Submitted by Rafael Santana (rafael.silvasantana@ufpe.br) on 2018-03-12T17:27:04Z No. of bitstreams: 2 license_rdf: 811 bytes, checksum: e39d27027a6cc9cb039ad269a5db8e34 (MD5) Dissertação - Leandro Claudino.pdf: 4894266 bytes, checksum: f65af739722f202c62db9f213cf0dd14 (MD5) / Made available in DSpace on 2018-03-12T17:27:05Z (GMT). No. of bitstreams: 2 license_rdf: 811 bytes, checksum: e39d27027a6cc9cb039ad269a5db8e34 (MD5) Dissertação - Leandro Claudino.pdf: 4894266 bytes, checksum: f65af739722f202c62db9f213cf0dd14 (MD5) Previous issue date: 2017-01-10 / CAPES / Devido à dificuldade de extração de petróleo em alto mar, tornou-se necessário o investimento em sistemas tecnológicos de obtenção deste produto, que em muitos casos se encontra a mais de 2000 metros de lâmina d’água, como é o caso da camada pré-sal. Os risers são os sistemas responsáveis por fazerem a ligação entre os poços de petróleo às unidades flutuantes, entretanto, devido à dificuldade existente de se extrair petróleo em águas muito profundas, a utilização de risers rígidos desponta como uma ótima alternativa. Para tanto, faz-se necessário o uso de aços especiais para desempenho deste trabalho, visto a agressividade do meio em que os risers estarão sendo submetidos, onde o aço API 5CT P110 aparece como uma alternativa promissora, por apresentar excelente resistência mecânica e boa tenacidade. Devido a essa agressividade, pode ocorrer o surgimento de trincas, e se essas não forem avaliadas e tomadas as providências necessárias, reparando ou substituindo as partes danificadas, a estrutura pode vir a falhar. Por isso, a avaliação da integridade estrutural desses componentes, através da Mecânica da Fratura, desponta como um procedimento de elevada importância, pois esta técnica visa analisar de maneira minuciosa as trincas existentes numa estrutura, aplicando princípios que garantam sua operacionalidade. Portanto, este estudo tem como objetivo avaliar a integridade estrutural de risers rígidos de injeção trincados, por meio do diagrama FAD (Failure Assessment Diagram), baseando-se na metodologia recomendada pela norma britânica BS 7910, comparando estes resultados com os obtidos através de simulações computacionais realizadas com o software Abaqus. Os resultados alcançados mostraram a importância de se utilizar estes procedimentos de avaliação, visto que é possível postergar, em alguns casos, a troca de um riser reduzindo os custos associados ao novo riser e aos processos operacionais de troca. / Due to the difficulty of oil extraction in the high seas, it became necessary to invest in technological systems to obtain this product, which in many cases is more than 2000 meters of water, such as the pre- salt. Risers are the systems responsible for linking oil wells to floating units. However, due to the difficulty of extracting oil in ultra deep waters, the use of rigid risers is a great alternative. In order to do so, it is necessary to use special steels to perform this work, considering the aggressiveness of the medium in which the risers will be submitted, where API 5CT P110 steel appears as a promising alternative, as it presents excellent mechanical strength and good toughness. Because of this aggressiveness, cracking may occur, and if these are not evaluated and taken care of by repairing or replacing damaged parts, the structure may fail. For this reason, the evaluation of the structural integrity of these components, through Fracture Mechanics, emerges as a procedure of great importance, since this technique aims to analyze in detail the cracks in a structure, applying principles that guarantee its operability. Therefore, this study aims to evaluate the structural integrity of rigid injection risers, through the FAD (Failure Assessment Diagram) diagram, based on the methodology recommended by the British standard BS 7910, comparing these results with those obtained through simulations with Abaqus software. The results showed the importance of using these valuation procedures, since it is possible to postpone, in some cases, the exchange of a riser, reducing the costs associated with the new riser and the operational processes of exchange.

