Attention Deficit Hyperactivity Disorder (ADHD) is a disorder affecting cognitive control. These functions are important to achieve goals when different actions need to be executed in close succession. This type of multi-component behavior, which often further requires the processing of information from different modalities, is important for everyday activities. Yet, possible changes in neurophysiological mechanisms have not been investigated in adolescent ADHD. We examined N = 31 adolescent ADHD patients and N = 35 healthy controls (HC) in two Stop-Change experiments using either uni-modal or bi-modal stimuli to trigger stop and change processes. These stimuli were either presented together (SCD0) or in close succession of 300 milliseconds (SCD300). Using event-related potentials (ERP), EEG data decomposition and source localization we analyzed neural processes and functional neuroanatomical correlates of multicomponent behavior. Compared to HCs, ADHD patients had longer reaction times and higher error rates when Stop and Change stimuli were presented in close succession (SCD300), but not when presented together (SCD0). This effect was evident in the uni-modal and bi-modal experiment and is reflected by neurophysiological processes reflecting response selection mechanisms in the inferior parietal cortex (BA40). These processes were only detectable after accounting for intra-individual variability in neurophysiological data; i.e. there were no effects in standard ERPs. Multi-component behavior is not always deficient in ADHD. Rather, modulations in multi-component behavior depend on a critical temporal integration window during response selection which is associated with functioning of the inferior parietal cortex. This window is smaller than in HCs and independent of the complexity of sensory input.

Diesel fuel is composed of a complex mixture of hundreds of hydrocarbons that vary globally depending on crude oil sources, refining processes, legislative requirements and other factors. In order to simplify the study of this fuel, researchers create surrogate fuels with a much simpler composition, in an attempt to mimic and control the physical and chemical properties of Diesel fuel. The first surrogates were single-component fuels such as n-heptane and n-dodecane. Recent advancements have provided researchers the ability to develop multi-component surrogate fuels and apply them to both analytical and experimental studies. The systematic application of precisely controlled surrogate fuels promises to further enhance our understanding of Diesel combustion, efficiency, emissions and particulates and provide tools for investigating new and alternative engine combustion systems. This thesis employed analytical and experimental methods to develop, validate and study a library of multi-component surrogate Diesel fuels. The first step was to design a surrogate fuel to precisely match the physical and chemical properties of a full-range petroleum Diesel fuel with 50 cetane number and a typical threshold soot index value of 31. The next step was to create a Surrogate Fuel Library with 18 fuels that independently varied two key fuel properties: cetane number and threshold soot index. Within the fuel library cetane number ranged from 35 to 60 at three threshold soot index levels of 17, 31 and 48 (low, mid-range and high). Extensive ASTM fuel property tests showed that good agreement with important physical and chemical properties of petroleum Diesel fuel such as density, viscosity, heating value and distillation curve. An experimental investigation was conducted to evaluate the combustion, emissions, soot and exhaust particles from the petroleum Diesel fuel and the matching surrogate fuel. A fully-instrumented single-cylinder Diesel engine was operated with combustion strategies including Premixed Charge Compression Ignition (PCCI), Low-Temperature Combustion (LTC) and Conventional Diesel Combustion (CDC). For combustion, the ignition delay, low-temperature (first stage) and high temperature (second stage) heat-release matched very well. Gaseous emissions, soot and exhaust particles maintained good agreement as exhaust gas recirculation and combustion phasing were varied. This thesis demonstrated that fully representative Diesel surrogate fuels could be tailored with the proper blending of the following hydrocarbon components: n-hexadecane, 2,2,4,4,6,8,8-heptamethylnonane, decahydronaphthalene and 1-methylnaphthalene. It was also established that the volumetric blending fractions of these four components could be varied to independently control the fuel cetane number and threshold soot index while