RANS models in CFD are used to predict the liner wall heat transfer characteristics of a gas turbine annular combustor with radial swirlers, over a Reynolds number range from 50,000 to 840,000. A three dimensional hybrid mesh of around twenty five million cells is created for a periodic section of an annular combustor with a single radial swirler. Different turbulence models are tested and it is found that the RNG k-e model with swirl correction gives the best comparisons with experiments. The Swirl number is shown to be an important factor in the behavior of the resulting flow field. The swirl flow entering the combustor expands and impinges on the combustor walls, resulting in a peak in heat transfer coefficient. The peak Nusselt number is found to be quite insensitive to the Reynolds number only increasing from 1850 at Re=50,000 to 2200 at Re=840,000, indicating a strong dependence on the Swirl number which remains constant at 0.8 on entry to the combustor. Thus the peak augmentation ratio calculated with respect to a turbulent pipe flow decreases with Reynolds number. As the Reynolds number increases from 50,000 to 840,000, not only does the peak augmentation ratio decrease but it also diffuses out, such that at Re=840,000, the augmentation profiles at the combustor walls are quite uniform once the swirl flow impinges on the walls. It is surmised with some evidence that as the Reynolds number increases, a high tangential velocity persists in the vicinity of the combustor walls downstream of impingement, maintaining a near constant value of the heat transfer coefficient. The computed and experimental heat transfer augmentation ratios at low Reynolds numbers are within 30-40% of each other. / Master of Science

Surface behavior of poly (epsilon-caprolactone) (PCL) have been studied at the air/water interface (A/W). PCL is a hydrophobic and crystalline polyester with a glass transition temperature around -60 degrees centigrade, a melting point around 55 degrees centigrade, excellent biocompatibility, and low toxicity. In the past decade, PCL based systems have attracted considerable interest for controlled-release drug delivery and as scaffolds for tissue engineering, that require a fundamental understanding of PCL's degradation mechanisms and crystallization properties. PCL spherulites were commonly observed in previous bulk studies. This thesis focuses on PCL crystallization in Langmuir monolayers. Brewster angle microscopy (BAM) studies show that square, distorted rectangular, and dendritic crystals form at the A/W interface. While dendritic structures have been observed in poly (ethylene oxide) (PEO) thin film on solid substrates, this study of PCL is the first time that dendritic morphologies have been observed at the A/W interface for a linear flexible-coil polymer. As far as we know, the crystallization of flexible-coil polymers at the A/W interface is a brand new area of research. These findings may provide an interesting model system for studying crystallization in confined geometries and the effect of crystallinity on enzyme catalyzed hydrolysis of this important biodegradable polymer at the A/W interface. The main objectives of this thesis were to investigate the phase behavior of PCL at the A/W interface, gain a deeper understanding of the nucleation and growth mechanism of PCL crystallization at the A/W interface through surface pressure-area isotherms and isobaric area relaxation analyses, and interpret the effects of molecular weight on the nucleation and growth mechanism, and morphologies of semicrystalline PCL crystallized in Langmuir monolayers at the A/W interface. / Master of Science

Yes / Single nucleotide polymorphisms (SNPs) in PLCE1 and MICB genes increase risk for the development of dengue shock syndrome (DSS). We used Bioinformatics tools to predict alterations at the transcriptional and posttranslational levels driven by PLCE1 and MICB SNPs associated with DSS. Functional and phenotypic analysis conducted to determine deleterious SNPs and impact of amino acid substitution on the structure and function of proteins identified rs2274223 (H1619R) as deleterious to protein coding as it induces structural change in the C2 domain of PLCε, with the mutant residue more positively charged than the wild-type residue (RMSD score, 1.75 Å).Moreover, rs2274223 condenses the chromatinrepressing PLCε expression in DSS. Briefly, this study presents the impact of a single nucleotide transition at SNPs associated with DSS on differential protein binding patterns with PLCE1 and MICB genes and on protein structure modification and their possible role in the pathogenesis of DSS.

