Made available in DSpace on 2015-05-14T13:21:12Z (GMT). No. of bitstreams: 1 arquivototal.pdf: 2114816 bytes, checksum: 3cd21721a8386d2947be773c9c59d4a8 (MD5) Previous issue date: 2010-09-10 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPES / The efficiency of an engine during the combustion process depends, among other factors, on the viscosity of the fuel. A high viscosity decreases the fuel volatilization resulting in an incomplete combustion. The biodiesel added to diesel fuel leads to improvements in their characteristics with respect to combustion gases emissions to the atmosphere. Sudden drops in temperature are responsible for increasing the viscosity and crystallization of fatty esters of biodiesel components causing damage in the engine. This concerns to both, biodiesel and mineral diesel, because the late is composed by saturated hydrocarbons which tend to form crystals at low temperature. To minimize this limitation biodiesel from fish oil blended with diesel, can improve the fluid dynamic properties of the fuel in different conditions of evaluation. GC-MS analysis revealed the presence of 31.57% of methyl linoleate as the major component of biodiesel from fish. The infrared spectra indicated the efficacy of transesterification reaction to obtain the methyl ester. From the viscosity curves as a function of temperature, was observed that the binary mixtures shown a similar profile to that of diesel, a sharp reduction in viscosity with increasing temperature in the range 5-15 ° C, this event is evidenced in the TMDSC cooling curves in the melting process followed by the formation of crystals, melting temperature and freezing, which were correlated with flow techniques. The gradual addition of biodiesel do not cause significant changes in the fluidity and fog points. To pure biodiesel was observed a sharp decrease of temperature, explained by the presence of (Z)-unsaturated esters in its composition, which obstruct the packing between molecules. Increasing the concentration of biodiesel in the diesel matrix gives a slight increase in consumption and viscosity of the fuel remaining so within the limits allowed. In conclusion fish oil biodiesel/diesel blends are a excellent alternative for using in diesel cycle engines. / A eficiência de um motor no processo de combustão depende, dentre outros fatores, da viscosidade do combustível. Uma alta viscosidade diminui a volatilização implicando em uma combustão incompleta. O biodiesel adicionado ao diesel mineral induz em melhorias nas suas características no que diz respeito às emissões dos gases resultantes da combustão para a atmosfera. Quedas bruscas na temperatura ambiente são responsáveis pelo aumento da viscosidade e pela cristalização de ésteres graxos componentes do biodiesel interferindo no funcionamento do motor. Este problema não é exclusivo do biocombustível, pois o diesel convencional, composto por hidrocarbonetos saturados, em baixas temperaturas tendem a formar cristais. Para minimizar essa limitação o biodiesel oriundo de óleo peixe em misturas com o diesel, pode melhorar as propriedades fluidodinâmicas do combustível em diferentes condições de avaliação. As análises de CG-EM evidenciaram a presença de 31,57% de linoleato de metila, como componente majoritário do biodiesel de peixe. Os espectros na região do infravermelho indicaram a eficácia da reação de transesterificação e obtenção do éster através da rota metílica na presença no catalisador básico (KOH). A partir das curvas de viscosidade em função da temperatura, observou-se que as misturas binárias apresentam perfil semelhante ao do diesel, com redução brusca na viscosidade com o aumento da temperatura na faixa de 5 a 15 ºC. Esse evento é evidenciado nas curvas de resfriamento TMDSC no processo de fusão seguido de formação de cristais, temperatura de fusão e congelamento, que foram correlacionadas com as técnicas de fluxo. A adição gradual de biodiesel não provocou alterações significativas nos pontos de fluidez e névoa. Para o biodiesel puro observou-se acentuada diminuição da temperatura, e isso é explicado pela presença de ésteres insaturados em geometria Z em sua composição, o que dificulta o empacotamento entre as moléculas. O aumento da concentração do éster na matriz do diesel confere um aumento no consumo e na viscosidade do combustível, permanecendo dentro dos limites permitidos (ANP). A partir dos resultados, conclui-se que o biodiesel de óleo de peixe e as misturas diesel/biodiesel são uma alternativa para o uso em motores do ciclo Diesel.

