A modelagem farmacocinética permite prever a concentração de medicamentos em diferentes tecidos do organismo humano. O desenvolvimento de modelos matemáticos é importante para verificar a adequação de certos procedimentos realizados na administração de medicamentos. O objetivo deste trabalho é o desenvolvimento de um modelo farmacocinético capaz de prever a concentração plasmática de drogas no organismo para diversas formas de infusão. Foram utilizados dois tipos de abordagem. Inicialmente, na abordagem monocompartimental, considerou-se que a droga adentra ao organismo diretamente no compartimento sanguíneo, que representa todo o corpo humano. Já na abordagem bicompartimental foram considerados os seguintes compartimentos: um representando o meio pelo qual a droga é infundida no organismo (podendo ser via gastrointestinal, transdermal ou pulmonar) e outro representando o plasma sanguíneo. Em ambos os casos, foi considerada a hipótese de concentração homogênea da droga nos compartimentos em questão. O modelo foi estruturado na forma de diagramas de blocos e a solução foi feita com a utilização da Transformada de Laplace. Foi feita a validação dos modelos e verificou-se que os resultado gerados foram muito próximos dos resultados presentes na literatura. A utilização do modelo monocompartimental permitiu comparar os resultados da administração da mesma quantidade de droga por infusão constante e por infusão periódica. A análise dos resultados gerados pelo modelo mostrou que as concentrações atingidas pelos dois métodos não são as mesmas. O modelo bicompartimental permitiu simular administrações orais e transdermais, e inalação. Foi possível prever a concentração sanguínea após a interrupção da terapia com anti-concepcionais e anti-depressivos e foi verificado o tempo necessário para que esta concentração seja atingida novamente. Foram propostos métodos para que esta concentração fosse atingida em um menor período de tempo. Outra aplicação foi na comparação entre o tratamento com comprimidos inteiros e tomados pela metade em um intervalo menor de tempo. Verificou-se que a concentração atingida é diferente mesmo que a massa ingerida seja a mesma. O modelo também foi utilizado para calcular a concentração de nicotina após o consumo de cigarros e verificou-se que, o indivíduo que fuma a cada três horas não consegue eliminar totalmente a nicotina de seu organismo. Além disso, foi possível simular a sobredosagem de um anti-inflamatório e verificar o tempo em que a concentração fica acima do nível terapêutico. Foi proposto um método para obtenção do parâmetro farmacocinético relacionado à absorção, que pode ser obtido facilmente a partir de dados presentes nas bulas dos medicamentos. Este método é muito mais simples e preciso do que e proposto na literatura, que utiliza análise gráfica e dados clínicos que não são obtidos com tanta facilidade. / The pharmacokinetic modeling can predict the concentration of drug in different tissues of the human body. The development of mathematical models is an important tool to verify the appropriateness of certain procedures performed in medication administration. The objective of this work is to develop a pharmacokinetic model able to predict the plasma concentration of drug in the body after various forms of infusion. Two approaches were used. Initially, in the one-compartment approach it was considered that the drug enters the body directly into the blood compartment, which represents the entire human body. In the two-compartment approach it was considered the following compartments: one representing the means by which the drug is infused into the body (either via the gastrointestinal tract, lung, or transdermal) and one representing the blood plasma. In both cases, it was considered homogeneous concentration of the drug in the compartments. The model was built by using block diagrams and the solution was obtained using the Laplace Transform. The model was validated by comparing its results to literature data, with very good agreement. The model allowed comparing the one-compartment constant infusion of drug in the body with the periodic infusion. The analysis of the results generated by the model showed that the concentrations achieved by these methods are not the same. The two-compartment model allowed simulating oral and transdermal administration, and inhalation. It was possible to predict blood concentration after interruption of therapy with anti-depressants and anti-conceptional drugs. The model was able to verify the time it takes to reach the former level. Methods have been proposed to achieve the same concentration in a shorter period of time. Another application was the comparison of the treatment with whole tablets and taken by half in a smaller interval of time. It was found that the concentration achieved is different even though the same mass is ingested in both cases. The model was also used to calculate the concentration of nicotine after cigarette smoking and it was found that the individual who smokes every three hours, nicotine is not entirely eliminated from body. Furthermore, it was possible to simulate overdose of an anti-inflammatory and the period of time when the concentration is above the therapeutic level. It has been proposed a method to obtain pharmacokinetic parameter related to absorption, which can be easily obtained based on data present in the drug bull. This method is much simpler and more accurate than the method proposed in the, which uses graphical analysis and clinical data that are not so easy to be obtained.