retaining the combustion, physical and chemical properties of full-range petroleum Diesel fuel. The Surrogate Fuel Library provided by this thesis supplies Diesel engine researchers and designers the ability to analytically and experimentally vary fuel cetane number and threshold soot index. This new capability to independently vary two key fuel properties provides a means to further enhance the understanding of Diesel combustion and design future combustion systems that improve efficiency and emissions. / El combustible diésel está compuesto por cientos de hidrocarburos cuya presencia y proporción varía dependiendo del origen del crudo, del proceso de refinado, de los requerimientos legislativos, y de muchos otros factores. Para evitar las dificultades que produce esta variabilidad y complejidad en su composición, en los estudios sistemáticos, los investigadores suelen trabajar con combustibles de sustitución, mucho más sencillos, pero que reproducen las propiedades químicas y físicas del gasóleo. Los primeros combustibles de sustitución estuvieron formados por un solo componente, como el n-heptano y el n-dodecano. Recientemente se han desarrollado combustibles de sustitución multi-componentes, que se aplican tanto a estudios experimentales como de modelado. La aplicación sistemática de combustibles de sustitución controlados con precisión es una vía prometedora para mejorar la comprensión de la combustión Diesel, su eficiencia, y sus emisiones y proporciona herramientas para la investigación de sistemas de combustión nuevos y alternativos. En esta tesis se han empleado métodos experimentales y de cálculo para desarrollar, estudiar y validar una librería de combustibles de sustitución multi-componentes. El primer combustible de sustitución se diseñó para reproducir con precisión las propiedades físicas y químicas de un gasóleo con número de cetano 50 y un índice de hollín umbral (TSI) de 31.El siguiente paso fue crear una biblioteca de combustibles de sustitución con 18 combustibles que pueden modificar independientemente dos propiedades clave del combustible: índice de cetano y TSI. En la biblioteca de combustibles el número de cetano osciló entre 35 y 60 con tres niveles de TSI iguales a 17, 31 y 48 (bajo, medio y alto rango). Los ensayos según la normativa ASTM demostraron una buena coincidencia con las propiedades del gasóleo como densidad, viscosidad, poder calorífico y curvas de destilación. Para comprobar la validez de la librería, se realizó un estudio experimental comparativo sobre el proceso de combustión, las emisiones gaseosas, hollín y partículas de un gasóleo y de su combustible de sustitución ajustado. El estudio se realizó con un motor monocilíndrico Diesel completamente instrumentado y operando con estrategias de combustión en premezcla parcial (PPCI) y de baja temperatura (LTC), además de la combustión Diesel convencional (CDC). Los parámetros de la combustión como el retraso al encendido y la liberación de calor tanto de baja como de alta temperatura se aproximaron muy bien. Las emisiones de gases, hollín y partículas también fueron similares al variar el nivel de EGR y la fase de la combustión. La tesis demuestra que se pueden encontrar combustibles de sustitución perfectamente representativos de un gasóleo corriente, en base a mezclas apropiadas de n-hexadecano, 2,2,4,4,6,8,8-heptamethylnonano, decahidronaftaleno y 1-metilnaftaleno. Asimismo, se concluye que variando la proporción de estos cuatro componentes se puede controlar independientemente el número de cetano y el índice de hollín umbral, a la vez que se mantienen las propiedades físico-químicas y de combustión del gasóleo. La librería de combustibles de sustitución definida en esta tesis es una herramienta a disposición de los investigadores para profundizar en el conocimiento de la combustión diésel y avanzar en el diseño de sistemas futuros de combustión con mejor rendimiento y menores emisiones. / El combustible Diesel està compost per centenars d'hidrocarburs, la presència i proporció dels quals varia depenent de l'origen del cru, del procés de refinat, dels requeriments legislatius, i de molts altres factors. Per a evitar les dificultats que produeix aquesta variabilitat i complexitat en la seua composició, en els estudis sistemàtics, els investigadors solen treballar amb combustibles de substitució, molt més senzills, però que reprodueixen les propietats químiques i físiques del gasoil. Els primers combustibles de substitució van estar formats per un sol component, com el n-heptà i el n-dodecà. Recentment s'han desenvolupat combustibles de substitució multi-components, que s'apliquen tant a estudis