Crop production provides the food and fiber necessary to sustain the world\'s population. Effective weed management is critical to maintaining agricultural productivity. Intensive or continuous use of herbicides that act on the same target site, or are detoxified by similar processes within crops and target weeds frequently results in the development of weeds resistant to a specific herbicide or class of herbicides. Weed resistance due to the extensive use of glyphosate in glyphosate tolerant crop systems has become one of the most serious issues facing agriculture today. Thus PPO-inhibitor herbicides are an alternative mechanism of action that have the potential to mitigate the development of resistant weeds in weed control systems where crop tolerance is sufficient to allow them to be effectively deployed. While there are few reports of weed resistance to PPO-inhibitor herbicides it has not developed to the extent that it is a commercial problem for growers. When used at recommended doses, they typically have favorable regulatory profiles. Furthermore, most of them are highly compatible with no-tillage agriculture. However, PPO-inhibitor herbicides are typically more active on dicots than monocots. This thesis provides information with regards to effectiveness of certain binary mixtures of PPO herbicides as weed control agents. The mixtures showed synergistic effects and could control monocots as Echinochloa crus-galli and volunteer corn besides control the dicots species. Regarding the compounds studied, trifludimoxazin and flumioxazin required less amount of compound to inhibit 50% of PPO2 activity in all plants species tested, while sulfentrazone and saflufenacil, one of the best mixtures in the field, showed that needed bigger concentrations to inhibit 50% of the PPO2 compared to other compounds evaluated.The absorption and translocation of these compounds individually or in mixtures, showed that as single compounds, the absorption was slower in maize than E. crus-galli and there was no difference among the herbicides except trifludimoxazin, that was significantly lower than the other compounds. Saflufenacil was the herbicide that showed the best translocation out of treated leaf point, while trifludimoxazin has not shown any translocation out of leaf treated. In mixtures, the compounds showed some differences in absorption and translocation, which it was variable according to species studied. Some traits of PPO-tolerant were also evaluated in Arabidopsis thaliana which indicates potential traits to be developed in crops of interest. / Agricultura é responsável por fornecer alimento e fibras necessárias para sustentar a população mundial. Controle de plantas daninhas é essencial para obter uma boa produtividade. O uso intensivo de herbicidas que age no mesmo sitio de ação ou são detoxificados por processos similares pelas plantas daninhas resulta geralmente no desenvolvimento de plantas daninhas resistentes a um herbicida específico ou à uma classe de herbicidas. A resistência de plantas daninhas devido ao uso de culturas tolerantes à glifosato tem se tornado um dos mais sérios problemas na agricultura. Inibidores da PPO pode ser uma ferramenta para mitigar o desenvolvimento de plantas daninhas resistentes. Há poucos relatos de plantas daninhas resistentes a este mecanismo de ação. Quando aplicados na dose recomendada, apresentam perfil toxicológico favorável e além disso, a maioria dos herbicidas deste grupo são compatíveis com plantio direto. No entanto, são mais eficientes em dicotiledôneas do que em monocotiledôneas. O objetivo dessa tese foi fornecer informações em relação a associação binária de herbicidas inibidores da PPO no controle de plantas daninhas. As associações mostraram efeito sinérgico no controle de Echinochloa crus-galli e milho voluntário, além do controle de dicotiledôneas. Avaliou-se também a atividade de alguns inibidores da PPO na inibição de 50% da enzima PPO2 e observou-se que para inibir 50% da PPO2 necessitou de menor quantidade de trifludimoxazin e flumioxazin em todas as plantas testadas, enquanto que sulfentrazone e saflufenacil, que associados apresentaram a melhor eficácia nos ensaios de campo, mostraram que precisar de maiores concentrações para inibir a PPO2 comparada aos outros produtos. A absorção e translocação destes produtos, isolados ou em mistura, mostraram que a absorção foi mais lenta em milho do que em E. crus-galli. Os herbicidas apresentaram comportamentos similares, sendo absorvidos quase 95% até 72 horas após aplicação, com exceção do trifludimoxazin, que foi significativamente mais lento que os outros. Saflufenacil foi o herbicida que apresentou melhor translocação na folha aplicada, enquanto trifludimoxazin não apresentou nenhuma translocação. Em relação às associações, os produtos mostraram diferenças na absorção e translocação, variando conforme as plantas daninhas estudadas. Alguns eventos tolerantes a inibidores da PPO foram avaliados em Arabidopsis thaliana e indicaram como potenciais eventos para ser desenvolvidos nas culturas de interesse.