Este trabalho apresenta uma avaliação dos parâmetros cinéticos, hidrodinâmicos e de transferência de massa de um reator radial aeróbio-anóxico de leito fixo, em escala piloto, com biomassa imobilizada em espuma de poliuretano e alimentado com efluente de um reator anaeróbio horizontal de leito fixo que tratava esgoto sanitário. Os parâmetros estimados demonstraram que as resistências líquido-sólido e intraparticular afetam significativamente a velocidade global de consumo de oxigênio no sistema de leito fixo e que a agitação mecânica pode minimizar essas resistências. Os valores de (KLA), para velocidades superficiais de ar entre 0,14 e 0,95 cm.s-1, variaram na faixa de 20,8 e 58,8 h-1 para água do sistema de abastecimento público, e 16,8 a 53,0 h-1 para esgoto pré-tratado anaerobiamente. A velocidade intrínseca de consumo de oxigênio foi estimada em 19,9 mgO2.g SSV-1.h-1. A velocidade de remoção de DQO pôde ser representada pelo modelo cinético de primeira ordem com residual e a conversão de nitrogênio seguiu modelo de reações em série, de pseudo-primeira ordem, com valores das constantes cinéticas k1 e k2 iguais a 0,251 h-1 e 6,624 h-1, respectivamente. O comportamento hidrodinâmico pôde ser representado pelo modelo de 3 e 4 tanques de mistura completa em série. Foi possível promover a nitrificação e desnitrificação no reator radial aeróbio-anóxico mantido parcialmente aerado, com tempos de detenção hidráulica de 3,3 horas na zona aeróbia e 2,7 horas na zona anóxica, e com adição de etanol como fonte externa de carbono. O efluente apresentou valor médio da DQOf de 52 mg O2.l-1, e concentrações de 2 mg N.l-1, 1,24 mg N.l-1 e 3,46 mg N.l-1, respectivamente, para nitrogênio amoniacal, nitrito e nitrato. / The assessment of hydrodynamics, mass transfer and kinetic parameters of a pilot fixed bed reactor containing immobilized biomass in polyurethane matrices and fed with the effluent of a horizontal-flow fixed bed anaerobic reactor that treated domestic sewege is presented. For oxygen, the estimated parameters showed that the liquid-solid and intra-particles resistances significantly affected the global substrate consumption velocity. It was also found that mechanical agitation can minimize such resistances. The KLA values for superficial velocities between 0.14 and 0.95 cm.s-1 varied from 20.8 to 58.8 h-1 for tap water, and 16.8 to 53.0 h-1 for the anaerobic pre-treated effluent. The oxygen consumption intrinsic velocity was estimated in 19.9 mgO2.gSSV-1.h-1. The COD removal velocity could be represented by a first order kinetic model with residual, while nitrogen conversion followed an also a first order reactions in series model, with kinetic constants k1 and k2 of 0.25 h-1 and 6.62 h-1, respectively. The hydrodynamics behavior could be represented by the model of three to four completely mixed reactors in series. It was possible to promote nitrification and the denitrification in the radial reactor kept partially aerated and operated at hydraulics detention times of 3.3 hours and 2.7 hours in the aerobic and anoxic zones, respectively. The radial reactor effluent presented COD of 52 mg.l-1, based on filtered samples, and concentrations of 2 mg N.l-1, 1.24 mg N.l-1, and 3,46 mg N.l-1 for ammonia nitrogen, nitrite and nitrate, respectively.