Les aciers TWIP se déforment par maclage et par glissement de dislocations, avec pour conséquence de forts taux d’écrouissage. Les mécanismes de déformation sont contrôlés par l’énergie de faute d’empilement (EFE). Un modèle de prévision de l’EFE et une régression de TNéel (transition antiferro/paramagnétique) de l’austénite sont proposés pour les systèmes FeMnXC (X = Cu, Cr, Al, Si et Ti). Les nuances FeMnCuC étudiées ont une EFE plus faible que la nuance de référence Fe22Mn0,6C. La formation de martensite [epsilon]?se substitue au maclage, sans dégradation des caractéristiques mécaniques en traction. La contrainte d'écoulement diminue avec la teneur en carbone et la formation de martensite [alpha]' aux plus basses EFE réduit l'allongement à rupture. La substitution d'une partie du manganèse par du cuivre permet un gain de 20% sur le module d'Young à température ambiante, en abaissant TNéel en dessous de 0ºC. La précipitation intragranulaire de carbures de vanadium augmente la limite d’élasticité mais n’influence pas le taux d’écrouissage. Aucune interaction entre précipités et macles n'a été observée en microscopie. Les calculs de cohérence et les mesures au MET montrent que les carbures ont une relation d'orientation avec l'austénite et sont semi-cohérents avec une faible cohérence résiduelle. Les contraintes induites ne semblent pas suffisantes pour piéger de grandes quantités d'hydrogène. Les alliages FeMnC + TiC présentent un fort durcissement par effet composite en début de déformation, tandis que l'écrouissage par effet TWIP n'est pas modifié par la présence des particules TiC. Cependant, le clivage des précipités primaires de grande taille réduit l'allongement à rupture / TWIP steels deformation occurs by twinning and by dislocations gliding which leads to high a strain hardening. The deformation mechanisms are controlled by the stacking fault energy (SFE). A model for the prediction of the SFE and a law for TNéel (antiferro to paramagnetic transition) for austenite are proposed in FeMnXC systems (X = Cu, Cr, Al, Si et Ti). The studied FeMnCuC grades have a lower SFE than the Fe22Mn0,6C reference. The formation of [epsilon]-martensite replaces twinning without any deterioration of the mechanical properties. The flow stress decreases with the carbon content and the formation of [alpha]'-martensite at the lowest SFEs reduces the elongation to fracture. Substituting a part of the manganese content by copper leads to a 20% increase of the Young's Modulus at room temperature by decreasing TNéel below 0ºC. The precipitation of intragranular vanadium carbide increases the yield stress but does not influence the strain hardening rate. No interaction between precipitates and twins has been observed by microscopy. The coherency calculations and the TEM observations show that the carbides have an orientation relation with the austenite and are semi-coherent with a low residual coherency. The resulting stresses do not seem to be high enough to trap large quantities of hydrogen. The FeMnC + TiC alloys exhibit a strong hardening by composite effect at the beginning of deformation, while the strain hardening due to TWIP effect is not modified by the presence of the TiC particles. Meanwhile, cleavage occurs in the largest primary precipitates, which reduces the elongation to fracture

Este trabalho é dedicado à análise e implementação de esquemas "upwind" de alta ordem modernos e o modelo de turbulência k-epsilon padrão no Freeflow-2D; um ambiente integrado para simulação numérica em diferenças finitas de problemas de escoamentos incompressíveis com superfícies livres. O propósito do estudo é a simulação de escoamentos de fluidos newtonianos incompressíveis, bidimensionais, confinados e/ou com superfícies livres e a altos valores do número de Reynolds. O desempenho do código Freeflow-2D atual é avaliada na simulação do escoamento numa expansão brusca e de um jato livre incidindo perpendicularmente sobre uma superfície rígida impermeável. O código é então aplicado na simulação de um jato planar turbulento em uma porção de fluido com superfície livre e estacionário. Os resultados numéricos obtidos são comparados com dados experimentais, soluções analíticas e soluções numéricas de outros trabalhos. / This work is devoted to the analysis and implementation of modern high-order upwind schemes and the standard k-epsilon turbulence model into the Freeflow-2D; a finite difference integrated environment for the numerical simulation of incompressible free surface flow problems. The purpose of this study is the two-dimensional simulation of high-Reynolds incompressible newtonian confined and/or free surface flows. The performance of the current Freeflow-2D code is assessed by applying it to the simulation of flow over a backward facing step and of an impinging free jet onto an impermeable rigid surface. The code is then applied to a turbulent planar jet into a pool. The numerical results are compared with experimental data, analytical solution, and numerical simulations of other works.