experimentals com de modelatge. L'aplicació sistemàtica de combustibles de substitució controlats amb precisió és una via prometedora per a millorar la comprensió de la combustió Dièsel, la seua eficiència, i les seues emissions i proporciona eines per a la recerca de sistemes de combustió nous i alternatius. En aquesta tesi s'han emprat mètodes experimentals i de càlcul per a desenvolupar, estudiar i validar una llibreria de combustibles de substitució multi-components. El primer combustible de substitució es va dissenyar per a reproduir amb precisió les propietats físiques i químiques d'un gasoil amb índex de cetà 50 i un índex de sutge límit (TSI) de 31. El següent pas va ser crear una biblioteca de combustibles de substitució amb 18 combustibles que poden modificar independentment dues propietats clau del combustible: índex de cetà i TSI. En la biblioteca de combustibles l'índex de cetá va oscil·lar entre 35 i 60 amb tres nivells de TSI iguals a 17, 31 i 48 (baix, mitjà i alt rang). Els assajos segons la normativa ASTM van demostrar una bona coincidència amb les propietats del gasoil com a densitat, viscositat, poder calorífic i corbes de destil·lació. Per a comprovar la validesa de la llibreria, es va realitzar un estudi experimental comparatiu sobre el procés de combustió, les emissions gasoses, sutge i partícules d'un gasoil i del seu combustible de substitució ajustat. L'estudi es va realitzar amb un motor monocilíndric Dièsel completament instrumentat i operant amb estratègies de combustió en premescla parcial (PPCI) i de baixa temperatura (LTC), a més de la combustió Dièsel convencional (CDC). Els paràmetres de la combustió com el retard a l'encès i l'alliberament de calor tant de baixa com d'alta temperatura es van aproximar molt bé. Les emissions de gasos, sutge i partícules també van ser similars en variar el nivell d'EGR i la fase de la combustió. La tesi demostra que es poden trobar combustibles de substitució perfectament representatius d'un gasoil corrent, sobre la base de mescles apropiades de n-hexadecà, 2,2,4,4,6,8,8-heptamethylnonà, decahidronaftalé i 1-metilnaftaleno. Així mateix, es conclou que variant la proporció d'aquests quatre components es pot controlar independentment l'índex de cetà i l'índex de sutge límit, alhora que es mantenen les propietats físic-químiques i de combustió del gasoil. La llibreria de combustibles de substitució definida en aquesta tesi és una eina a la disposició dels investigadors per a aprofundir en el coneixement de la combustió Diesel i avançar en el disseny de sistemes futurs de combustió amb millor rendiment i menors emissions. / Szymkowicz, P. (2017). ANALYTICAL AND EXPERIMENTAL INVESTIGATION OF MULTI-COMPONENT SURROGATE DIESEL FUELS [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/90406 / TESIS

La méthode de Boltzmann sur réseau est une formulation discrète particulière de l'équation de Boltzmann. Depuis ses débuts, il y a trente ans, cette méthode a gagné une certaine popularité, et elle est maintenant utilisée dans presque tous les problèmes habituellement rencontrés en mécanique des fluides notamment pour les écoulements multi-espèces. Dans le cadre de ce travail, une force de friction intermoléculaire est introduite pour modéliser les interactions entre les molécules de différent types causant principalement la diffusion entre les espèces. Les phénomènes de dissipation visqueuse (collision usuelle) et de diffusion moléculaire (force de friction intermoléculaire) sont séparés et peuvent être ajuster indépendamment. Le principal avantage de cette stratégie est sa compatibilité avec des optimisations de la collision usuelle et les opérateurs de collision avancés. Adapter un code mono-espèce pour aboutir à un code multi-espèces est aisé et demande beaucoup moins d’effort comparé aux précédentes tentatives. De plus, il n’ y a pas d’approximation du mélange, chaque espèce a ses propres coefficients de transport pouvant être calculés à l’aide de la théorie cinétique des gaz. En général, la diffusion et la convection sont vus comme deux mécanismes séparés : l’un agissant sur la masse d’une espèce, l’autre sur la quantité de mouvement du mélange. En utilisant une force de friction intermoléculaire, la diffusion et la convection sont couplés par l’intermédiaire la quantité de mouvement de chaque espèce. Les mécanismes de diffusion et de convection sont intimement liés dans de nombreux phénomènes physique tel que la digitation visqueuse.L’instabilité de digitation visqueuse est simulée en considérant dans un milieu poreux deux espèces dans des proportions différentes soit un mélange moins visqueux déplaçant un mélange plus