Orientadores: Milton Mori, Washington de Oliveira Geraldelli / Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica / Made available in DSpace on 2018-08-12T14:06:37Z (GMT). No. of bitstreams: 1 Ropelato_Karolline_D.pdf: 2250629 bytes, checksum: 15568f3eff580c49e2a6e20cc69a4f04 (MD5) Previous issue date: 2008 / Resumo: A compreensão dos fenômenos existentes em equipamentos industriais é de extrema importância para o seu projeto e otimização. O uso de colunas de destilação é conhecido antes mesmo do século XX. Desde o seu surgimento até os tempos atuais, significativos avanços ocorreram. A literatura apresenta diversos trabalhos considerando o estudo de colunas de destilação com pratos ou recheios. No entanto, pouca atenção tem sido dada para colunas com vazios. O presente trabalho apresenta uma metodologia para o estudo da transferência de calor e massa em colunas de destilação com distribuidores do tipo sprays em processos de destilação, considerando uma abordagem Euleriana-Lagrangeana. Neste tipo de abordagem, as gotas são modeladas individualmente a partir de trajetórias na fase contínua. O modelo k-e ?foi empregado para predizer o comportamento da fase vapor. O equilíbrio termodinâmico é modelado considerando a lei de Raoult. Utilizando conjuntamente conhecimentos de Termodinâmica, Processos de Separação (destilação) e de Fluidodinâmica Computacional (CFD), um modelo matemático é proposto. A aplicação das escalas características de tempo como metodologia de análise e compreensão dos resultados é proposta. / Abstract: The understanding of fluid dynamic phenomena in industrial equipments are extremely important for new projects and their optimization. Distillation columns are being used even before the XX century. Since that time many advances have happened. The literature presents different studies as far as plates or packed columns are concerned, but few attention have been done in empty section. The present study shows a methodology to study the heat and mass transfer in empty sections of distillation columns considering the Eulerian-Lagrangian approach. The Lagrangian tracking for the liquid droplets was used to predict spray distribution. The model takes into account the influence of the liquid flow within the vapor phase flow. The k-e turbulence model was applied to predict the vapor behavior. The thermodynamic equilibrium considered the Raoult's Law. Considering the different areas as thermodynamics, Separation Process (distillation) and the Computational Fluid Dynamics (CFD), a mathematical model is proposed. The time scales methodology is important as a feature to analyze and understanding the results. / Doutorado / Desenvolvimento de Processos Químicos / Doutor em Engenharia Química

Orientador: Julian Martínez / Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia de Alimentos / Made available in DSpace on 2018-08-21T22:31:55Z (GMT). No. of bitstreams: 1 Silva_LuizPauloSales_M.pdf: 5215588 bytes, checksum: cb283a60a47e8463b3ab4b9e87526e92 (MD5) Previous issue date: 2013 / Resumo: Este projeto utilizou a tecnologia supercrítica no processo de extração, usando o dióxido de carbono como solvente. Esta tecnologia apresenta-se como uma alternativa para processos que usam solventes orgânicos tóxicos, além de respeitar os princípios da química verde, pautada nos conceitos de desenvolvimento sustentável. Com o objetivo de compreender melhor todos os mecanismos fenomenológicos envolvidos neste processo, bem como poder controlá-los visando à sua otimização, a modelagem matemática é uma opção bastante atrativa. As substâncias capsaicinoides, presente em grandes quantidades em várias espécies de pimenta, responsáveis pela sensação pungente e que, no entanto, possuem comprovadas ações benéficas ao organismo, foram definidas como substâncias alvo. Desta forma, para os estudos dos fenômenos de transferência de massa, três espécies de pimentas, Capsicum frutescens, Capsicum chinense, Capsicum boccatum, foram analisadas quanto aos seus teores de capsaicinoides. A espécie Capsicum frutescens apresentou o maior concentração destas substâncias e foi escolhida como a matéria-prima para etapas posteriores. Um planejamento experimental de extração supercrítica desta espécie de pimenta foi realizado variando a pressão e a temperatura. A partir destas extrações foi observado que a condição de extração de 15MPa e 313 K apresentou a melhor combinação entre rendimento e concentração de capsaicina. Cinéticas de extração realizadas nesta condição, porém variando a vazão de solvente, o diâmetro de partícula e o volume de extração, foram estudadas. Maiores taxas de extração foram obtidas nas maiores vazões e nos menores diâmetros de partícula e volume de leito de extração devido à maior importância do fenômeno convectivo. O modelo de partículas intactas e rompidas de Sovová (1994) foi usado para ajustar os dados experimentais das curvas e obter os parâmetros do modelo. Três tipos de modelagem foram realizadas: ajuste de cada curva individualmente; ajuste simultâneo gerando um conjunto de parâmetros para os pares das duplicatas; ajuste múltiplo que ajustou um valor único do parâmetro XK para cada conjunto de curvas com o mesmo diâmetro de partícula. Com os ajustes foi possível calcular o coeficiente convectivo de transferência de massa de cada condição e o respectivo valor do número de Sherwood experimental. Com os dados experimentais de cada condição foram calculados os números adimensionais de Reynolds e Schimdt. Com estes novos conjuntos de dados de números adimensionais foram realizadas novas modelagens matemáticas e, através destas, propostas novas correlações. Estas novas equações