ABSTRACT Many enzymes require cofactors in order to carry out specific functions. Flavins, which are naturally fluorescent, compose a unique group of redox cofactors because they have the ability to transfer one or two electrons and are therefore found in three different oxidation states. A specific flavin, flavin adenine dinucleotide (FAD), is a crucial cofactor that facilitates electron transfer in many flavoproteins involved in DNA repair, photosynthesis, and regulatory pathways. One example of a FAD-containing DNA repair protein is DNA Photolyase (PL). E. coli PL is a monomeric flavoprotein that facilitates DNA repair via a photoinduced electron transfer reaction. The catalytic cofactor, FAD, transfers an electron to a thymidine dimer lesion, to cleave the cyclobutane ring and restore the DNA strand. Although the mechanism of repair has been partially elucidated by our group, it is still unclear whether or not the electron is transferred directly from the isoalloxazine moiety to the dimer or if the electron hops from the isoalloxazine moiety to the adenine moiety to the dimer. This sequential hopping mechanism should have excited state absorption features for the reduced flavin species, an adenine radical anion, and the semiquinone flavin species. To investigate the mechanistic role of adenine, E. coli PL has been reconstituted with -FAD, an FAD analogue in which the adenine was substituted via chemical means with 1,N6 – ethenoadenine dinucleotide. -FAD was selected due to its ease of synthesis and because its structure changes the thermodynamic driving force for the electron transfer reaction, by lowering the energetic gap (LUMO-LUMO) between the isoalloxazine ring and the modified adenine. In order to characterize the excited state dynamics of the mutant chromophore, the transient absorption measurements were made of each free flavin in solution. These measurements indicate the pathway of electron transfer must be mediated via superexchange rather than a hopping mechanism. This important result shows that the role of adenine in photolyase is to facilitate a superexchange electron transfer mechanism, and a modified flavin can act as a reporter under these experimental conditions. By exploiting Corynebacterium ammoniagenes FAD synthetase adenylation promiscuity, we have enzymatically-synthesized and purified a novel dually fluorescent flavin cofactor. This new flavin adenine dinucleotide (FAD) analogue, flavin 2-aminopurine (2Ap) dinucleotide (F2ApD), can be selectively excited through the 2Ap moiety at 310 nm, a wavelength at which flavins have intrinsically low extinction. The dinucleotide 2Ap emits at 370 nm with high efficiency. This emission has excellent overlap with the absorption spectra of both oxidized and reduced hydroquinone flavin (FlOX and FlHQ respectively), which emit at ~525 and ~505 nm respectively. We have characterized the optical properties of this dually fluorescent flavin, iFAD. Steady state fluorescence excitation and emission spectra were obtained and contrasted with the other flavins. Temperature- and solvent-dependent emission spectra suggest that F2ApD stacking interactions are significantly different compared to FAD and etheno-FAD (FAD). The optical absorption spectra of these dinucleotides were compared with FMN to explore electronic interactions between the flavin and nucleobase moieties. To probe the evolution of the different excited state populations, femtosecond transient absorption measurements were made on the iFADs, revealing that F2ApD exhibited unique transient spectra as compared to either FAD or FAD. The significance of these results to flavins, flavoprotein function, and bioimaging are discussed. The reconstituted -FAD in E.coli photolyase was catalytically active and actually repaired more efficiently than the FAD-reconstituted photolyase. To validate that an enzymatically synthesized iFAD could be reconstituted into a flavoprotein, this work shows a DNA repair assay using F2ApD that was reconstituted into E. coli photolyase, generating the reconstituted analogue, ApPL. Activity assays were compared between FAD-PL and ApPL. This comparison further elucidates the importance of the driving force on the electron transfer reaction in PL. A comparison of fluorescence spectroscopies between the reconstituted PLs highlights their applicability as biosensors and/or mechanistic reporters. / Chemistry

