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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
21

Performances and kinetic studies of hydrotreating of bio-oils in microreactor

Attanatho, Lalita 17 September 2013 (has links)
Hydrotreating reaction of vegetable oil is an alternative method for the production of renewable biodiesel fuel. This reaction involves conversion of triglycerides into normal alkanes, leads to a deoxygenated and stable product, which is fully compatible with petroleum derived diesel fuel. The hydrotreating process uses hydrogen to remove oxygen from triglyceride molecules at elevated temperature in the presence of a solid catalyst. This work focused on the development of microtechnology-based chemical reaction process for liquid biofuel production from oil-based biofuel feedstock. A hydrotreating reaction of oleic acid and triolein as model compounds and jatropha oil as real feedstock was studied in a continuous flow microchannel reactor of inner diameter 500 ��m and of varied length; 1.5 - 5 m. The microchannel reactor was fabricated from SS-316. The walls of the microreactor were coated with a thin Al���O��� film, which was then impregnated with Ni-Mo catalyst containing phosphorus as promoter. The reactions were carried out in the temperature range of 275-325 ��C, residence time in the range of 11-40 s and at constant system pressure of 500 psig. The results showed that the microchannel reactor was suitable for the hydrotreating process. Complete conversion of the fatty acid hydrotreating reaction was achieved at a reaction temperature of 325 ��C. Hydrotreating of fatty acids occurred primarily via hydrodeoxygenation and the main liquid products were octadecane and heptadecane. Fatty alcohol, fatty acid and long chain esters were formed as reaction intermediates. Hydrotreating of triglycerides proceeded via the hydrocracking of triglycerides into diglycerides, monoglycerides and fatty acids. Then fatty acids were subsequently deoxygenated to hydrocarbons. The conversion of fatty acids and triglycerides increased with increasing temperatures. A detailed mathematical model was developed to represent this two-phase chemical reaction process. The mathematical model was entirely based on first principles, i.e. no adjustable or correlation parameters were used. Kinetic parameter estimation was performed and the predicted results were in good agreement with experimental results. / Graduation date: 2013 / Access restricted to the OSU Community, at author's request, from Sept. 17, 2012 - Sept. 17, 2013
22

Glicerol en la preparació d'esters de clorohidrina i derivats

Escribà i Gelonch, Marc 03 December 2010 (has links)
Es presenten diferents reaccions de síntesi química, en les quals participa el glicerol com a reactiu, moltes d'elles amb rendiments elevats i bons percentatges de conversió. Un aspecte rellevant d'aquestes reaccions és l'obtenció de compostos o precursors sintètics de substàncies d'alt valor afegit.Així, a partir de la síntesi d'esters de dicloropropil, usant glicerol i clorotrimetilsilà com a font de clor o amb clorur d'alumini usant un líquid iònic, s'han sintetitzat esters d'al·lil, alguns d'ells amb efecte ovicida en insectes. Un dels esters de dicloropropil sintetitzat a partir d'un àcid versàtic ha estat la referència per a la preparació d'esters dessimetritzats usant iodur, hidroxils o imidazoles com a nucleòfils.Amb la finalitat de fer les reaccions més sostenibles, s'han usat reactius provinents de subproductes industrials, tant del sector d'olis i greixos, com de la indústria del biodiesel.S'han emprat noves tècniques en síntesi orgànica, com els líquids iònics i les microones. L'ús de microreactors en una de les reaccions ha demostrat ser efectiu per a disminuir el temps de reacció, la qual cosa hauria de facilitar el seu escalat / Se presentan diferentes reacciones de síntesis química en las cuales participa el glicerol como reactivo. La mayoría de ellas presentan altos rendimientos y buenos porcentajes de conversión. Un aspecto relevante de estas reacciones es la obtención mediante síntesis química de compuestos o precursores sintéticos de sustancias de alto valor añadido.Así, a partir de la síntesis de ésteres de dicloropropilo, usando glicerol y clorotrimetilsilano como fuente de cloro, o con cloruro de aluminio usando un líquido iónico, se han sintetizado ésteres de alilo, algunos de ellos con efecto ovicida. Una de los ésteres de dicloropropilo obtenido a partir de un ácido versático se ha usado como referencia para la preparación de ésteres desimetrizados usando ioduro, hidroxilo o imidazole como nucleófilos.Con la finalidad de aumentar la sostenibilidad, se han usado reactivos procedentes de subproductos industriales, tanto del sector de aceites y grasas, como de la industria del biodiesel.Las nuevas tecnologías, como los líquidos iónicos y las microondas, también han sido aplicadas en algunas de las reacciones estudiadas. Por otra parte, el uso de microreactores ha permitido mejorar el tiempo de reacción de uno de los procesos estudiados, hecho que debería facilitar su escalado. / Different synthetic reactions are shown, where glycerol is used as a starting material. High yields and conversions are reported in many of the described reactions. One relevant aspect is that compounds or synthetic precursors with high added value can be obtained.Thus, starting from dichloropropyl esters, allyl esters can be obtained, some of them with ovicidal effects. These esters can be synthesised using glycerol and either chlorotrimetylsilane or aluminium chloride as chlorine source. In the later case an ionic liquid is needed. A versatic dichloropropyl ester has been the reference to prepare desymmetrized esters using iodine, hydroxy ion or imidazole derivatives as nucleophilic groups.With the aim to develop sustainable reactions, industrial byproducts from the vegetable oil and fat industries, and from the biodiesel industries have been used as reagents.New technologies, such as ionic liquids and microwaves have also been applied. A continuous process using a microreactor has been developed, which could allow the corresponding reaction to be scaled.
23