visqueux. Les principaux moteurs de l’instabilité sont la diffusion et le contraste de viscosité entre les espèces. Deux stratégies sont envisagées pour simuler les effets d’un milieu poreux. Les méthodes de rebond partiel et de force de Brinkman bien que basées sur des approches fondamentalement différentes donnent dans notre cas des résultats identiques. Les taux de croissance de l’instabilité calculés à partir de la simulation coïncident avec ceux obtenus à partir d’analyses de stabilité linéaire. L’évolution de la longueur de mélange peut être divisée en deux étapes dominées d’abord par la diffusion puis par la convection. La physique de la digitation visqueuse est ainsi correctement simulée. Toutefois, les effets de diffusion multi-espèces ne sont généralement pas pris en compte lors de la digitation visqueuse de trois espèces et plus. Ces derniers ne sont pas négligeable puisque nous mettons en avant une configuration initialement stable qui se déstabilise. La diffusion inverse entraîne la digitation dont l’impact dépend de la diffusion entre les espèces. / The lattice Boltzmann method (LBM) is a specific discrete formulation of the Boltzmann equation. Since its first premises, thirty years ago, this method has gained some popularity and is now applied to almost all standard problems encountered in fluid mechanics including multi-component flows. In this work, we introduce the inter-molecular friction forces to take into account the interaction between molecules of different kinds resulting primarily in diffusion between components. Viscous dissipation (standard collision) and molecular diffusion (inter-molecular friction forces) phenomena are split, and both can be tuned distinctively. The main advantage of this strategy is optimizations of the collision and advanced collision operators are readily compatible. Adapting an existing code from single component to multiple miscible components is straightforward and required much less effort than the large modifications needed from previously available lattice Boltzmann models. Besides, there is no mixture approximation: each species has its own transport coefficients, which can be calculated from the kinetic theory of gases. In general, diffusion and convection are dealt with two separate mechanisms: one acting respectively on the species mass and the other acting on the mixture momentum. By employing an inter-molecular friction force, the diffusion and convection are coupled through the species momentum. Diffusion and convection mechanisms are closely related in several physical phenomena such as in the viscous fingering instability.A simulation of the viscous fingering instability is achieved by considering two species in different proportions in a porous medium: a less viscous mixture displacing a more viscous mixture. The core ingredients of the instability are the diffusion and the viscosity contrast between the components. Two strategies are investigated to mimic the effects of the porous medium. The gray lattice Boltzmann and Brinkman force models, although based on fundamentally different approaches, give in our case equivalent results. For early times, comparisons with linear stability analyses agree well with the growth rate calculated from the simulations. For intermediate times, the evolution of the mixing length can be divided into two stages dominated first by diffusion then by convection, as found in the literature. The whole physics of the viscous fingering is thus accurately simulated. Nevertheless, multi-component diffusion effects are usually not taken into account in the case of viscous fingering with three and more species. These effects are non-negligible as we showcase an initial stable configuration that becomes unstable. The reverse diffusion induces fingering whose impact depends on the diffusion between species.

L’analyse du champ d’ondes est un prérequis essentiel à l’étude de la propagation des ondes sismiques qui permet à son tour d’améliorer notre compréhension des processus physiques liés à la nature de la source et notre connaissance des milieux de propagation. L’objectif de cette thèse est de développer des techniques de traitement du signal afin d’améliorer l’exploitation des informations apportées par les stations et les antennes 3 composantes dans le but de caractériser le champ d’ondes sismiques. Elle se concentre sur les analyses de polarisation, leur extension aux antennes 3 composantes et leur utilisation conjointe avec des traitements d’antenne classiques. La thèse revient sur les approches existantes qui tentent d’étendre le traitement d’antenne aux 3 composantes. Ces méthodes existantes se