Les flavohémoglobines (FlavoHbs) sont des protéines fixant l’oxygène qui possèdent un domaine globine N-terminal lié de manière covalente à un domaine C-terminal réductase contenant une flavine adénine dinucléotide (FAD) et un site de fixation du nicotinamide adénine dinucléotide (phosphate) (NAD(P)H). Ces protéines que l’on retrouve exclusivement chez les microorganismes possèdent une action NO dioxygénase et interviennent donc dans la défense des microorganismes contre les dommages générés par le NO. De par ce rôle essentiel de défense microbienne, les flavoHbs sont considérés comme des cibles attractives des antibiotiques. En particulier, les dérivés azolés ont montré la capacité d’inhiber la fonction NO dioxygénase des flavoHbs par un mécanisme inconnu. Afin de mieux comprendre le mode d’action de ces antibiotiques, nous avons entrepris une étude structurale, enzymatique et spectroscopique sur trois flavoHbs d’intérêt. Les structures tridimensionnelles de la flavoHb de R. eutropha (FHP) en complexe avec le miconazole, l’éconazole et le kétoconazole ainsi que celle de S. cerevisae (YHB) seule et en complexe avec l’éconazole ont été obtenues à des résolutions satisfaisantes permettant de décrire précisément les interactions entre la protéine et les inhibiteurs. Les structures ont révélé des réarrangements conformationnels importants selon la nature chimique de l’inhibiteur et la présence d’acides gras dans la poche de l’hème. Afin de comprendre le rôle fonctionnel des acides gras dans le cycle catalytique de l’enzyme, la structure tridimensionnelle de la FHP en complexe avec l’acide linolénique a été obtenue et des analyses enzymatiques et spectroscopiques ont montré l’importance des acides gras dans la modulation de l’activité de la protéine. Parallèlement, des études sur la FHP, la YHB et la flavoHb de S. aureus (Shb) ont permis de mieux appréhender le rôle des inhibiteurs dans le processus de transfert d’électrons au sein de la protéine. / Flavohemoglobins (FlavoHbs) are oxygen binding proteins which consist of a heme-globin domain fused with a ferredoxin reductase –like FAD and NAD-binding domain. FlavoHbs have been identified exclusively in microorganisms where they play a key role in defence against NO damages by using their NO dioxygenase activity. These proteins are therefore considered as targets for new antibiotic drugs. Recently, azole derivatives were proven to be attractive nitric oxide dioxygenase inhibitors by a mechanism that remains elusive. In order to explore their binding characteristics, we determined the X-ray structure of the flavoHb from Ralstonia eutropha in a complex with miconazole (FHPm), econazole (FHPe), and ketoconazole (FHPk) as well as the X- ray structure of S. cerevisae flavoHb in both ligand-free and econazole-bound forms. We describe the interactions between the protein matrix and the inhibitors in a comparative manner and how the bulky structures of the azole inhibitors dictate the profile of the hemebinding pocket and vice versa in flavoHbs.Although the azole compounds were able to push the lipid out of its binding site, a fatty acid fragment is still bound inside the heme pocket of FHPe and FHPk and dictates the state of the protein. To go further in the compréhension of the fatty acid function in the flavoHbs, we determined the three dimensionnal structure of FHP in complex with linolenic acid. Spectroscopic and enzymatic analyzis confirmed the important role of fatty acids in enhancing the protein activity. We also made studies to understand how azoles modulate the electron transfer process in the flavoHbs.

