Nous présentons dans cette thèse nos travaux sur la réduction d'ordre appliquée à des simulations d'aérothermie. Nous considérons le couplage entre les équations de Navier-Stokes et une équations d'énergie de type advection-diffusion. Les paramètres physiques considérés nous obligent à considéré l'introduction d'opérateurs de stabilisation de type SUPG ou GLS. Le but étant d'ajouter une diffusion numérique dans la direction du champs de convection, afin de supprimer les oscillations non-phyisques. Nous présentons également notre stratégie de résolution basée sur la méthode des bases réduite (RBM). Afin de retrouver une décomposition affine, essentielle pour l'application de la RBM, nous avons implémenté une version discrète de la méthode d'interpolation empirique (EIM). Cette variante permet de la construction d'approximation affine pour des opérateurs complexes. Nous utilisons notamment cette méthode pour la réduction des opérateurs de stabilisations. Cependant, la construction des bases EIM pour des problèmes non-linéaires implique un grand nombre de résolution éléments finis. Pour pallier à ce problème, nous mettons en oeuvre les récents développement de l'algorithme de coconstruction entre EIM et RBM (SER). / We present in this thesis our work on model order reduction for aerothermal simulations. We consider the coupling between the incompressible Navier-Stokes equations and an advection-diffusion equation for the temperature. Since the physical parameters induce high Reynolds and Peclet numbers, we have to introduce stabilization operators in the formulation to deal with the well known numerical stability issue. The chosen stabilization, applied to both fluid and heat equations, is the usual Streamline-Upwind/Petrov-Galerkin (SUPG) which add artificial diffusivity in the direction of the convection field. We also introduce our order reduction strategy for this model, based on the Reduced Basis Method (RBM). To recover an affine decomposition for this complex model, we implemented a discrete variation of the Empirical Interpolation Method (EIM) which is a discrete version of the original EIM. This variant allows building an approximated affine decomposition for complex operators such as in the case of SUPG. We also use this method for the non-linear operators induced by the shock capturing method. The construction of an EIM basis for non-linear operators involves a potentially huge number of non-linear FEM resolutions - depending on the size of the sampling. Even if this basis is built during an offline phase, we usually can not afford such expensive computational cost. We took advantage of the recent development of the Simultaneous EIM Reduced basis algorithm (SER) to tackle this issue.

Made available in DSpace on 2015-05-14T13:21:45Z (GMT). No. of bitstreams: 1 parte1.pdf: 2326464 bytes, checksum: edf040b92b5fdf343007a3626c02e26b (MD5) Previous issue date: 2009-02-19 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPES / The present work aimed at investigating the biodiesel issuing from the transesterification of used frying oil with ethanol, via alkaline catalysis. Such investigation covers its thermo-oxidative stability during heating (thermal analysis and rheological properties) as well the kinetic profiles of the samples in the best oxidative induction time by the technique of Pressurized Differential Scanning Calorimetry (PDSC). The behavior of such biodiesel, as part of binary blends with fossil diesel at the proportions of 3, 5, 10, 25, 50, 75 and 100%, was also studied. The biodiesel synthesis used the ethanol route and was carried out under the following conditions: oil/alcohol molar ratio of 1:6 (m/m), 1 % de KOH, temperature of 32 °C, washing with 0.1M HCl and hot water. The reaction yield, determined by means of a mass balance aided by the technique of gas chromatography coupled to mass spectrometry, was of 90.56% and the ester content was of 99.56%. According to the physicochemical analyses, all the specifications for the biodiesel and blends met the requirements from Technical Regulation # 7 from the Brazilian National Agency of Petroleum, Natural Gas and Biofuels, with the exceptions of the odixative induction time (1.72 h) and kinematic viscosity (6.10 mm2s-1), which displayed values outside the limits established by the standard. In the thermal study, the thermogravimetric curves