Interest in non-traditional fuel sources, carbon dioxide sequestration, and cleaner combustion has brought attention on gasification to supplement fossil fueled energy, particularly by a fluidized bed. Developing tools and methods to predict operation and performance of gasifiers will lead to more efficient gasifier designs. This research investigates bed fluidization and particle decomposition for fluidized materials. Experimental methods were developed to model gravimetric and energetic response of thermally decomposing materials. Gravimetric, heat flow, and specific heat data were obtained from a simultaneous thermogravimetric analyzer (DSC/TGA). A method was developed to combine data in an energy balance and determine an optimized heat of decomposition value. This method was effective for modeling simple reactions but not for complex decomposition. Advanced method was developed to model mass loss using kinetic reactions. Kinetic models were expanded to multiple reactions, and an approach was developed to identify suitable multiple reaction mechanisms. A refinement method for improving the fit of kinetic parameters was developed. Multiple reactions were combined with the energy balance, and heats of decomposition determined for each reaction. From this research, this methodology can be extended to describe more complex thermal decomposition. Effects of particle density and diameter on the minimum fluidization velocity were investigated, and results compared to empirical models. Effects of bed mass on pressure drop through fluidized beds were studied. A method was developed to predict hydrodynamic response of binary beds from the response of each particle type and mass. Resulting pressure drops of binary mixtures resembled behavior superposition for individual particles. / Master of Science

Activated carbon is an adsorbent that is commonly used for removing organic contaminants from air due to its abundant pores and large internal surface area. This thesis is concerned with the static adsorption capacity and adsorption kinetics for single and binary organic compounds on different types of activated carbon. These are important parameters for the design of filters and for the estimation of filter service life. Existing predictive models for adsorption capacity and kinetics are based on fundamental “hard” knowledge of adsorption mechanisms. These models have several drawbacks, especially in complex situations, and extensive experimental data are often needed as inputs. In this work we present a systematic approach that can contribute to the further development of predictive models, especially for complex situations. The approach is based on Multivariate Data Analysis (MVDA), which is ideally suited for the development of soft models without incorporating any assumptions about the mathematical form or fundamental physical principles involved. Adsorption capacity and adsorption kinetics depend on the properties of the carbon and the adsorbate as well as experimental conditions. Therefore, to make general statements regarding adsorption capacity and kinetics it is important for the resulting models to be representative of the conditions they will simulate. Accordingly, the first step in the investigations underlying this thesis was to select a minimum number of representative and chemically diverse organic compounds. The next steps were to study the dependence of the derived affinity coefficient, β, in the Dubinin-Radushkevich equation on properties of organic compounds and to establish a new, improved model. This new model demonstrates the importance of adding descriptors for the specific interaction with the carbon surface to the size and shape descriptors. The adsorption capacities of the same eight organic compounds at low relative pressures were correlated with compound properties. It was found that different compound properties are important in the various stages of adsorption, reflecting the fact that different mechanisms are involved. Ideal adsorbed solution theory (IAST) in combination with the Freundlich equation was developed to predict the adsorption capacities of binary organic compound mixtures. A new model was proposed for predicting the rate coefficient of the Wheeler-Jonas equation which is valid for breakthrough ratios up to 20%. Finally, it was shown that the Wheeler-Jonas equation can be adapted to describe the breakthrough curves of binary mixtures. New models were proposed for predicting its parameters, the adsorption rate coefficients, and the adsorption capacities for both components of the binary mixture. Thus, multivariate data analysis can not only be used to assist in the understanding of adsorption mechanisms, but also contribute to the development of predictive models of adsorption capacity and breakthrough time for single and binary organic compounds.

