonne National Laboratory, United States of America. / Marco Gimeno, J. (2023). Computational study of Formation and Development of Liquid Jets in Low Injection Pressure Conditions. Focus on urea-water solution injection for exhaust gas aftertreatment [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/198699

[ES] El alto impacto del sector transporte respecto a las emisiones globales de CO2 y su efecto en el cambio climático ha llevado a que éste transite hacia tecnologías más eficientes y medioambientalmente sostenibles. Sin embargo, el ritmo de transformación es lento en relación a lo que se necesita para frenar el calentamiento global existente. En este sentido, en los últimos tiempos los caminos hacia la transformación se han diversificado; el concepto de "defossilization" ha surgido como alternativa a la descarbonización, ya que destaca la posibilidad de incluir una mayor cantidad de combustibles sintéticos y renovables, con los cuales se pueden obtener resultados igualmente efectivos. Dentro de estos, destacan los combustibles Polioximetileno dimetil éter (OMEn), su carácter oxigenado y no poseer enlaces carbono-carbono, los hace prometedores respecto a la formación de hollín. Además, presentan grandes similitudes y compatibilidades con el diésel convencional, lo cual posibilita el uso de la flota de vehículos con motores de combustión interna existente a nivel mundial, acelerando así la transición y siendo una alternativa con alcance global. La presente tesis tiene como objetivo llevar a cabo un estudio fundamental sobre el proceso de combustión y la estructura de la llama de chorros tipo Diésel cuando se utilizan combustibles tipo OMEn. Para la consecución de dicho objetivo, la metodología planteada es eminentemente computacional, encontrando aquí las mayores brechas en la literatura. Se lleva a cabo un estudio de la cinética química y el efecto de la difusión en los combustibles estudiados mediante configuraciones canónicas, como reactores homogéneos y flamelets de contraflujo. Posteriormente, se estudia detalladamente el proceso de combustión y la estructura de la llama mediante el uso extensivo de Dinámica de fluidos computacional (CFD, en inglés), con modelos de turbulencia RANS y LES, en conjunto con un modelo de combustión avanzado basado en el concepto de flamelets, denominado UFPV. Todos los casos estudiados están definidos siguiendo las directrices de la Engine Combustion Network (ECN), los cuales representan chorros inyectados en ambientes quiescentes con toberas monoorificio. Particularmente, se evalúan los Sprays A y D, y el impacto de variar la temperatura ambiente. Como conclusión general, se puede afirmar que estos modelos CFD predicen correctamente el desarrollo de la combustión bajo las condiciones analizadas, y que estos combustibles son capaces de desarrollar diferentes estructuras de llama altamente dependientes de las condiciones de contorno impuestas. / [CA] L'alt impacte del sector del transport respecte a les emissions globals de CO2 i el seu efecte en el canvi climàtic ha portat a que aquest transite cap a tecnologies més eficients i mediambientalment sostenibles. No obstant això, el ritme de transformació és lent en relació amb el que es necessita per frenar l'escalfament global existent. En aquest sentit, en els últims temps els camins cap a la transformació s'han diversificat; el concepte de "defossilització" ha sorgit com a alternativa a la descarbonització, ja que destaca la possibilitat d'incloure una major quantitat de combustibles sintètics i renovables, amb els quals es poden obtenir resultats igualment efectius. Dins d'aquests, destaquen els combustibles tipus polioximetilen dimetil èters (OMEn), el seu caràcter oxigenat i al no posseir enllaços carbó-carbó, els fa prometedors respecte a la formació de sutge. A més, presenten grans semblances i compatibilitats amb el dièsel convencional, la qual cosa possibilita l'ús de la flota de vehicles amb motors de combustió interna existent a nivell mundial, accelerant així la transició i essent una alternativa amb abast global. La present tesi té com a objectiu dur a terme un estudi basic sobre el procés de combustió i l'estructura de la flama de dolls tipus Dièsel quan s'utilitzen combustibles tipus OMEn. Per a la consecució d'aquest objectiu, la metodologia plantejada és eminentment computacional, trobant ací les majors mancances en la literatura. Es realitza un estudi de la cinètica química i l'efecte de la difusió en els combustibles estudiats mitjançant configuracions canòniques, com ara reactors homogenis i flamelets de contraflux. Posteriorment, s'estudia detalladament el procés de combustió i l'estructura de la flama mitjançant l'ús extensiu de dinàmica de fluids computacional (CFD, en anglés), amb models de turbulència RANS i LES, conjuntament amb un model de combustió avançat basat en el concepte de flamelets, anomenat UFPV. Tots els casos estudiats estan definits seguint les directrius de l'Engine Combustion Network (ECN, en anglés), els quals representen dolls injectats en ambients quiescents amb toveres mono-orifici. Particularment, s'avaluen els Sprays A i D, i l'impacte de variar la temperatura ambient. Com a conclusió general, es pot afirmar que aquests