showed that the biodiesel blends in diesel are more volatile than the biodiesel derived from used frying oil (B100), whereas at lower concentrations (3, 5, 10 and 25%) are similar to fossil diesel. At higher concentrations (50 and 75%) the blends presented lower volatility and higher thermal stability in relation to fossil diesel and thus, biodiesel and its more concentrated blends showed higher safety in relation to transport, storage, handling and utilization. The study of the fluid dynamic properties of biodiesel and its blends showed that all the samples behave as Newtonian fluids at the studied (10, 25 and 40 ºC) temperatures. Also the results of cloud point, pour point and cold filter plugging point showed that the behavior of the blends with 3, 5 and 10% are similar to fossil diesel, therefore at these concentrations biodiesel acts as a lubricity additive to fossil diesel. The study by Pressurized Differential Scanning Calorimetry (PDSC) in the dynamic mode and the Rancimat technique revealed that the best antioxidant for the storage of biodiesel is BHT at the concentration of 2500 ppm. The determination of the kinetic parameters by the isothermal PDSC technique allowed determining the theoretical value of the shelf life of used frying oil biodiesel with 2500 ppm of the antioxidant BHT. Therefore, used frying oil biodiesel and its blends B3, B5, B10, B25, B50 and B75 may be used as an alternative source of biofuels. / O presente trabalho buscou investigar o biodiesel proveniente da transesterificação do óleo de fritura usado com álcool etílico, via catálise básica, e elucidar a sua estabilidade termo-oxidativa durante o aquecimento (análise térmica e propriedade reologicas) e estudar o perfil cinético da amostra com o melhor tempo de indução oxidativa pela técnica de calorimetria exploratória diferencial pressurizada (PDSC). Também, foi observado o comportamento do referido biodiesel, inserido em misturas binárias com o diesel fóssil nas proporções de 3, 5, 10, 25, 50, 75 e 100% também foi estudada. A síntese do biodiesel na rota etanólica processou-se sob condições de: razão molar óleo-álcool de 1:6 (m/m), 1 % de KOH, temperatura de 32 °C, lavagem com HCl 0,1 M e água quente. O rendimento reacional determinado por balanço de massa com auxilio da técnica de cromatografia gasosa acoplada a espectrometria de massa, foi de 90,56 %, com teor de esteres de 99,56 %. Nas análises físicoquímicas, todos as especificações para ambos biodiesel e blendas satisfizeram as exigências dos limites permitidos pelo Regulamento Técnico nº 7 da Agência Nacional do Petróleo, Gás Natural e Biocombustíveis. Com exceção do tempo de indução oxidativa (1,72 h) e a viscosidade cinemática (6,10 mm2s-1) que apresentaram valores fora dos limites estabelecidos pela norma. No estudo térmico, as curvas termogravimétricas evidenciaram que as blendas de biodiesel em diesel são mais voláteis em relação ao biodiesel derivado de óleo de fritura usado (B100) e em baixas concentrações (3, 5, 10 e 25%) se assemelham ao diesel fóssil. Em concentrações mais elevadas (50 e 75%) as blendas apresentam menor volatilidade e maior estabilidade térmica em relação ao diesel fóssil, e, portanto, o biodiesel e suas blendas mais concentradas apresentam maior segurança em relação ao transporte, armazenagem, manuseio e utilização. O estudo das propriedades fluído-dinâmicas do biodiesel e suas blendas, demostraram que todas as amostras comportam como fluídos newtonianos a temperatura (10, 25 e 40 ºC) e que tanto os resultados de ponto de nevoa, fluidez e ponto de entupimento de filtro a frio, apresentaram comportamento para as blendas 3, 5 e 10% semelhantes ao observado para o diesel fossil, e, portanto nestas concentrações o biodiesel atua como um aditivo de lubricidade do óleo diesel fossil. O estudo por calorimetria exploratória diferencial pressurizada no modo dinâmico e a técnica de rancimat revelou que o melhor antioxidante para o armazenamento do biodiesel é o BHT com concentração de 2500 ppm. A determinação dos parâmetros cinéticos pela técnica de PDSC isotérmica foi possível determinar teoricamente o tempo de vida de prateleira do biodiesel derivado de óleo de fritura usado com 2500 ppm do antioxidante BHT. Então, o biodiesel de fritura usado e blendas B3, B5, B10, B25, B50 e B75 podem ser utilizados como uma fonte alternativa de biocombustíveis.