foram baseadas tanto na existência única da convecção forçada quanto na existência, mesmo que pouco significativa, da convecção natural. A eficácia destes novos modelos foi avaliada com a comparação dos coeficientes de transferência de massa convectivos calculados com aqueles ajustados das curvas experimentais, apresentando, em geral, boa similaridade. Por fim, uma extração em escala piloto realizada deu indícios, através dos resultados calculados das novas correlações, que a convecção natural nestas escalas não pode ser desprezada / Abstract: This workt used the supercritical technology in the process of extraction, using carbon dioxide as solvent. This technology is based on concepts of sustainable development and respects the principals of green chemistry. It appears as an alternative to processes that use toxic organic solvents. Mathematical modeling is an interesting tool to understand better all phenomenological mechanisms involved in this process and to be able to control and optimize them. Capsaicinoids, which are responsible for the pungent sensation caused by peppers, have well-known beneficial properties for human organism. These substances are present in large quantities in several pepper species. Capsaicinoids were chosen as target substances for the study of mass transfer phenomena. Capsaicinoid contents were analyzed for three pepper species: Capsicum frutescens, Capsicum chinense, Capsicum boccatum. The species Capsicum frutescens showed higher concentration of these substances and was chosen as raw material for further steps. An experimental design of supercritical extraction from this pepper species was carried out varying pressure and temperature. These extractions showed that the extraction condition of 15 MPa and 313 K gave the best combination of yield and capsaicin concentration. Therefore, extraction kinetics was studied under this condition, varying solvent flow rate, particle diameter and extraction bed volume. The highest extraction rates were obtained for high solvent flow rates, low particle diameters and low extraction bed volume. This can be explained by the greater importance of the convective phenomenon under these conditions. The Sovová¿s model (1994) for intact and broken particles was used to fit experimental data to curves and obtain model parameters. Three types of mathematical modeling were established: (1) fitting of each individual curve, (2) simultaneous fitting creating a set of parameters for pairs of duplicates, (3) multiple fitting that adjsuts a single value for the parameter XK for each set of curves with the same particle diameter. These fits allowed calculating the convective mass transfer coefficient for each condition and the respective values of the experimental Sherwood number. Experimental data was used to calculate dimensionless numbers of Reynolds and Schmidt for of each condition. Other mathematical modelings were performed using these new data sets of dimensionless numbers, which allowed proposing new correlations. These new equations were based on the existence of forced and free convection, even though the importance of the second phenomenon was considered small. The efficiency of these new models was assessed with a comparison of calculated convective mass transfer coefficients to those fitted from experimental curves. A good coherence was found between both. Finally, a pilot scale extraction was performed and the results obtained using the proposed correlations suggested that free convection cannot be neglected at such scales / Mestrado / Engenharia de Alimentos / Mestra em Engenharia de Alimentos

The scope of the present thesis is the development of a Computational Fluid Dynamics model to describe the multiphase flow inside a structured packing absorber for postcombustion carbon capture. The work focuses mainly on two flow characteristics: the interface tracking and the reactive mass transfer between the gas and the liquid. The interface tracking brings the possibility of studying the liquid maldistribution phenomenon, which strongly affects the mass transfer performance. The development of a user-defined function to account for the reactive mass transfer between phases constitutes the second major concept considered in this thesis. Numerical models found in the literature are divided into three scales due to the current computational capacity: small-, meso- and large-scale. Small-scale has usually dealt with interface tracking in 2D computational domains. Meso-scale has usually been considered to assess the dry pressure drop performance of the packing (considering only the gas phase). Large-scale studies the liquid distribution over the whole column assuming that the structured packing behaves as a porous medium. This thesis focuses on small- and meso-scale. The novelty of this work lies in expanding the capabilities of the aforementioned scales. At small-scale, the interfacial tracking is implemented in a 3D domain, instead of 2D. The user-defined function that describes the reactive mass transfer of CO2 into the aqueous MEA solution is also included to assess the influence of the liquid maldistribution on the mass transfer performance. At the meso-scale, the Volume of Fluid method for interface tracking is included (instead of only the gas phase) to describe flow characteristics such as the liquid hold-up, the interfacial area and the mass transfer. At the theoretical level, this model presents the particularity of including both a mass and a momentum source term in the conservation equations. A comprehensive mathematical development shows the influence of the mass source terms on the momentum equation.