A vinhaça é um dos resíduos provenientes da indústria sucroalcooleira, sendo gerados em média 12 litros do efluente para cada litro de álcool produzido. Uma elevada carga orgânica torna a vinhaça potencial agente poluidor, podendo a disposição direta no solo representar solução ambientalmente desvantajosa para este resíduo. Diante do crescimento do setor sucroalcooleiro no Brasil e da necessidade de gestão do volumoso resíduo, este estudo avaliou duas formas de tratamentos físico-químicos da vinhaça, a precipitação química e a flotação por ar dissolvido (FAD), além de um tratamento biológico através do cultivo de microalgas no efluente do sistema FAD. Avaliou-se, adicionalmente, o potencial nutritivo do sólido separado pela FAD para aplicação como suprimento em alimentação animal. A precipitação química foi estudada variando-se pH (via adição NaOH) e tempo de reação, tendo atingido eficiências de remoção de fósforo, amônia e potássio de 31,3 ± 3,4%, 7,8 ± 4,1% e 9,7 ± 0,7%, respectivamente na faixa de pH de 8,5 a 9,5. Na FAD apenas o parâmetro dosagem apresentou significância estatística na separação dos sólidos suspensos da vinhaça. A dosagem e o percentual de recirculação foram avaliados em ensaios de clarificação e de espessamento de lodo de vinhaça. Desses ensaios obteve-se que todas as faixas de dosagens e recirculações geraram eficiências de remoção de sólidos extremamente elevadas, sendo a dosagem de 20 mg/L de polímero e 13% de recirculação adotadas como vantajosas, apresentando remoção de 98,5% da turbidez. Tal configuração gerou parâmetros de projeto de flotadores de alta eficiência, com elevadas taxas de aplicação superficial. O sólido separado na FAD apresentou interessante potencial nutritivo quando comparado bromatologicamente a produtos já utilizados como alimento para bovinos. O cultivo no efluente do sistema FAD não apresentou resultados positivos mesmo na mínima concentração testada (10% v/v de vinhaça) com relação a crescimento de Chlorella vulgaris Beijerink (1890), provavelmente pela vantagem competitiva das bactérias e possível toxicidade da vinhaça em concentrações elevadas. / The stillage is a waste from the sugar and alcohol industry, which generated on average 12 liters of effluent per liter of alcohol produced. A high organic load makes the vinasse a potential pollutant agent and a direct placement in soil represent environmentally disadvantageous solution to this residue. Given the growth of this sector in Brazil and the need for this bulky waste management, this study evaluated two forms of physicochemical treatments of vinasse: chemical precipitation and dissolved air flotation (DAF), and biological treatment through microalgae cultivation in the effluent of the FAD system. Additionally, it was assessed the nutritional potential of solid separated by FAD for application as animal food supply. Chemical precipitation was studied at varying pH (by adding NaOH) and reaction time, reaching efficiencies of phosphorus, ammonia and potassium removal of 31.3 ± 3.4%, 7.8 ± 4.1% and 9.7 ± 0.7% respectively in the pH range of 8.5 to 9.5. In FAD, only the dosage parameter showed statistical significance in the separation of suspended solids of the stillage. The dosage and the percentage of recirculation were analysed in tests of clarification and thickening sludge stillage. From these tests it was found that all dosages and recirculations ranges generated extremely high solids removal efficiencies, in wich the dosage of 20 mg/ L of polymer and 13% recirculation was adopted as advantageous, with turbidity removal about of 98.5%. Such configuration generated design parameters of high efficiency floaters, with high flow rates. The separated solid in FAD showed interesting nutritional potential when bromatologically compared to products already used as food for cattle. The cultivation in the effluent of FAD system did not show positive results even at the minimum concentration tested (10% v/v vinasse with respect to growth of Chlorella vulgaris Beijerink (1890), probably due the competitive advantage of bacterias and possible toxicity of vinasse in high concentrations.