Orientador: Jose Roberto Nunhez / Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica / Made available in DSpace on 2018-08-11T08:15:27Z (GMT). No. of bitstreams: 1 Lopes_GabrielaCantarelli_M.pdf: 1710566 bytes, checksum: efab0c6308734536b15c2ef91d4d8337 (MD5) Previous issue date: 2008 / Resumo: Processos que envolvem escoamentos de fluidos no interior de dutos estão presentes em muitas aplicações industriais. Na indústria petroquímica um desses processos que vem se tornando cada vez mais importante é o craqueamento catalítico de frações pesadas do petróleo, já que as converte em frações leves e mais nobres. Por causa da crescente demanda mundial por gasolina e GLP e à sua alta rentabilidade para uma refinaria de petróleo, unidades de craqueamento catalítico em leito fluidizado (FCC) estão presentes em todo o mundo. Testes experimentais costumam ser usados no estudo dos fenômenos envolvidos nesse processo. Porém esse tipo de análise possui alto custo, que pode ser reduzido com o uso de simulações computacionais em seu estudo inicial. Assim, o objetivo deste trabalho foi desenvolver um modelo tridimensional e elíptico, em linguagem Fortran, capaz de fornecer dados para a análise preliminar de escoamentos no interior de reatores de FCC. Na modelagem desses problemas são usadas equações diferenciais parciais, e essas não possuem solução analítica conhecida, sendo necessário o emprego de métodos numéricos para esse fim. Neste trabalho foi usado o Método dos Volumes Finitos, que tem a função de substituir as equações diferenciais parciais por equações algébricas aplicadas a pequenos volumes de controle finitos pertencentes ao domínio. Uma das maiores dificuldades encontradas no tratamento numérico de escoamentos incompressíveis é a determinação de um campo de pressão que satisfaça a Equação da Continuidade. Esse problema foi resolvido fazendo-se uso da abordagem acoplp.da de solução. Para análise do modelo foram obtidos perfis numéricos de velocidade e pressão para fluidos escoando em regimes laminar e turbulento, que foram validados usando-se os dados obtidos com a solução analítica das equações, por correlações (semi-) empíricas ou por dados experimentais, conforme cada um dos casos. Notou-se que o modelo representa muito bem casos laminares, e gue 11.oS casos turbulentos foi necessário um maior refino da malha próximo a parede do tubo. Também foram feitas simulações para que se pudessem observar as características tridimensionais, elípticas e transientes da modelagem do escoamento. De maneira geral o modelo se mostrou bastante rápido, convergindo em poucas iterações. Palavras-Chave: Fluidodinâmica computacional; dutos cilíndricos; modelo tridimensional e elíptico; método dos Volumes Finitos; solução acoplada; turbulência / Abstract: Processes involving fluid flow in tubes are present in many industrial applications. In petrochemical industry one of these processes that are becoming more and more important is the fluid catalytic cracking of heavy petroleum fractions. This fact is due to the process capacity to convert heavy fractions in light and valuable ones. Because of the increasingly worldwide demand for gasoline and LPG and its high yield for a petroleum refinery, fluid catalytic cracking (FCC) units are present in the whole world. Experimental tests are used in the study of the phenomena involved in this processo However this kind of analysis has high cost which can be reduced by using computational simulations in its initial study. Thus, the aim of this work was the development of a three-dimensional and elliptical mo dei in Fortran language in order to provide data for fluid flow preliminary analysis in FCC reactors. Partial differential equations were used in the modeling of these problems. These equations do not have known analytical solution, being necessary therefore the use of numerical methods. In this work the Finite Volume Method were applied with this purpose. This method has as a role to substitute the partial differential equations of the mo dei for algebric equations applied to small finite control volumes of the domain. One of the biggest difficulties found in the numerical treatment of incompressible fluid flows is the determination of apressure field that satisfies the Continuity Equation. This problem was solved using the coupled solution approach. For model analysis, numerical velocity and pressure proJ:iles for laminar and turbulent flows were obtained, that had been validated using the data obtained through the analytical solution of the equations, by empirical correlations or by experimental data, according to each one of the cases. The model represented well laminar cases, and in the turbulent ones the mesh had to be more refined near the tube wall. Other simulations were performed, in aQalyzing the three-dimensional, elliptical and transient model characteristics. In general, the mo dei was very fast, converging in a few interations. Keywords: Computational fluid dyn~mic; cylindrical ducts; three-dimensional and elliptical model; Finite Volume Method; coupled solution; turbulence / Mestrado / Desenvolvimento de Processos Químicos / Mestre em Engenharia Química

The diploma thesis deals with the analysis of problems of unevenly stratified air flow in air handling units and subsequent optimization with respect to speed ratios, energy efficiency and legislative requirements. Methods of solving the problem are theoretical and experimental, while the theoretical part deals with air distribution by means of air-conditioning fans with a focus on their aerodynamics, pressure conditions and other requirements, which are an integral part of properly designed equipment. In the experimental part of the thesis was applied a proposal of an innovative technical approach to a specific model of air conditioning assembly, which was implemented in the laboratories of the Institute of Building Services.