Dans les centrales nucléaires à eau sous pression, les Résines Echangeuses d'Ions (REI) sont utilisées dans les circuits d'épuration. Dans le cadre de cette thèse, une étude qualitative a été réalisée afin de prédire les tendances du comportement d'une REI dans le cadre de son utilisation en condition centrale nucléaire. Fort des résultats de cette étude, nous avons cherché à caractériser quantitativement le comportement des REI en colonne. Pour cela, nous avons utilisé des solutions analytiques mais ces dernières se sont révélées valables uniquement dans des cas particuliers. Afin de trouver une solution générale, nous nous sommes donc tournés vers une solution numérique : OPTIPUR. En vue de la valider et aussi de mieux comprendre la cinétique en colonne, nous avons réalisé une étude expérimentale. Cette dernière vise à caractériser la résistance au transfert de masse en colonne et à mener une étude de sensibilité sur les paramètres influençant ce phénomène. Cette étude repose sur la détermination de la fuite ionique cinétique, correspondant à une certaine concentration de polluant présente en sortie de colonne en début d'expérience. Pour cela, nous avons testé l'influence de nombreux paramètres sur la fuite ionique cinétique. Nous avons ainsi vu l'importance de la vitesse de filtre et donc des conditions hydrodynamiques sur la fuite ionique cinétique. Ces nombreux résultats de fuite cinétique, ont été modélisés à l'aide de la corrélation empirique de Dwivedi & Upadhyay afin de tester sa validité. Par la suite, nous avons simulé nos résultats de fuite ionique cinétique avec deux options du logiciel OPTIPUR : option Mass Transfer Coefficient (MTC) et Nernst-Planck (NP). Ces dernières encadrent les résultats expérimentaux. L'option MTC d'OPTIPUR donne des résultats inférieurs alors que ceux obtenus avec l'option NP sont supérieurs aux résultats expérimentaux. Nous avons vu que dans le cadre d'un échange ternaire, seule l'option NP est valide. Nous avons proposé des solutions pour mieux caler les résultats obtenus numériquement. D'autres simulations ont été réalisées afin de vérifier les capacités de prédiction de l'appareil pour des expériences plus longues (allant jusqu'à la saturation de la REI). Les tendances observées étaient celles attendues. L'outil OPTIPUR est un outil précis et robuste pour étudier la cinétique en colonne. / In pressurized water reactor, ion exchange resins (IER) are used in systems purification. In this thesis, a qualitative study has been performed to predict the behavior of IER while used in nuclear plants conditions. Then, we searched to characterize the IER behavior in column through a quantitative study using analytical solutions. But these solutions worked only for particular cases. In order to find a general solution, we used a new numerical solution: OPTIPUR. To validate this general solution and get a better understanding of the kinetic in column, we performed an experimental study to characterize the resistance to mass transfer in column and to study the sensibility on the parameters influencing this phenomenon. This study is based on the characterization of the initial leakage (initial pollutant concentration at the column outlet). We tested numerous parameters on the initial leakage. We understood the importance of the superficial velocity and indeed of the hydrodynamic conditions on the initial leakage. These numerous results about initial leakage were modeled with an empirical correlation of Dwivedi and Upadhyay in order to validate it. Then, we modeled our results with the two options of OPTIPUR software: option Mass Transfer Coefficient (MTC) and Nernst-Planck (NP). These options encircle experimental results. The MTC option of OPTIPUR gives lower results while those obtained with the NP option are higher than the experimental results. We observed also that only the NP option was valid for a ternary exchange. We proposed solutions to get a better fit with the results obtained with OPTIPUR. We performed other simulations to check the prediction abilities of the software for longer experiments (until the IER saturation). The tendencies were those expected. The OPTIPUR software showed is accuracy and robustness to study column kinetic.