Este trabalho é dedicado à análise e implementação de esquemas "upwind" de alta ordem modernos e o modelo de turbulência k-epsilon padrão no Freeflow-2D; um ambiente integrado para simulação numérica em diferenças finitas de problemas de escoamentos incompressíveis com superfícies livres. O propósito do estudo é a simulação de escoamentos de fluidos newtonianos incompressíveis, bidimensionais, confinados e/ou com superfícies livres e a altos valores do número de Reynolds. O desempenho do código Freeflow-2D atual é avaliada na simulação do escoamento numa expansão brusca e de um jato livre incidindo perpendicularmente sobre uma superfície rígida impermeável. O código é então aplicado na simulação de um jato planar turbulento em uma porção de fluido com superfície livre e estacionário. Os resultados numéricos obtidos são comparados com dados experimentais, soluções analíticas e soluções numéricas de outros trabalhos. / This work is devoted to the analysis and implementation of modern high-order upwind schemes and the standard k-epsilon turbulence model into the Freeflow-2D; a finite difference integrated environment for the numerical simulation of incompressible free surface flow problems. The purpose of this study is the two-dimensional simulation of high-Reynolds incompressible newtonian confined and/or free surface flows. The performance of the current Freeflow-2D code is assessed by applying it to the simulation of flow over a backward facing step and of an impinging free jet onto an impermeable rigid surface. The code is then applied to a turbulent planar jet into a pool. The numerical results are compared with experimental data, analytical solution, and numerical simulations of other works.

Hlavním cílem této práce je seznámit se s požadavky specifické procesní aplikace a návrhem výměníku tepla s křížovým tokem pracovních látek a zhodnotit návrh předmětného výměníku pomocí simulačního softwaru. Nejprve jsou v práci prozkoumány provozní podmínky rekuperace odpadního tepla a obecné možnosti návrhu a jsou uvedeny základní rovnice pro tepelný a hydraulický výpočet. Hlavní část práce se zaměřuje na modulární trubkový výměník tepla s křížovým tokem pracovních látek navržený pro experimentální výzkum rekuperace tepla a zanášení ze znečištěných spalin produkovaných spalováním alternativních paliv na VUT v Brně (VUT) na Ústavu procesního inženýrství (UPI). Nejprve je stručně představena situace v testovací laboratoři. Poté je popsán postup návrhu předmětného tepelného výměníku pomocí softwaru HTRI a výsledky jsou shrnuty a porovnány s cílovými požadavky. Následně je analyzována distribuce toku vody v trubkovém prostoru uvnitř jednoho ze čtyř identických modulů výměníku tepla užitím softwaru CDF pomocí tří různých simulačních přístupů. Jsou popsány dva přístupy využívající model turbulence k--SST a jeden přístup využívající model turbulence k--Realizable turbulence. Nakonec jsou diskutovány rozdíly mezi přístupy a výsledky simulací distribuce toku.