montrent complexes et leur utilisation reste limitée, la thèse suggère deux méthodes alternatives associant successivement traitement d’antenne et polarisation. Afin d’exploiter au mieux les analyses de polarisation, un système standardisé de paramètres décrivant la polarisation est développé et associé à une solution de visualisation permettant de regrouper l’ensemble des paramètres essentiels à l’interprétation sur une figure unique. Finalement, une étude de polarisation sur l’antenne 3 composantes du LSBB (Laboratoire Souterrain Bas Bruit) démontre la possibilité d’utiliser la cohérence spatiale de la polarisation comme aide pour l’interprétation des sismogrammes / The analysis of the seismic wavefield is an essential pre-requisite to the study of seismic wave propagation which in turns helps improving our understanding of the physical processes behind the sources and our knowledge of the propagation medium. The objective of this thesis is to further develop signal processing techniques to more fully exploit the information brought by the 3 component stations and arrays in order to characterize the seismic wavefield. The thesis work focuses on polarization analysis, its extension to 3-component arrays and its joint use with classical array processing. A review of the existing methods that attempt to extend array processing to the 3-components leads to the observation that these methods are complex and their use is limited. Therefore, two alternative methods that associate array processing and polarization sequentially are suggested. In order to best exploit the polarization analyses, a standardized parametrization system describing the polarization is developed and associated with a visualization solution regrouping all the parameters necessary for the interpretation on one figure. Finally, a polarization analysis performed on data from the LSBB 3-component array demonstrates the possibility to use spatial coherency to assist with the interpretation of seismograms

Les récepteurs couplés aux protéines G représentent la plus grande famille de récepteurs membranaires. Parmi eux, nous avons choisi d’étudier deux récepteurs apparentés : les récepteurs de la prokinéticine 1 et 2. Ces deux récepteurs ont pour ligands des hormones de nature peptidique, divisées en deux sous-groupes : les prokinéticines 1 et 2. Ces deux prokinéticines sont impliquées dans plusieurs processus physiologiques en se liant à leurs récepteurs PKR1 et PKR2. Il a été récemment montré que la prokinéticine 2 pouvait stimuler la prolifération et la différenciation des cellules souches progénitrices cardiaques, via les récepteurs PKR1 et PKR2. Il a également été reporté que l’activation de PKR1 protège les cardiomyocytes et les cellules progénitrices cardiaques de l’apoptose. Afin d’étudier ces effets nous avons synthétisé des agonistes non-peptidiques du récepteur PKR1. Nous avons donc poursuivi les études de pharmacomodulation d’une première famille de composés et développé une seconde famille d’agonistes potentiels originaux, déterminée par des études de modélisation moléculaire. Une sonde fluorescente a été synthétisée afin d’évaluer la liaison de nouveaux composés. Au cours de ces travaux nous avons découvert une nouvelle réaction multi-composante permettant la synthèse d’un composé dihydropyrrole polyfonctionnel. Nous nous sommes alors intéressés à son mécanisme et à sa limitation chimique dans le but de former de nouveaux hétérocycles fonctionnalisés. / The G protein-coupled receptors represent the largest familly of membrane receptors. Among them,we choose to study two related receptors: prokineticin receptors 1 and 2. These two receptors have peptidic hormone ligands, divided in two sub-groups: prokineticins 1 and 2. Both prokineticins are involved in many physiological processes by binding to their receptors PKR1 and PKR2. It has recently been shown that prokineticin 2 could stimulate proliferation and differentiation of cardiac progenitor cells. It was also reported that activation of PKR1 protects cardiomyocytes and cardiac progenitor cells from apoptosis. To investigate these effects we synthesized non-peptidic receptor PKR1. We continued pharmacodulation studies of a first familly of compounds and developped a second familly of original potential agonists, determined by molecular modeling studies. A fluorescent probe was synthesized to access the binding of novel compounds. During this work we discovered a new multi-component reaction for the synthesis of a polyfunctional dihydrpyrrol compound. We then interested in the mechanism and its chemical limitation in order to form new functionalized heterocycles.