Diploma thesis deals with problems of design a sludge pump with a vortex impeller. Clearly summarizes the basic information on hydrodynamic pumps with a significant focus on sludge pumps. It contains a design of a vortex impeller, which is supported by CFD (Computational Fluid Dynamic) calculation in software Fluent. The aim of the work is to design vortex impeller, which could replace the existing channel impeller while maintaining the operating parameters of the pump.

Considérant les récents progrès dans le domaine du Calcul Haute Performance, le but ultime des constructeurs aéronautiques tels que Safran Aircraft Engines (SAE) sera de simuler un moteur d'avion complet, à l'échelle 1, utilisant la mécanique des fluides numérique d'ici 2030. Le but de cette thèse de doctorat est donc de donner une contribution scientifique à ce projet. En effet, ce travail est consacré au développement d'une méthode élément finis variationnelle adaptative visant à améliorer la simulation aérothermique du refroidissement des aubes de turbine. Plus précisément, notre objectif est de développer une nouvelle méthode d'adaptation de maillage multi-échelle adaptée à la résolution des transferts thermiques hautement convectifs dans les écoulements turbulents. Pour cela, nous proposons un contrôle hiérarchique des erreurs, basé sur des estimateurs d'erreur sous-échelle de type VMS. La première contribution de ce travail est de proposer une nouvelle méthode d'adaptation de maillage isotrope basée sur ces estimateurs d'erreur sous-échelle. La seconde contribution est de combiner (i) un indicateur d'erreur d'interpolation anisotrope avec (ii) un estimateur d'erreur sous-échelle pour l'adaptation anisotrope de maillage. Les résultats sur des cas analytiques 2D et 3D montrent que la méthode d'adaptation de maillage multi-échelle proposée nous permet d'obtenir des solutions hautement précises utilisant moins d'éléments, en comparaison avec les méthodes d'adaptation de maillage traditionnelles. Enfin, nous proposons dans cette thèse une description des méthodes de calcul parallèle dans Cimlib-CFD. Ensuite, nous présentons les deux systèmes de calcul utilisés pendant le doctorat. L'un d'eux est, en particulier, le super-calculateur GENCI Occigen II qui nous a permit de produire des résultats numériques sur un cas d'aube de turbine complète composé de 39 trous en utilisant des calculs massivement parallèles. / By 2030, considering the progress of HPC, aerospace manufacturers like Safran Aircraft Engines (SAE), hope to be able to simulate a whole aircraft engine, at full scale, using Computational Fluid Dynamic (CFD). The goal of this PhD thesis is to bring a scientific contribution to this research framework. Indeed, the present work is devoted to the development of a variational adaptive finite element method allowing to improve the aerothermal simulations related to the turbine blade cooling. More precisely, our goal is to develop a new multiscale mesh adaptation technique, well suited to the resolution of highly convective heat transfers in turbulent flows. To do so, we propose a hierarchical control of errors based on recently developed subscales VMS error estimators. The first contribution of this work is then to propose a new isotropic mesh adaptation technique based on the previous error estimates. The second contribution is to combine both (i) the coarse scales interpolation error indicator and (ii) the subscales error estimator for anisotropic mesh adaptation. The results on analytic 2D and 3D benchmarks show that the proposed multiscale mesh adaptation technique allows obtaining highly precise solutions with much less elements in comparison with other mesh adaptation techniques. Finally, we propose in this thesis a description of the parallel software capabilities of Cimlib-CFD. Then, we present the two hardware systems used during this PhD thesis. The first one is the lab's cluster allowing the development of numerical methods. The second one however, is the GENCI Occigen II supercomputer which allows producing numerical results using massively parallel computations. In particular, we present a more realistic industrial concerning the cooling of a complete turbine vane composed by 39 holes.