Neste trabalho, sondas solvatocrômicas foram empregadas no estudo de solventes puros, misturas aquosas de solventes próticos e apróticos, líquidos iônicos e suas misturas aquosas. As sondas estudadas foram agrupadas em duas séries, cujas mudanças relevantes foram: (i) série RPMBr2: R de metila a 1-octila permitiu a variação da hidrofobicidade da sonda enquanto o pKa se manteve constante; (ii) série de merocianinas derivadas de piridina, quinolina e acridina. Isso resultou em sondas de hidrofobicidades diferentes com valores parecidos de pKa. Desta forma foi possível isolar os efeitos sobre solvatação provocados pela hidrofobicidade das sondas. As duas séries de sondas mostraram comportamentos solvatocrômicos diferentes. Uma equação modificada de Taft-Kamlet-Abboud permitiu as quantificações individuais de cada propriedade do solvente, tais como acidez, dipolaridade/polarizabilidade e hidrofobicidade para a resposta de cada sonda. O modelo de solvatação preferencial que considera explicitamente a presença de três espécies na mistura binária de solvente foi aplicado, este considera que a água, o solvente orgânico e a espécie solvente orgânico-água competem pela camada de solvatação da sonda. Os resultados deste tratamento ajudaram no entendimento das forças atuantes na solvatação, especialmente com relação aos efeitos das propriedades de ambos a sonda e o solvente, e do aumento da temperatura. Estudos preliminares de misturas aquosas de líquidos iônicos mostraram as semelhanças e as diferenças entre a solvatação por estas misturas \"verdes\" e a por misturas aquosas de álcoois. Uma aplicação do solvatocromismo para o entendimento de un fenômeno físco-químico foi apresentada: os resultados da aplicação do modelo de solvatação preferencial de sondas em misturas aquosas de tetrametiluréia foram usados para explicar o fenômeno de gelificação de proteína neste mesmo sistema de solventes. / In the present work, solvatochromic probes were employed in the study of pure solvents, binary mixtures of water with protic and aprotic solvents, ionic liquids and their aqueous binary mixtures The probes studied are classified in two series: (i) RPMBr2; where R = methyl to 1-octyl allowed increasing the hydrophobicity while maintaining the pKa constant. (ii) The second series involved derivatives of pyridine, quinoline and acridine, this allowed increasing probe hydrophobicity, while maintaining similar pKa. The two series of probes showed different solvatochromic behaviors both in pure solvents and binary solvent mixtures. A modified equation of Taft-Kamlet-Abboud allowed quantification of each solvent property, including acidity, dipolarity/polarizability and hydrophobicity to the response of each probe. The preferential solvation model which explicitly considers the presence of three species was employed; it considers the competition of water, organic solvent and the complex water-organic solvent in the probe solvation shell. The results shed light on the interactions that affect solvation, including temperature-induced desolvation. Preliminary results on aqueous ionic liquids showed the similarities and difference between solvation by these \"green\" mixtures and those of aqueous alcohols. An application of solvatochromism for understanding a physical-chemical phenomenon was presented: the results of application of preferential solvation model of probes in aqueous tetramethylurea mixtures was used to explain the gelation of the protein lysozyme in this same solvent system.