Les transferts de chaleur et de masse sont deux phénomènes physiques à la base de nombreux systèmes thermiques employés dans des secteurs variés tels que l'industrie, le bâtiment ou encore les énergies renouvelables. Les présents travaux de recherche envisagent différentes méthodologies d'optimisation de configurations assurant le transfert de flux de chaleur, couplé ou non à un écoulement fluide, au sens topologique du terme. Les équations aux dérivées partielles décrivant les phénomènes physiques sont discrétisées avec la méthode des volumes finis. La première partie du manuscrit examine successivement trois classes différentes de méthodes: la théorie constructale, les automates cellulaires et les méthodes par pénalisation. Le même cas académique, portant sur le refroidissement d'un volume fini générant de la chaleur, est résolu au moyen de ces trois méthodes, ce qui permet ainsi de comparer les performances de chaque algorithme. Cette comparaison démontre l'ascendant des méthodes par pénalisation sur les deux premiers types, tant structurellement que quantitativement, et permet également d'établir des solutions basées sur des compromis dans le cadre d'optimisations multi-objectifs. Par conséquent, la seconde partie envisage l'application de cette approche à des configurations réalisant des transferts de chaleur conducto-convectifs en régime laminaire. L'utilisation de paramètres de pénalisation en conjonction avec les volumes finis requiert une régularisation de la dissipation visqueuse le long de l'interface fluide/solide. Une approche bi-objectif est développée visant à minimiser la puissance dissipée par le fluide, tout en maximisant l'énergie thermique récupérée sur le système. Les solutions obtenues adoptent des configurations non-triviales qui sont divisibles en quatre classes topologiques différentes. La thèse ouvre ainsi un nouveau champ d'investigation pour l'optimisation d'écoulements couplés à la problématique du transport de chaleur. / Heat and mass transfers are two physical phenomena at the base of many thermal systems involved in various fields, such as industries, buildings or renewable energies. The present researches tackle different optimization methodologies of structures subject to heat transfers, coupled with a fluid flow or not, in the topological sense of the term. The partial differential equations describing the physical phenomena are discretized thanks to the finite volume method. The first part of the thesis successively studies three different classes of approaches: constructal theory, cellular automaton, and the solid isotropic material with penalization method. The same academic case, aiming at the optimal cooling of a finite-size volume generating heat, is tackled by means of these three methods, allowing the comparison of the performances of each algorithm. This comparison shows that the method based on the material penalization performs better than the first two approaches, structurally and quantitatively, and also establishes solutions based on a trade-off in the frame multi-objective optimization. Consequently, the second part applies this method to configurations subject to heat and mass transfers with laminar flows. The use of penalization parameters in conjunction with the finite volume method requires a regularization of the viscous dissipation along the solid/fluid interfaces. A bi-objective approach is implemented in order to minimize the total power dissipated by the fluid, while maximizing the thermal energy recovered from the system. The solutions show non-trivial configurations that can be categorized in four different topological classes. The present researches open a new investigation field for fluid flows coupled with the problem of heat transport.

Beim Stoffübergang einer grenzflächenaktiven Substanz in einem flüssigen Zweiphasensystem kann solutale Marangoni-Instabilität einsetzen. Die weitere nichtlineare Entwicklung der Marangoni-Instabilität geht mit einer enormen Vielfalt von Strömungsmustern einher. In der Literatur wird dieser Aspekt häufig unter dem unscharfen Ausdruck „Grenzflächenturbulenz“ zusammengefasst. Diese Arbeit stellt heraus, dass drei grundlegende Strukturformen existieren: Rollzellen, Relaxationsoszillationen und Relaxationsoszillationswellen. Ein großer Teil der Komplexität der Strömungsmuster ist dadurch begründet, dass die Grundstrukturen unterschiedliche Hierarchieebenen aufweisen. Es werden die zugrunde liegenden Bedingungen für das Auftreten der jeweiligen Strukturtypen, ihre transiente Natur und die Bildung der hierarchischen Strömungsmuster untersucht. Des Weiteren betrachtet diese Arbeit die Wechselwirkungen mit Dichteeffekten, die sowohl die Charakteristik der Strukturen als auch ihre zeitliche Entwicklung beeinflussen.