Gas-phase thermolysis is a long-known and well established method for the preparation of reactive species. It is, however, limited to relatively volatile substances, which are easily vaporised. In the present work, the solution-spray technique for preparative scale was developed. With this technique, it is possible to subject low-volatile substances, which hardly vaporise even under high-vacuum conditions, to gas-phase thermolysis. By utilising oil nozzles used in heating and burner systems, it was possible to integrate a stable solution-spray into the existing flash-vacuum-pyrolysis system. The influence of several variables, such as flow-rate, pressure, temperature and solvent was determined. The solution-spray technique was applied in [3,3]-sigmatropic rearrangements of certain propargyl thiocyanates to the corresponding allenyl isothiocyanates. Furthermore, the parent compound propa-1,2-dienyl isothiocyanate was reacted with various sterically demanding primary and secondary amines to form 2-amino-1,3-thiazoles in moderate to excellent yields. Based on this, a catalyst-free four-center three-component reaction was developed. 2-Amino-1,3-thiazoles with complex substituents in 5-position at the heterocyclic ring are formed. Reaction mechanisms are discussed to explain the occurance of a highly substituted 1,3-thiazine structure. The influence of reaction temperature, concentrations and solvent were determined and are also discussed. It was shown that 2-amino-5-methyl-1,3-thiazoles are the apparently first aromatic substance class, that readily undergoes Prins-type 1,3-dioxane ring-formation. / Die Gasphasenthermolyse ist eine lang bekannte und etablierte Methodik zur Synthese reaktiver Spezies. Sie ist allerdings auf flüchtige Substanzen mit einer guten Verdampfbarkeit beschränkt. Für schwerflüchtige Verbindungen, welche sich selbst im Hochvakuum nur mäßig oder gar nicht in die Gasphase bringen lassen, wurde in der vorliegenden Arbeit die Solution-Spray-Technik für die Anwendung im präparativen Maßstab entwickelt. Unter Verwendung von Ölzerstäuberdüsen, wie sie in der Heizungs- und Brennertechnik Anwendung finden, wurde die Erzeugung eines stabilen Lösungs-Sprays in die vorhandene Blitzvakuumpyrolyse-Technik integriert. Der Einfluss verschiedener Variablen, wie Flussrate, Druck, Temperatur und Lösungsmittel wurde untersucht. Die Solution-Spray-Technik wurde für die [3,3]-sigmatrope Umlagerung bestimmter Propargylthiocyanate zu Allenyl-isothiocyanaten angewendet. Des Weiteren wurde Propa-1,2-dienylisothiocyanat – das einfachste Allenylisothiocyanat – mit diversen sterisch anspruchsvollen primären und sekundären Aminen in mäßigen bis exzellenten Ausbeuten zu 2-Amino-1,3-thiazolen umgesetzt. Darauf aufbauend konnte eine Vier-Zentren-drei-Komponenten-Reaktion entwickelt werden. Es entstehen in hohen Ausbeuten 2-Amino-1,3-thiazole mit komplexen Substituenten an der 5-Position des Heterocyclus. Reaktionsmechanismen werden diskutiert um die alternative Bildung einer hochsubstituierten 1,3-Thiazinstruktur zu erklären. Der Einfluss von Reaktionstemperatur, Konzentration und Lösungsmittel auf das Produktverhältnis wurde ebenfalls untersucht und wird diskutiert. Es konnte gezeigt werden, dass 2-Amino-5-methyl-1,3-thiazole als offenbar erste aromatische Substanzklasse sehr gute Substrate für die Bildung von 1,3-Dioxanen nach Prins darstellen.

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

We study physical systems composed of at least two immiscible fluids occu- pying different regions of space, the so-called phases. Flows of such multi-phase fluids are frequently met in industrial applications which rises the need for their numerical simulations. In particular, the research conducted herein is motivated by the need to model the float glass forming process. The systems of interest are in the present contribution mathematically described in the framework of the so-called diffuse interface models. The thesis consists of two parts. In the modelling part, we first derive standard diffuse interface models and their generalized variants based on the concept of multi-component continuous medium and its careful thermodynamic analysis. We provide a critical assessment of assumptions that lead to different models for a given system. Our newly formulated class of generalized models of Cahn-Hilliard-Navier-Stokes-Fourier (CHNSF) type is applicable in a non-isothermal setting. Each model belonging to that class describes a mixture of separable, heat conducting Newtonian fluids that are either compressible or incompressible. The models capture capillary and thermal effects in thin interfacial regions where the fluids actually mix. In the computational part, we focus on the development of an efficient and robust...

No description available.