A vinhaça é um dos resíduos provenientes da indústria sucroalcooleira, sendo gerados em média 12 litros do efluente para cada litro de álcool produzido. Uma elevada carga orgânica torna a vinhaça potencial agente poluidor, podendo a disposição direta no solo representar solução ambientalmente desvantajosa para este resíduo. Diante do crescimento do setor sucroalcooleiro no Brasil e da necessidade de gestão do volumoso resíduo, este estudo avaliou duas formas de tratamentos físico-químicos da vinhaça, a precipitação química e a flotação por ar dissolvido (FAD), além de um tratamento biológico através do cultivo de microalgas no efluente do sistema FAD. Avaliou-se, adicionalmente, o potencial nutritivo do sólido separado pela FAD para aplicação como suprimento em alimentação animal. A precipitação química foi estudada variando-se pH (via adição NaOH) e tempo de reação, tendo atingido eficiências de remoção de fósforo, amônia e potássio de 31,3 ± 3,4%, 7,8 ± 4,1% e 9,7 ± 0,7%, respectivamente na faixa de pH de 8,5 a 9,5. Na FAD apenas o parâmetro dosagem apresentou significância estatística na separação dos sólidos suspensos da vinhaça. A dosagem e o percentual de recirculação foram avaliados em ensaios de clarificação e de espessamento de lodo de vinhaça. Desses ensaios obteve-se que todas as faixas de dosagens e recirculações geraram eficiências de remoção de sólidos extremamente elevadas, sendo a dosagem de 20 mg/L de polímero e 13% de recirculação adotadas como vantajosas, apresentando remoção de 98,5% da turbidez. Tal configuração gerou parâmetros de projeto de flotadores de alta eficiência, com elevadas taxas de aplicação superficial. O sólido separado na FAD apresentou interessante potencial nutritivo quando comparado bromatologicamente a produtos já utilizados como alimento para bovinos. O cultivo no efluente do sistema FAD não apresentou resultados positivos mesmo na mínima concentração testada (10% v/v de vinhaça) com relação a crescimento de Chlorella vulgaris Beijerink (1890), provavelmente pela vantagem competitiva das bactérias e possível toxicidade da vinhaça em concentrações elevadas. / The stillage is a waste from the sugar and alcohol industry, which generated on average 12 liters of effluent per liter of alcohol produced. A high organic load makes the vinasse a potential pollutant agent and a direct placement in soil represent environmentally disadvantageous solution to this residue. Given the growth of this sector in Brazil and the need for this bulky waste management, this study evaluated two forms of physicochemical treatments of vinasse: chemical precipitation and dissolved air flotation (DAF), and biological treatment through microalgae cultivation in the effluent of the FAD system. Additionally, it was assessed the nutritional potential of solid separated by FAD for application as animal food supply. Chemical precipitation was studied at varying pH (by adding NaOH) and reaction time, reaching efficiencies of phosphorus, ammonia and potassium removal of 31.3 ± 3.4%, 7.8 ± 4.1% and 9.7 ± 0.7% respectively in the pH range of 8.5 to 9.5. In FAD, only the dosage parameter showed statistical significance in the separation of suspended solids of the stillage. The dosage and the percentage of recirculation were analysed in tests of clarification and thickening sludge stillage. From these tests it was found that all dosages and recirculations ranges generated extremely high solids removal efficiencies, in wich the dosage of 20 mg/ L of polymer and 13% recirculation was adopted as advantageous, with turbidity removal about of 98.5%. Such configuration generated design parameters of high efficiency floaters, with high flow rates. The separated solid in FAD showed interesting nutritional potential when bromatologically compared to products already used as food for cattle. The cultivation in the effluent of FAD system did not show positive results even at the minimum concentration tested (10% v/v vinasse with respect to growth of Chlorella vulgaris Beijerink (1890), probably due the competitive advantage of bacterias and possible toxicity of vinasse in high concentrations.