Diese Arbeit zeigt die Verwendung ueberkritischer Fluide als analytisches Werkzeug fuer den Transport einer Gruppe nichtfluechtiger Molekuele, naemlich Nucleobasen, in die Gasphase. Das am haeufigsten verwendete ueberkritische Fluid ist Kohlendioxid, welches sich jedoch als zu ineffizient bei der Aufloesung von Nucleobasen herausstellte. Deshalb wurde ein Gemisch aus Ethylen mit Ethanol als Cosolvens als ueberkritisches Loesungsmittel verwendet. Für die Erkennung des kritischen Punktes reiner Fluide oder verduennter Fluidmischungen wurde eine neue Methode entwickelt. Die Verschiebung des kritischen Punktes von Ethylen durch Zugabe von Ethanol wurde experimentell ermittelt und mit der Zustandsgleichung von Soave Redlich Kwong in Beziehung gesetzt. Fuer einen Molenbruch des Cosolvens Ethanol von 0.054 erhoeht sich die kritische Temperatur nur um 5,5 C, wohingegen die Theorie eine Erhoehung um 10 C vorhersagt. Fuenf biologisch relevante Nucleobasen wurden mit Hilfe von 3% Ethanol als Cosolvens in ueberkritischem Ethylen geloest. Die Zusammensetzung des Ueberschall-Molekularstrahles der expandierten Loesung wurde mit einem Quadrupol-Massenspektrometer quantitativ analysiert. Das Signalverhaeltnis der Nucleobasen zu Ethylen lag in der Groessenordnung von 10^-4 bis 10^-5. Diese Nucleobasen wurden auch auf Oberflaechen abgeschieden, sowohl durch Hochdruckexpansion der ueberkritischen Loesungen, als auch durch Verdampfung von alkoholischen Loesungen (nach der ’Drop Casting’ Methode). Die dabei entstehenden Morphologien wurden ex-situ mittels Rasterkraftmikroskopie untersucht. Die Ursachen dieser Unterschiede werden anhand der relevanten Nukleationsmechanismen diskutiert. / This work highlights the use of supercritical fluids (SCF) as an analytical tool for the transfer of a group of non-volatile molecules, namely nucleobases, into the gas phase. The most commonly used SCF carbon dioxide was found inefficient in dissolving the nucleobases. Therefore, a mixture of ethylene (p_c = 50.6 bar and T_c = 9.35 C) with a cosolvent was used as the SC solvent. A new bracketing method was developed for detecting the critical point (CP) of pure fluids and diluted mixtures of fluids. The shift in CP of ethylene on addition of ethanol was determined and related to theoretical calculations by using the Soave Redlich Kwong equation of state. Comparing the experimental results to theoretical methods for calculating the CP showed large deviations. The critical temperature shifted by only 5.5 C when the mole fraction of the cosolvent i.e. ethanol was 0.054. Five biologically relevant were dissolved in SC ethylene using 3% of ethanol as cosolvent. The supersonic molecular beam composition of the expanded solution was analyzed quantitatively using a quadrupole mass spectrometer and the ratio of the nucleobases to ethylene in the beam was found to be of the order of 10^-4 to 10^-5. Surface deposition of the nucleobases through SCF solutions was carried out and the morphology was recorded using Atomic Force Microscopy. Remarkable differences were observed while comparing the morphology obtained after deposition using rapid expansion of supercritical solutions (RESS) and drop casting method. These differences are discussed in terms of diffusion, rate of evaporation of the solvent, degree of supersaturation, and the nucleation process.

Neste trabalho, sondas solvatocrômicas foram empregadas no estudo de solventes puros, misturas aquosas de solventes próticos e apróticos, líquidos iônicos e suas misturas aquosas. As sondas estudadas foram agrupadas em duas séries, cujas mudanças relevantes foram: (i) série RPMBr2: R de metila a 1-octila permitiu a variação da hidrofobicidade da sonda enquanto o pKa se manteve constante; (ii) série de merocianinas derivadas de piridina, quinolina e acridina. Isso resultou em sondas de hidrofobicidades diferentes com valores parecidos de pKa. Desta forma foi possível isolar os efeitos sobre solvatação provocados pela hidrofobicidade das sondas. As duas séries de sondas mostraram comportamentos solvatocrômicos diferentes. Uma equação modificada de Taft-Kamlet-Abboud permitiu as quantificações individuais de cada propriedade do solvente, tais como acidez, dipolaridade/polarizabilidade e hidrofobicidade para a resposta de cada sonda. O modelo de solvatação preferencial que considera explicitamente a presença de três espécies na mistura binária de solvente foi aplicado, este considera que a água, o solvente orgânico e a espécie solvente orgânico-água competem pela camada de solvatação da sonda. Os resultados deste tratamento ajudaram no entendimento das forças atuantes na solvatação, especialmente com relação aos efeitos das propriedades de ambos a sonda e o solvente, e do aumento da temperatura. Estudos preliminares de misturas aquosas de líquidos iônicos mostraram as semelhanças e as diferenças entre a solvatação por estas misturas \"verdes\" e a por misturas aquosas de álcoois. Uma aplicação do solvatocromismo para o entendimento de un fenômeno físco-químico foi apresentada: os resultados da aplicação do modelo de solvatação preferencial de sondas em misturas aquosas de