The legislation has forced the vehicle industry to reduce tail-end emissions. The air pollutant nitrogen oxide (NOX) has been shown to have a negative impact on human health and the environment. One of the key technologies to reduce the levels of NOX emitted from a vehicle is by implementing an after-treatment system. The after-treatment system includes catalysts, a particle filter and an evaporation system. In the evaporation system a liquid jet containing a urea-water solution known as AdBlue is injected into the hot exhaust gases to evaporate into gaseous ammonia NH3 and water H2O. Then NH3 enters the Selective Catalytic Reduction (SCR) catalyst where it chemically reacts with NOX to form N2 and H2O. Problems can arise if an excessive amount of AdBlue is injected and a fluid film is formed on evaporation surfaces. At certain operating conditions the fluid film can crystallise and form solid deposits. The solid deposits can cause high back-pressure, material deterioration and ammonia slip. This project is done in collaboration with Scania CV AB. Scania is a world-leading manufacturer of heavy-duty vehicles, busses and engines. Scania works continuously to develop new simulation methods to capture the complex phenomena of AdBlue spray, wall film dynamics and risk of solid deposits, to use in the development process of new components. The aim of this project is to implement and evaluate a new method to predict the risk of crystallisation of urea (AdBlue) using the software Star-CCM+. Two different geometries are studied, a test rig and a Scania silencer. Different operating conditions, parameter settings and a speed-up method are analysed. During the project a base-line model has been created and the results have been compared with measurement results and the software AVL Fire. The results on the test rig show the effect of altering the mesh and important model parameters. Injected particles are grouped into parcels with the same properties. The number of parcels is a crucial factor for the wall film formation and should be sufficiently high to get a statistical representation of the droplet size distribution. The results from the real silencer show strong evaporation and thin wall film formation with the suggested method. The method is shown to be stable and the software is user-friendly. A speed-up method was investigated to decrease the computational time. The computational time was reduced by a factor 20. The outcome of this project is a guide for set-up of AdBlue spray and wall film simulations. Recommendations to future work includes further validation of the settings, investigation of the evaporation rate and droplet size distribution and the application to other cases. The next step is also to tune the critical thresholds for deposit risk assessment. / Lagstiftning har tvingat fordonstillverkare att minska avgasutsläppen. Luftföroreningen kväveoxid (NOX) har visat sig ha en negativ inverkan på människors hälsa och på miljön. En viktig teknik för att minska utsläppen av NOX ¨ar att implementera ett efterbehandlingssystem. Efterbehandlingssystemet tar hand om avgaserna genom substrat, filter och ett förångningssystem. I förångningssystemet sprutas en urea-vattenlösning, som kallas AdBlue, in i de heta avgaserna där den förångas till ammoniak NH3 och vatten H2O. Ammoniakgasen leds därefter in till SCR katalysatorn där den kemiskt reagerar med NOX och bildar kvävgas N2 och vattenånga. Problem kan uppstå om fel mängd AdBlue sprutas in, då kan vätska byggas upp på förångsningsytor, kristallisera och bilda avlagringar. Avlagringarna kan bygga upp en solid klump som kan orsaka ett högt mottryck, nedbrytning av material och ammoniakslip. Detta arbete är ett samarbete med Scania CV AB som är en världsledande producent av lastbilar, bussar och motorer. Scania arbetar kontinuerligt med att utveckla nya simuleringsvertyg för att beskriva uppkomsten av Urea avlagringar för att använda i utvecklingen av nya komponenter. Syftet med detta arbete är att implementera och utvärdera en ny metod för att prediktera klump mha simuleringsverktyget Star-CCM+. Två olika geometrier är använd i arbetet: en testrigg och en av Scanias ljuddämpare. Olika driftspunkter, parametrar och en uppsnabbad metod är studerade. Under projektets gång har en modell byggts upp och jämförts med mätningar och simuleringar från programvaran AVL Fire. Resultatet från simuleringarna på testriggen visar effekten av att variera olika parametrar. Partiklarna som sprutas in i systemet är grupperade i paket med liknande egenskaper. Antalet paket påverkar uppbyggnaden av väggfilm och det rekommenderas att denna parameter hålls hög för att statistiskt beskriva droppfördelningen av partiklar. Resultaten på ljuddämparen visar en stark förångning och en tunn väggfilm för samtliga driftspunkter. Den implementerade metoden har visat sig vara stabil och användarvänlig. En uppsnabbad metod har utvärderats för att minska beräkningstiden. Beräkningstiden kunde minskas med en faktor 20. Resultatet av arbetet är en guide för hur metoden implementeras och bör användas. Rekommendationer till framtida arbete är en fortsatt undersökning av parametrar, utvärdering av förångningsmodellen, validering av droppstorleksfördelningen och tillämpningen på andra geometrier. Nästa steg i utvecklingen skulle vara att kalibrera tröskelvärden för prediktering av klump.