Cette thèse porte sur le rotomoulage réactif de polyamide 6. Ce procédé a la particularité de présenter des cycles thermiques relativement réduit et de fabriquer des polymères sur mesure contrairement à son homologue conventionnelle. La voie envisagée pour la synthèse in situ de PA6 est la polymérisation anionique de l’ε-caprolactame par ouverture de cycle. Le Caprolactamate de sodium et le bromure de caprolactame-magnésium ont été utilisés comme catalyseurs, et l’hexaméthylène dicarbamoyl dicaprolactame a été employé comme activateur. L’étude rhéocinétique de deux systèmes réactifs lactames qui ont été utilisé à différentes compositions et températures a permis de déterminer une formulation appropriée aux exigences du procédé (faible viscosité initiale du système réactif, temps de polymérisation court...). La simultanéité des phénomènes de polymérisation et de cristallisation aux faibles températures à été observé à l’aide des résultats du suivi cinétique par DSC. La mise en forme par la technique de rotomoulage a été réalisée sur une installation pilote de rotomoulage associée à un système d’acquisition de température par télémesure radio. La comparaison des propriétés des articles en PA 6 obtenus par voie réactive par rapport a ceux obtenus par voie fondue, a montré un gain au niveau du temps de cycle et une amélioration des propriétés mécaniques du matériau notamment dans le domaine des faibles déformations. Le rotomoulage de la bicouche PA6/PE-GMA a été ainsi étudié, le contrôle des mécanismes réactionnels mis en jeu à l’interface par rhéologie, durant la formation de la couche de polymère PA6 par voie anionique sur une couche de PE-GMA a été effectué dans un rhéomètre, une bonne adhésion à l’interface a été observé. La faisabilité d’élaboration de nanocomposite PA 6/argile par le procède de rotomoulage réactif a été testé, les caractérisations physico-chimiques et les observations morphologiques ont été étudiés afin d’évaluer l’état de dispersion et la nature des interactions. Durant cette étude, nous avons mesurés la faisabilité de l’intercalation et le gonflement de l’argile dans le monomère ε- caprolactame et estimer la possibilité d’avoir une morphologie exfolié des nanocomposites élaborés par le procédé de rotomoulage réactif. / A reactive rotational molding (RRM) process was developed to obtain a PA6 by activated anionic ring-opening polymerization of epsilon-caprolactam (APA6). Sodium caprolactamate (C10) and caprolactam magnesium bromide (C1) were employed as catalysts, and difunctional hexamethylene-1,6-dicarbamoylcaprolactam (C20) was used as an activator. The kinetics of the anionic polymerization of ε-caprolactam into polyamide 6 was monitored through dynamic rheology and differential scanning calorimetry measurements. The effect of the processing parameters, such as the polymerization temperature, different catalyst/activator combinations and concentrations, on the kinetics of polymerization is discussed. A temperature of 150°C was demonstrated to be the most appropriate. It was also found that crystallization may occur during PA6 polymerization and that the combination C1/C20 was well suited as it permitted a suitable induction time. Isoviscosity curves were drawn in order to determine the available processing window for RRM. The properties of the obtained APA6 were compared with those of a conventionally rotomolded PA6. Results pointed at lower cycle times and increased tensile properties at weak deformation. Additionally, rotational molding of the bilayer PA6/PE-GMA has been studied, the control of the reactions mechanisms involved in the interface by rheology , during formation of the anionically PA6 polymer layer on a PE- GMA layer was carried out in a rheometer , a good adhesion at the interface was observed. The feasibility of developing nanocomposite PA 6/clay by reactive rotational molding process has been tested; the physico-chemical characterization and morphological observations were studied to assess the state of dispersion and the nature of interactions. During this study, we measured the feasibility of intercalation and swelling the clay in the ε-caprolactam monomer and estimate the possibility of having morphology of exfoliated nanocomposites prepared by reactive rotational molding process.