tetrametiluréia foram usados para explicar o fenômeno de gelificação de proteína neste mesmo sistema de solventes. / In the present work, solvatochromic probes were employed in the study of pure solvents, binary mixtures of water with protic and aprotic solvents, ionic liquids and their aqueous binary mixtures The probes studied are classified in two series: (i) RPMBr2; where R = methyl to 1-octyl allowed increasing the hydrophobicity while maintaining the pKa constant. (ii) The second series involved derivatives of pyridine, quinoline and acridine, this allowed increasing probe hydrophobicity, while maintaining similar pKa. The two series of probes showed different solvatochromic behaviors both in pure solvents and binary solvent mixtures. A modified equation of Taft-Kamlet-Abboud allowed quantification of each solvent property, including acidity, dipolarity/polarizability and hydrophobicity to the response of each probe. The preferential solvation model which explicitly considers the presence of three species was employed; it considers the competition of water, organic solvent and the complex water-organic solvent in the probe solvation shell. The results shed light on the interactions that affect solvation, including temperature-induced desolvation. Preliminary results on aqueous ionic liquids showed the similarities and difference between solvation by these \"green\" mixtures and those of aqueous alcohols. An application of solvatochromism for understanding a physical-chemical phenomenon was presented: the results of application of preferential solvation model of probes in aqueous tetramethylurea mixtures was used to explain the gelation of the protein lysozyme in this same solvent system.

<p>Activated carbon is an adsorbent that is commonly used for removing organic contaminants from air due to its abundant pores and large internal surface area. This thesis is concerned with the static adsorption capacity and adsorption kinetics for single and binary organic compounds on different types of activated carbon. These are important parameters for the design of filters and for the estimation of filter service life. Existing predictive models for adsorption capacity and kinetics are based on fundamental “hard” knowledge of adsorption mechanisms. These models have several drawbacks, especially in complex situations, and extensive experimental data are often needed as inputs. In this work we present a systematic approach that can contribute to the further development of predictive models, especially for complex situations. The approach is based on Multivariate Data Analysis (MVDA), which is ideally suited for the development of soft models without incorporating any assumptions about the mathematical form or fundamental physical principles involved. </p><p>Adsorption capacity and adsorption kinetics depend on the properties of the carbon and the adsorbate as well as experimental conditions. Therefore, to make general statements regarding adsorption capacity and kinetics it is important for the resulting models to be representative of the conditions they will simulate. Accordingly, the first step in the investigations underlying this thesis was to select a minimum number of representative and chemically diverse organic compounds. The next steps were to study the dependence of the derived affinity coefficient, β, in the Dubinin-Radushkevich equation on properties of organic compounds and to establish a new, improved model. This new model demonstrates the importance of adding descriptors for the specific interaction with the carbon surface to the size and shape descriptors. The adsorption capacities of the same eight organic compounds at low relative pressures were correlated with compound properties. It was found that different compound properties are important in the various stages of adsorption, reflecting the fact that different mechanisms are involved. Ideal adsorbed solution theory (IAST) in combination with the Freundlich equation was developed to predict the adsorption capacities of binary organic compound mixtures. A new model was proposed for predicting the rate coefficient of the Wheeler-Jonas equation which is valid for breakthrough ratios up to 20%. Finally, it was shown that the Wheeler-Jonas equation can be adapted to describe the breakthrough curves of binary mixtures. New models were proposed for predicting its parameters, the adsorption rate coefficients, and the adsorption capacities for both components of the binary mixture. Thus, multivariate data analysis can not only be used to assist in the understanding of adsorption mechanisms, but also contribute to the development of predictive models of adsorption capacity and breakthrough time for single and binary organic compounds.</p>