La documentation scientifique internationale fait largement état d'expériences de formalisation des formations à distance (FAD) recourant aux technologies de l'information et de la communication (TIC) soit en tant qu'environnement d'enseignement et d'apprentissage soit en tant que dispositif de soutien à l'apprentissage. Ainsi, deux formats d'organisation et de gestion de la relation pédagogique ou didactique en ressortent : soit une FAD complète et un modèle mixte alternant présentiel et distanciel. L'intégration des TIC en FAD ouvre la voie à la révision de la fonction de production et de médiation des savoirs à l'ordre collégial. Elle représente une opportunité pour les établissements d'enseignement de se remettent en question afin d'effectuer une réflexion pédagogique préalable aux changements apportés à la pratique enseignante. Dans ce contexte, cette étude exploratoire et descriptive vise à identifier les conditions optimales de mise en oeuvre des dispositifs pédagogiques et instrumentaux soutenant la médiation pédagogique et le processus de médiatisation lors du recours aux TIC en formation mixte et distante. Notre échantillon de convenance est composé de 41 sujets provenant de la formation mixte et distante à l'ordre collégial. Dans une perspective de méthodologique mixte, la cueillette des données s'est fondée sur l'administration d'un questionnaire d'enquête en ligne et d'une entrevue téléphonique visant à approfondir les données recueillies par le questionnaire. Les résultats obtenus permettent d'identifier l'existence de profils distincts de médiation et de médiatisation adoptés par nos répondants, et présument l'existence d'éléments centraux d'une représentation sociale. Nos résultats démontrent aussi la pertinence de déployer des recherches subséquentes visant à mieux documenter l'univers particulier de l'intervention éducative en formation mixte et distante recourant aux TIC à l'ordre collégial et soulignent l'urgence de comprendre les causes du faible développement de l'offre et de la demande pour ce type de formation tant de la part des institutions que des clientèles.

D-Arginine dehydrogenase (DADH) catalyzes the oxidation of D-arginine to imino arginine using FAD as the cofactor. The enzyme is part of a recently discovered two-enzyme complex from Pseudomonas aeruginosa involved in arginine utilization. Function of the enzyme within the organism is unknown. Work on this enzyme has been undertaken to understand the structure as well as its reaction mechanism so as to eventually assign a function to the enzyme within the physiological context. In the reductive half-reaction 2 e- and 1 H+ are transferred from the amino acid substrate to FAD cofactor. In the oxidative half-reaction the reducing equivalents from the FAD cofactor are passed to an electron acceptor that is yet to be discovered. The enzyme has been established to have no reactivity with O2. Choline oxidase (CHO) from Arthrobacter globiformis is a well characterized member of Glucose-Methanol-Choline Superfamily that reacts with molecular O2. It catalyzes the oxidation of choline to glycine betaine mediated by betaine aldehyde intermediate using FAD as the cofactor and O2 as the oxidant to regenerate oxidized FAD for further reaction. Glycine betaine, the product of the reaction is an important osmolyte that regulates nutrients for plants under stressful conditions. Therefore it is of commercial interest to genetically engineer crops that do not typically possess competent pathways for glycine betaine synthesis. In this dissertation molecular details concerning the reductive half-eaction of DADH and oxidative half-reaction of CHO have been studied using a combination of steady state kinetics, rapid kinetics, pH, multiple substrates, mutagenesis, substrate deuterium and solvent isotope effects, viscosity effects or computational approaches. In DADH, the oxidation of amino acid substrate by FAD has been shown to most likely proceed via hydride transfer mechanism in the reductive half-reaction with Glu87, Tyr53, Tyr249 and His48 emerging as key players in substrate binding, catalysis or for up keeping the integrity of the FAD cofactor. In CHO, the oxidative half-reaction proceeds without stabilization of any reaction intermediates with H atom from reduced FAD and H+ from solvent or solvent exchangeable site occurring in the same kinetic step.

Carbon Capture and Storage (CCS) is recognised as having a significant role to play in tackling climate change and reducing carbon dioxide (CO2) emissions. In CCS schemes, CO2 is captured from anthropogenic sources, and transported to suitable sites either for EOR (Enhanced Oil Recovery) or storage. The transport of such huge amount of CO2 causes new challenges. The main concern is in the difference between natural gas and CO2 transportation pipelines. CO2 phase behaviour during decompression, existence of different impurities and very high operating pressure are some of the new challenges for pipeline designer and operators. This PhD study has taken a systematic approach to understand the mechanics involved in the fracture of pipes containing high pressure flue-gas CO2. The work involved the development of a novel weight function stress intensity factor solution that can be used with complex stress fields induced by residual and/or thermal stresses in addition to applied pressure. In addition, the thesis reports a substantial experimented test programme which involved low temperature fracture toughness tests linked to a detailed finite element based stress analysis. Overall, the thesis presents an integrated engineering criticality means to assess the suitability or otherwise of a pipeline system to transport high pressure flue-gas CO2.