Truck drivers spend all day moving goods. They are exposed to vibrations every time they drive. Modern cabin suspension and an air-suspended seat already offer a high level of comfort. This, however, is designed for vertical dynamics and you can observe the cab of a truck performs large pitching vibrations during acceleration. These are examined here. A pitch model of the cabin is set up for this purpose. On the basis of this model it is examined which reduction of the vibration can be achieved by the use of a hydraulically translated vibration absorber. The advantage of this absorber is the use of the hydraulic transmission to reduce the heavy mass at high absorber inertia. 4 kg of fluid mass act as 131 kg absorber mass reducing vibrations by more than 10%. The conventional vibration absorber is inacceptable due to the additional load. The investigation based on VDI 2057 Part 1 shows that driving comfort can be increased.

Computational Fluid Dynamic Simulation of Intracranial Aneurysms Analysis of time-dependent changes of hemodynamic parameters - the road the clinical use Hemodynamics are involved in the genesis of intracranial aneurysms and time- dependent changes of their parameters lead to aneurysm growth, stabilization or rupture. Definition of these changes using computational fluid hemodynamics could significantly contribute to the understanding of aneurysmal development and rupture and could enable the routine use of mathematical simulations. In this study, computational fluid dynamics were performed for nine incidental aneurysms. Five aneurysms were monitored throughout time and factors leading to aneurysm rupture were analyzed. In four aneurysms the influence of the hemodynamics on the growth was defined. Major growth occurred in areas of low wall shear stress and oscillatory index. These areas increased in size during growth time. Contrary to this, neck shape remodeling occurred in areas with large wall shear stress and pressure. Throughout the follow-up of ruptured aneurysms, the minimal wall shear stress decreased, and the area of low wall shear stress increased significantly. The results indicate that decreasing values of minimal wall shear stress and increasing values of low wall shear stress area...

Accuracy in turbulence modeling remains a hurdle in the widespread use of Computational Fluid Dynamics (CFD) as a tool for furthering fluids dynamics research. Meanwhile, computational power remains a significant concern for solving real-life wall-bounded flows, which portray a wide range of length and time scales. The tools for turbulence analysis at our disposal, in the decreasing order of their accuracy, include Direct Numerical Simulation (DNS), Large Eddy Simulation (LES), and Reynolds-Averaged Navier Stokes (RANS) based models. While DNS and LES would remain exorbitantly expensive options for simulating high Reynolds number flows for the foreseeable future, RANS is and continues to be a viable option utilized in commercial and academic endeavors. In the first part of the present work, flow over the back-step test case was solved, and parametric studies for various parameters such as re-circulation length (X_r), coefficient of pressure (C_p), and coefficient of skin friction (C_f) are presented and validated with experimental results. The back-step setup was chosen as the test case as turbulent modeling of flow past backward-facing step has been pivotal to understand separated flows better. Turbulence modeling is done on the test case using RANS (k-ε and k-ω models), and LES modeling, for different values of Reynolds number (Re ∈ {2, 2.5, 3, 3.5} × 10⁴) and expansion ratios (ER ∈ {1.5, 2, 2.5, 3}). The LES results show good agreement with experimental results, and the discrepancy between the RANS results and experimental data was highlighted. The results obtained in the first part reveal a pattern of under-prediction noticed with using RANS-based models to analyze canonical setups such as the backward-facing step. The LES results show close proximity to experimental data, as mentioned above, which makes it an excellent source of training data for the machine learning analysis outlined in the second part. The highlighted discrepancy and the inability of the RANS model to accurately predict significant flow properties create the need for a better model. The purpose of the second part of the present study is to make systematic efforts to minimize the error between flow properties from RANS modeling and experimental data, as seen in the first part. A machine learning model was constructed in the second part of the present study to predict the eddy viscosity parameter (μt) as a function of turbulent kinetic energy (TKE) and dissipation rate (ε) derived from LES data, effectively working as an ad hoc eddy-viscosity based turbulence model. The machine learning model does not work well with the flow domain as a whole, but a zonal analysis reveals a better prediction of eddy viscosity than the whole domain. Among the zones, the area in the vicinity of the re-circulation zone gives the best result. The obtained results point towards the need for a zonal analysis for the better performance of the machine learning model, which will enable us to improve RANS predictions by developing a reduced order turbulence model.