An experimental investigation of condensation of hydrocarbons and hydrocarbon/refrigerant mixtures in horizontal tubes was conducted. Heat transfer coefficients and frictional pressure drops during condensation of a zeotropic binary mixture of R245fa and n-pentane in a 7.75 mm internal diameter round tube were measured across the entire vapor-liquid dome, for mass fluxes ranging from 150 to 600 kg m-2 s-1, and reduced pressures ranging from 0.06 to 0.23. Condensation experiments were conducted for the mixture, as well as its pure constituents over a similar range of conditions. In addition, condensing flow of the hydrocarbon propane was documented visually using high-speed video recordings. Results from these experiments were used to establish the two-phase flow regimes, void fractions, and liquid film thicknesses during condensation of propane flowing through horizontal tubes with internal diameters of 7 and 15 mm. These measurements were made over mass fluxes ranging from 75 to 450 kg m-2 s-1, operating pressures ranging from 952 to 1218 kPa, and vapor qualities ranging from 0.05 to 0.95. Liquid film thickness and void fraction data were subsequently be used to assist the development of heat transfer and pressure drop models. In particular, the heat transfer coefficients and pressure drops observed in the mixture were compared with the corresponding values for the pure constituents. Models for heat transfer and pressure drop in the pure components as well as the mixtures were developed based on the data from the present study. This work extends the available literature on two-phase flow regimes for air-water mixtures, steam, and refrigerants to include hydrocarbons. Additionally, the limited information on condensation in multi-constituent hydrocarbon-hydrocarbon and refrigerant-refrigerant mixtures was extended to include hydrocarbon-refrigerant mixtures. The findings of this study are expected to benefit applications such as refrigeration, low-grade heat-driven power generation, and the development of heat exchangers for the chemical and process industries.

Made available in DSpace on 2016-12-12T20:25:12Z (GMT). No. of bitstreams: 1 Diego da Silva.pdf: 2316377 bytes, checksum: 8cdc8aef19b579ce777e88c236323f74 (MD5) Previous issue date: 2015-12-10 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / In practical applications related to the drying process is absolutely essential to understand the basic echanism of mass transfer of chemical species by convection. Once understood this physical phenomenon, it is possible to propose techniques to increase the convective mass transfer coefficient of the chemical species in order to enhance or control the drying. Within this context, the main objective of this study was to develop, validate and apply a numerical simulation tool for the study of the turbulent flow of a binary mixture (air-water vapor) inside the channels. The numerical method was developed using finite difference equations being discretized by central differences in co-located mesh. Artificial dissipation terms have been introduced to control the roblem of odd-even decoupling and minimize numerical instabilities. Because the flow is turbulent, the turbulence model type high Reynolds_ &#603;, since the industrial applicability of the model was used. The physical study was to evaluate drying important parameters, namely: (i) determining the rates of mass transfer of chemical species on the surface of the channels (solid / gas interface) in problems of forced convection; (ii) analyzing the effects of parameters / important characteristics of the flow of the mixture over a drying process. The results established that the mass transfer of the chemical species to the flow channel wall is directly affected by parameters considered, particularly in the entrance region and the channel region resulting in recirculation. / Em aplicações práticas relacionadas ao processo de secagem é absolutamente essencial compreender o mecanismo básico da transferência de massa da espécie química por convecção. Uma vez compreendido este fenômeno físico, é possível propor técnicas para aumentar o coeficiente convectivo de transferência de massa de forma a intensificar ou controlar a secagem. Dentro deste contexto, o principal objetivo deste trabalho foi desenvolver, validar e aplicar uma ferramenta de simulação numérica para o estudo do escoamento turbulento de uma mistura binária (ar-vapor d água) no interior de canais. O método numérico foi desenvolvido em diferenças finitas, sendo as equações de governo discretizadas em diferenças centrais em malha co-localizada. Foram introduzidos termos de dissipação artificial para controlar o problema do desacoplamento par-ímpar e minimizar instabilidades numéricas. Devido o escoamento ser turbulento, foi utilizado o modelo de turbulência do tipo k &#8722; &#603; alto Reynolds, visto a aplicabilidade industrial do modelo. O estudo físico realizado consistiu em avaliar parâmetros importantes da secagem, a saber: (i) determinação das taxas de transferência de massa da espécie química na superfície dos canais (interface sólido/gás) em problemas de convecção forçada; (ii) análise dos efeitos de parâmetros/características importantes do escoamento da mistura sobre um processo de secagem. Os resultados obtidos estabeleceram que a transferência de massa da espécie química das paredes do canal é diretamente afetada pelos parâmetros considerados, principalmente na região de entrada do canal e em regiões que resultam em recirculação.