O processo de flotação por ar dissolvido antecedendo a filtração, constitui hoje técnica já consolidada para clarificação de água para abastecimento. Apesar de apresentar elevada eficiência de remoção de partículas em suspensão e das diversas vantagens associadas a sua utilização, ainda existem particularidades deste processo pouco conhecidas. Visando compreender melhor a flotação por ar dissolvido e contribuir para a otimização das unidades existentes e também nos projetos de novas unidades, foram utilizadas técnicas de fluidodinâmica computacional para estudar as condições de escoamento entre água e ar observadas numa unidade piloto de flotação. A flotação foi investigada através de simulações em ambiente de CFD, acoplado a experimentos laboratoriais em instalação piloto de flotação por ar dissolvido. Estes últimos compreenderam a execução de ensaios com traçador para obtenção das curvas de distribuição de tempo de residência na unidade em questão e também por testes com sonda do tipo Micro ADV para levantamento do perfil de velocidades de escoamento no interior da unidade piloto. Os resultados das análises experimentais com sonda Micro ADV indicaram a presença de escoamento estratificado na região superior da zona de separação da unidade piloto. As curvas de distribuição do tempo de residência apontaram para escoamento do tipo pistonado. O tempo de detenção observado nos ensaios foi de 19,29 e 18,66 minutos respectivamente para escoamento somente de água e sem recirculação e escoamento entre água e ar. As simulações em CFD confirmaram a presença de escoamento estratificado na zona de separação e também a presença de uma manta de microbolhas de ar na mesma. Os resultados foram sensíveis ao diâmetro de microbolhas testado, com maior concentração de ar na zona de separação quando testados diâmetros de microbolhas menores que 60 µm. As curvas de distribuição de tempo de residência obtidas nas simulações em CFD foram capazes de representar o escoamento entre água e ar. O tempo de detenção hidráulico simulado foi de 14,24 e 18,90 minutos respectivamente para as mesmas condições experimentais testadas. De uma maneira geral, as simulações em CFD foram capazes de reproduzir as condições de escoamento entre ar e água observadas na unidade piloto de flotação, os resultados computacionais são condizentes com aqueles obtidos nos ensaios experimentais. / The dissolved air flotation process preceding filtration, consist in established technique for clarification of water supply. Despite presenting high suspended particle removal efficiency and the various advantages associated with their use, there are still a few particularities of this process slightly unknown. To better understand the dissolved air flotation and contribute to the optimization of the existing units and also in projects of new units, computational fluid dynamics techniques were used to study the flow conditions between water and air observed in a flotation pilot plant. The flotation process was investigated in CFD environment, coupled to laboratory experiments in dissolved air flotation scale pilot plant. The latter comprised running tests with tracer to obtain the residence time distribution curves in the pilot plant, tests with micro ADV probe were also conducted for raising the flow velocity profile within the unit. The results of micro ADV experimental analyzes indicated the presence of stratified flow in the upper region of the separation zone of the pilot plant. The residence time distribution curves pointed to plug flow. The retention time observed in the experiments were 19,29 and 18,66 minutes, respectively for the flow of water only and without recirculation and flow of water and air. The CFD simulations confirmed the presence of stratified flow in the separation zone and also the presence of a microbubble air blanket therein. The results were sensitive to the diameter of microbubbles tested, with bigger air concentration in the separation zone when tested with microbubbles diameters smaller than 60 micrometers. The residence time distribution curves obtained in CFD simulations were able to represent the water and air flow. The simulated hydraulic retention times obtained were 14,24 and 18,90 minutes, respectively, for the same experimental conditions. In general, the CFD simulations were able to reproduce the flow conditions observed between air and water in the flotation pilot plant, the computational results were consistent to those obtained in the experiments.