L'ostéoporose est la maladie métabolique la plus fréquente qui touche l'os. Plusieurs substances actives sont utilisées pour le traitement pharmacologique de cette maladie. Cependant, ce sont les bisphosphonates et surtout l'alendronate de sodium, qui sont prescrits en première intention. L'alendronate de sodium est, en effet, très efficace mais présente une faible absorption quand il est administré par la voie orale. Sa solubilité dans l'eau est de 20 mg/ml. Il présente en outre une faible biodisponibilité (de 0,6 à 0,7%). Cette substance active est aussi à l'origine d'effets indésirables d'irritation au niveau de l'oesophage, l'estomac et l'intestin. Ces effets sont dus à un contact local des cristaux de la substance active avec la muqueuse. L'approche d'encapsulation des substances actives dans des particules polymériques a permis d'obtenir plusieurs bénéfices thérapeutiques comme l'amélioration de la biodisponibilité et la diminution des effets indésirables. Dans la première partie de notre étude, on a réalisé l'encapsulation de l'alendronate dans des nanoparticules à base de poly-epsilon-caprolactone en utilisant la nanoprécipitation et l'émulsion double. Les nanoparticules obtenues ont une forme sphérique et une taille comprise entre 200 et 450 nm. Le meilleur pourcentage d'encapsulation a été de 34% et il a été obtenu avec la technique d'émulsion double. Ceci confirme que cette méthode est plus adaptée à l'encapsulation des molécules hydrophiles. Le profil de libération in vitro a montré deux phases : une première phase de libération relativement rapide et une deuxième phase beaucoup plus lente. L'analyse par modélisation mathématique a montré que la libération in vitro de l'alendronate se fait par diffusion et relâchement des chaines polymériques / Osteoporosis is the most frequent metabolic disease that affects bone. Many actives have been used as pharmacological treatment of this disease. However, bisphosphonates, especially, alendronate sodium, are indicated as first line regimen. Alendronate is highly efficient but presents low absorption after oral administration. Its solubility in water is 20 mg/ml. It has also poor bioavailability (0.6-0.7%). In addition, this active could lead to many side effects, which are mainly related to the esophagus, the stomach and the intestine. Such effects are linked to a local contact of drug crystals with the mucosa. Encapsulation of active molecules allowed the obtaining of many advantages over conventional pharmaceutical forms such as, bioavailability and tolerance enhancement. In the first part of our study, we managed to encapsulate alendronate sodium in poly-epsilon-caprolactone nanoparticles via two techniques: nanoprecipitation and double emulsion. Obtained nanoparticles presented a spherical form. Their size ranged between 200 and 450 nm. The highest encapsulation efficiency value was 34% and was obtained via double emulsion technique. This confirms that double emulsion is more suitable for hydrophilic drugs encapsulation. In vitro release profile showed two phases: first phase of burst release and a second more prolonged phase. Mathematical modeling showed that alendronate in vitro release occurs by drug diffusion and polymer chain relaxation. In the second experimental part, we managed to find a more interesting alternative. In fact, we opted for the use of chitosan which is a natural hydrophilic polymer. One of the obtained advantages is the avoidance of organic solvents use. In addition, this approach allowed the enhancement of encapsulation efficiency as this value increased to 70%. The used technique is ionic gelation. It is a simple encapsulation technique that is based on the transformation of a dissolved polymer to a gel-like state

La proximité omniprésente de l’ordre magnétique et supraconducteur dans les supraconducteurs non conventionnels implique l’importance de comprendre le magnétisme dans ces matériaux. Dans ce contexte, cette thèse porte sur l’étude du magnétisme dans trois supraconducteurs non conventionnels. Les excitations magnétiques dans le système d’oxychlorure de cuivre de l’élément léger Ca2CuO2Cl2 ont été étudiées en fonction du dopage et de la température en utilisant principalement la diffusion inélastique résonante aux rayons X. L’effet de la pression sur le magnétisme dans epsilon-fer et le beta-FeSe a été étudié en utilisant la spectroscopie d’émission des rayons X et la diffraction des neutrons sur poudre. / The ubiquitous proximity of magnetic and superconducting order in unconventional superconductors implies the importance of understanding magnetism in these materials. In this context, this thesis concerns the study of magnetism in three unconventional superconductors. The magnetic excitations in the light element copper oxychloride system Ca2CuO2Cl2 were studied as a function of doping and temperature using primarily resonant inelastic x-ray scattering. The effect of pressure on magnetism in epsilon-iron and beta-FeSe was studied using x-ray emission spectroscopy and neutron powder diffraction.