Worldwide demand for energy is increasing rapidly, partly driven by dramatic economic growth in developing countries. This growth has sparked concerns over the finite availability of fossil fuels and the impact of their combustion on climate change. Consequently, many recent research efforts have been devoted to the development of renewable fuels and sustainable energy systems. Interest in liquid biofuels, such as ethanol, has been particularly high because these fuels fit into the conventional infrastructure for the transportation sector. Ethanol is a renewable fuel produced through the anaerobic fermentation of sugars obtained from biomass. However, the relatively high energy demand of its production process is a major factor limiting the usefulness of ethanol as a fuel. Due to the dilute nature of the fermentation product stream and the presence of the ethanol-water azeotrope, the separation processes currently used to recover anhydrous ethanol are particularly inefficient. In fact, the ethanol separation processes account for a large fraction of the total process energy demand. In the conventional ethanol separation process, ethanol is recovered using several distillation steps combined with a dehydration process. In this dissertation, a new hybrid pervaporation-distillation system, named Membrane Dephlegmation, was proposed and investigated for use in ethanol recovery. In this process, countercurrent vapour-liquid contacting is carried out on the surface of a pervaporation membrane, leading to a combination of distillation and pervaporation effects. It was intended that this new process would lead to improved economics and energy efficiency for the entire ethanol production process. The Membrane Dephlegmation process was investigated using both numerical and experimental techniques. Multiphase Computational Fluid Dynamics (CFD) was used to study vapour-liquid contacting behaviour in narrow channels and to estimate heat and mass transfer rates. Results from the CFD studies were incorporated into a simplified design model and the Membrane Dephlegmation process was studied numerically. The results indicated that the Membrane Dephlegmation process was more efficient than simple distillation and that the ethanol-water azeotrope could be broken. Subsequently, a pilot-scale experimental system was constructed using commercially available, hydrophilic NaA zeolite membranes. Results obtained from the experimental system confirmed the accuracy of the simulations.

Lorsqu'un verre libère trop rapidement le gaz qu'il contient, la disparition des arômes véhiculés par la bulle est soudaine et irrémédiable. Ainsi, la connaissance des mécanismes physiques à l'origine de la libération du CO2 dans un verre de champagne doit permettre de mener à une forme de verre propice à un épanouissement des arômes et à une effervescence durable. La contribution des processus convectifs de brassage du vin sur la désorption du CO2 demeure assez mal connue. Pour approfondir notre compréhension de ces aspects, nous analysons les processus de libération du dioxyde de carbone au cours d'une dégustation. La démarche adoptée dans cette thèse consiste à étudier les mécanismes de transferts de masse (nucléation, diffusion, évaporation) entre les phases liquide et gazeuse. Par le biais de méthodes expérimentales (tomographie laser, PIV, thermographie IR) et numérique (code CFD), nous réalisons le suivi de l'évolution instationnaire de l'écoulement diphasique dans un verre de champagne. Nous mettons en évidence un écoulement complexe, composé de multiples instabilités hydrodynamiques. Les résultats montrent également que la libération du CO2 dépend intimement de la forme du verre et de la température de service du vin. En mettant en évidence le rôle de la forme du verre sur la libération du CO2, ces travaux ont permis d'améliorer la connaissance des paramètres qui affectent ou favorisent l'effervescence au cours d'une dégustation. Ces conclusions devront être confirmées par un panel de dégustation pour montrer que la libération des arômes est étroitement liée à la forme du verre qui reçoit le vin. / When a glass releases too quickly his dissolved gas, the loss of the aromas carried by the bubbles is sudden and irreversible. So, the knowledge of the physical mechanisms at the origin of CO2 release in a glass of champagne should lead to a glass shape conducive to aromas development and at a sustainable effervescence.The contribution of mechanisms of admixture of the wine on the CO2 desorption in a glass of champagne remains still unknown. To deepen our understanding of these aspects, we analyze the carbon dioxide release processes in tasting conditions. The approach adopted in this thesis consists in studying the mass transfer mechanisms (nucleation, diffusion, evaporation) between the liquid and gaseous phase. By experimental (laser tomography, PIV, IR thermography) and numerical ways (CFD), we follow the unsteady evolution of the two phase flow in a champagne glass. We highlight a complex flow, composed of multiple hydrodynamic instabilities. The results show also that the CO2 release strongly depends on the glass shape and on the wine temperature.By highlighting the glass shape on the carbon dioxide release, these works allowed to improve the parameters knowledge which affect or favor the effervescence process in tasting conditions. These conclusions must be confirmed by a tasting panel to show that the aromas release is closely related to the glass shape.