A flotação por ar dissolvido é atualmente muito utilizada e reconhecida como uma técnica eficiente para o tratamento de águas para abastecimento. Diversos estudos vêm sendo realizados para aprimoramento desta técnica e das características físicas das unidades, dentre estes o estudo do emprego de ferramenta de simulação computacional do escoamento (CFD) para melhor compreensão da estrutura de escoamento dentro dos tanques e da influência de diversos parâmetros no processo, de modo a auxiliar nas etapas de projeto e melhorias das unidades. Neste contexto, o presente trabalho propôs a verificação do potencial de utilização da ferramenta computacional CFD para representação do escoamento em uma unidade piloto de flotação por ar dissolvido de grande porte. A pesquisa foi dividida em cinco etapas: as Etapas I e II compreenderam a validação dos modelos adotados através da variação do diâmetro de microbolhas e comparação com resultados experimentais de ADV de Escher (2011), na Zona de Separação, e de Patrizzi (2005), em ambas as zonas do reator; na Etapa III, foram realizadas quatro simulações com uma das configurações da Etapa I, variando a condição de contorno de superfície e de saída do flotador, de modo a calibrar o modelo; na Etapa IV, foram realizadas cinco simulações com um dos modelos da Etapa III, variando a geometria da unidade para análise da influência destas na estrutura de escoamento; e, finalmente, na Etapa V, uma mesma configuração de operação e geometria foi empregada em três variações do modelo, por meio de mudanças na condição de contorno de saída e na abordagem Eulerian-Eulerian ou Eulerian-Lagrangian. Nas Etapas I, II e V, a superfície d\'água foi modelada como parede porosa sem atrito (permitindo a saída do ar), nas Etapas III e IV, esta foi modelada como superfície livre. Além dos resultados experimentais de ADV das autoras citadas, foram utilizados como base para avaliação dos resultados numéricos, os valores de concentração de ar e gradiente de velocidade. Os resultados mostraram que as simulações com parede porosa subestimaram os vetores de velocidade próximos à superfície, porém apresentaram resultados de concentração de ar próximos ao esperado. Em contrapartida, as simulações com superfície livre foram capazes de reproduzir melhor a turbulência próxima à superfície d\'água, entretanto, não descreveram bem a concentração de microbolhas no meio líquido. / The dissolved air flotation is currently widely used and recognized as an effective technique for the treatment of water for supply. Several studies have been conducted to perfect this technique and the physical characteristics of units, among them the application of computational flow simulation (CFD) to better understand the flow structure inside the tanks and the influence of various parameters on the process, to aid in the design steps and improvements of the units. In this context, the present study aimed to verify the potential use of CFD computational tool to represent the flow in a large scale pilot unit of dissolved air flotation. The research was divided into five stages: Stages I and II comprised the validation of the adopted models by varying the diameter of microbubbles and comparison with experimental results of ADV from Escher (2011), in the Separation Zone, and Patrizzi (2005) in both reactor zones; in Step III, four simulations were carried out with a group of settings of Step I, varying boundary conditionsof the surface and outlet of the flotation unit, in order to calibrate the model; in Step IV five simulations were performed using one of the models of Step III, varying the geometry of the unit to analyze the influence on the flow structure; and finally, in Step V, the same geometry and operating configuration was tested in three variants of the model, by changingboundary conditions and outlet in Eulerian-Eulerian or Eulerian- Lagrangian approaches. In Steps I, II and V, the water surface was modeled as a frictionless porous wall (allowing air to scape), while in Steps III and IV, it was modeled as a free surface. In addition to the ADV experimental results of cited authors, were also used as basis for evaluating the numerical results, values of air concentration and velocity gradient. The results showed that simulations with porous wall underestimated the velocity vectors near the surface, although, these results showed air concentration close to expected values. In contrast, simulations with free surface were able to better represent the turbulence near the water surface, however, were unable to describe the concentration of microbubbles in the liquid medium.