The present work is aimed at investigating the mechanisms of nanowire growth from aqueous solutions through a physical and chemical modeling. Based on this modeling, deriving an optimized process control is intended. The work considers two methods of nanowire growth. The first is the dielectrophoretic nanowire assembly from neutral molecules or metal clusters. Secondly, in the directed electrochemical nanowire assembly metal-containing ions are reduced in an AC electric field in the vicinity of the nanowire tip and afterwards deposited at the nanowire surface. To describe the transport and growth processes, continuum models are employed. Furthermore, it has been necessary to consider electro-kinetic fluid flows to match the experimental observations. The occurring partial differential equations are solved numerically by means of finite element method (FEM). The effect of the process parameters on the nanowire growth are analyzed by comparing experimental results to a parameter study. The evaluation has yielded that an AC electro-osmotic fluid flow has a major influence on the dielectrophoretic nanowire assembly regarding the growth velocity and morphology. In the case of directed electrochemical nanowire assembly, the nanowire morphology can be controlled by the applied AC signal shape. Based on the nanowire growth model, an optimized AC signal has been designed, whose parametrization allows to adjust to the chemical precursor and the desired nanowire diameter. / Ziel der vorliegenden Arbeit ist es, mittels physikalischer und chemischer Modelle die Mechanismen des Nanodrahtwachstums aus wässrigen Lösungen zu erforschen und daraus eine optimierte Prozesskontrolle abzuleiten. Dabei werden zwei Verfahren des Nanodrahtwachstums näher betrachtet: Dies sind die dielektrophoretische Assemblierung von neutralen Molekülen oder Metallclustern sowie die gerichtete elektrochemische Nanodrahtabscheidung (engl. directed electrochemical nanowire assembly), bei der metallhaltige Ionen im elektrischen Wechselfeld an der Nanodrahtspitze zunächst reduziert und anschließend als Metallatome abgeschieden werden. Zur Beschreibung der Transport- und Wachstumsprozesse werden Kontinuumsmodelle eingesetzt. Darüber hinaus hat es sich als notwendig erwiesen, elektrokinetische Fluidströmungen zu berücksichtigen, um die experimentellen Beobachtungen zu reproduzieren. Die auftretenden partiellen Differenzialgleichungen werden mittels der Finiten Elemente Methode (FEM) numerisch gelöst. Die Auswirkungen der Prozessparameter auf das Nanodrahtwachstum werden durch den Vergleich von experimentellen Ergebnissen mit Parameterstudien analysiert. Die Auswertung hat ergeben, dass für das dielektrophoretische Wachstum ein durch Wechselfeldelektroosmose (engl. AC electro-osmosis) angetriebener Fluidstrom die Drahtwachstumsgeschwindigkeit und -morphologie maßgeblich beeinflusst. Im Falle der gerichteten elektrochemischen Nanodrahtabscheidung lässt sich die Drahtmorphologie über das angelegte elektrische Wechselsignal steuern. Unter Verwendung des Wachstumsmodells ist ein optimiertes Signal generiert worden, dessen Parametrisierung eine gezielte Anpassung auf den chemischen Ausgangsstoff und den gewünschten Drahtdurchmesser erlaubt.