models CFD prediuen correctament el desenvolupament de la combustió sota les condicions analitzades, i que aquests combustibles són capaços de desenvolupar diferents estructures de flama altament dependents de les condicions de contorn imposades. / [EN] The significant impact of the transportation sector on global CO2 emissions and its effect on climate change has led to a shift towards more efficient and environmentally sustainable technologies. However, the pace of this transformation is slow relative to what is needed to mitigate existing global warming. In this regard, pathways toward transformation have diversified recently, with the concept of defossilization emerging as an alternative to decarbonization. Defossilization emphasizes the possibility of incorporating a greater variety of synthetic and renewable fuels, which can yield equally effective results. Among these alternatives, Polyoxymethylene dimethyl ether ($OMEn$) fuels stand out due to their oxygenated character and absence of carbon-carbon bonds, making them promising in reducing soot formation. Furthermore, their similarities and compatibilities with conventional diesel enable the utilization of the existing global fleet of internal combustion engine vehicles, thus potentially accelerating the transition on a global scale. This thesis aims to conduct a fundamental study on the combustion process and flame structure of Diesel-like sprays when OMEn-type fuels are utilized. To achieve this objective, the proposed methodology is eminently computational, addressing significant gaps in the existing literature. A study of chemical kinetics and diffusion effects in the fuels under investigation uses canonical configurations such as homogeneous reactors and counterflow flamelets. Subsequently, the combustion process and flame structure are examined in detail through extensive Computational fluid dynamics (CFD) simulations, employing RANS and LES turbulence models in conjunction with an advanced combustion model based on the flamelet concept, UFPV. All studied cases are defined according to the Engine Combustion Network (ECN) guidelines, representing sprays injected into quiescent environments with single-hole nozzles. Specifically, Spray A and D are evaluated, along with the impact of varying ambient temperatures. In conclusion, it can be affirmed that the CFD models accurately predict combustion development under the analysed conditions, and these fuels can develop different flame structures highly dependent on the imposed boundary conditions. / The respondent wishes to acknowledge the financial support received through a grant from Vicerrectorado de Investigación of Universitat Politècnica de València with reference FPI UPV SUBP2 (PAID-01-20) / De León Ceriani, D. (2024). Evaluation by Detailed CFD Modelling of the Effect of Renewable Fuels on the Flame Structure under Compression Ignition Engine Conditions [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/207008

This thesis details the development, verification and validation of an unsteady unstructured high order (≥ 3) h/p Discontinuous Galerkin - Fourier solver for the incompressible Navier-Stokes equations on static and rotating meshes in two and three dimensions. This general purpose solver is used to provide insight into cross-flow (wind or tidal) turbine physical phenomena. Simulation of this type of turbine for renewable energy generation needs to account for the rotational motion of the blades with respect to the fixed environment. This rotational motion implies azimuthal changes in blade aero/hydro-dynamics that result in complex flow phenomena such as stalled flows, vortex shedding and blade-vortex interactions. Simulation of these flow features necessitates the use of a high order code exhibiting low numerical errors. This thesis presents the development of such a high order solver, which has been conceived and implemented from scratch by the author during his doctoral work. To account for the relative mesh motion, the incompressible Navier-Stokes equations are written in arbitrary Lagrangian-Eulerian form and a non-conformal Discontinuous Galerkin (DG) formulation (i.e. Symmetric Interior Penalty Galerkin) is used for spatial discretisation. The DG method, together with a novel sliding mesh technique, allows direct linking of rotating and static meshes through the numerical fluxes. This technique shows spectral accuracy and no degradation of temporal convergence rates if rotational motion is applied to a region of the mesh. In addition, analytical mappings are introduced to account for curved external boundaries representing circular shapes and NACA foils. To simulate 3D flows, the 2D DG solver is parallelised and extended using Fourier series. This extension allows for laminar and turbulent regimes to be simulated through Direct Numerical Simulation and Large Eddy Simulation (LES) type approaches. Two LES methodologies are proposed. Various 2D and 3D cases are presented for laminar and turbulent regimes. Among others, solutions for: Stokes flows, the Taylor vortex problem, flows around square and circular cylinders, flows around static and rotating NACA foils and flows through rotating cross-flow turbines, are presented.