Determination of Optimal Process Flowrates and Reactor Design for Autothermal Hydrogen Production in a Heat-Integrated Ceramic Microchannel Network

Damodharan, Shalini 2012 May 1900 (has links)
The present work aimed at designing a thermally efficient microreactor system coupling methanol steam reforming with methanol combustion for autothermal hydrogen production. A preliminary study was performed by analyzing three prototype reactor configurations to identify the optimal radial distribution pattern upon enhancing the reactor self-insulation. The annular heat integration pattern of Architecture C showed superior performance in providing efficient heat retention to the system with a 50 - 150 degrees C decrease in maximum external-surface temperature. Detailed work was performed using Architecture C configuration to optimize the catalyst placement in the microreactor network, and optimize reforming and combustion flows, using no third coolant line. The optimized combustion and reforming catalyst configuration prevented the hot-spot migration from the reactor midpoint and enabled stable reactor operation at all process flowrates studied. Best results were obtained at high reforming flowrates (1800 sccm) with an increase in combustion flowrate (300 sccm) with the net H2 yield of 53% and thermal efficiency of >80% from methanol with minimal insulation to the heatintegrated microchannel network. The use of the third bank of channels for recuperative heat exchange by four different reactor configurations was explored to further enhance the reactor performance; the maximum overall hydrogen yield was increased to 58% by preheating the reforming stream in the outer 16 heat retention channels. An initial 3-D COMSOL model of the 25-channeled heat-exchanger microreactor was developed to predict the reactor hotspot shape, location, optimum process flowrates and substrate thermal conductivity. This study indicated that low thermal conductivity materials (e.g. ceramics, glass) provides enhanced efficiencies than high conductivity materials (e.g. silicon, stainless steel), by maintaining substantial thermal gradients in the system through minimization of axial heat conduction. Final summary of the study included the determination of system energy density; a gravimetric energy density of 169.34 Wh/kg and a volumetric energy density of 506.02 Wh/l were achieved from brass architectures for 10 hrs operation, which is higher than the energy density of Li-Ion batteries (120 Wh/kg and 350 Wh/l). Overall, this research successfully established the optimal process flowrates and reactor design to enhance the potential of a thermally-efficient heat-exchanger microchannel network for autothermal hydrogen production in portable applications.
24

Multicomponent approach to silica-grafted peptide catalysts : A 3 D continuous-flow organocatalytic system with on-line monitoring of conversion and stereo-selectivity

Scatena, Gabriel dos Santos 28 November 2014 (has links)
Submitted by Livia Mello (liviacmello@yahoo.com.br) on 2016-10-05T19:33:10Z No. of bitstreams: 1 DissGSS.pdf: 4312480 bytes, checksum: 8eef058f121a266e5a7c67e3b4613506 (MD5) / Approved for entry into archive by Marina Freitas (marinapf@ufscar.br) on 2016-10-20T18:49:34Z (GMT) No. of bitstreams: 1 DissGSS.pdf: 4312480 bytes, checksum: 8eef058f121a266e5a7c67e3b4613506 (MD5) / Approved for entry into archive by Marina Freitas (marinapf@ufscar.br) on 2016-10-20T18:49:39Z (GMT) No. of bitstreams: 1 DissGSS.pdf: 4312480 bytes, checksum: 8eef058f121a266e5a7c67e3b4613506 (MD5) / Made available in DSpace on 2016-10-20T18:49:47Z (GMT). No. of bitstreams: 1 DissGSS.pdf: 4312480 bytes, checksum: 8eef058f121a266e5a7c67e3b4613506 (MD5) Previous issue date: 2014-11-28 / Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) / The derivatization of organocatalysts with functional appendages suitable to anchor onto solid supports is usually achieved by stepwise syntheses. As an alternative to such a strategy, this work describes a one-pot approach to silylated prolyl-peptide catalysts by a multicomponent reaction that enables the simultaneous incorporation of the catalytic and the heterogenizable (triethoxysilane) moieties. A microreactor with high catalytic efficacy and reproducibly in the conjugate addition of aldehydes to nitroolefins was obtained by grafting onto HPLC-grade silica (10 μm) and packing into a column with a selected catalyst. A 3 D continuous-flow system that includes the on-line monitoring of the reaction outcome was set up. For that, the microreactor was coupled to a chromatographic column for the separation of the remaining substrates from the Michael adduct in the second dimension, followed by a chiral polysaccharide column for the analysis of conversion and stereoselectivity. This approach represents a new instrumental setup that combines the advantages of multidimensional chromatography and flow catalysis. / A derivação de Organocatalisadores com apêndices funcionais adequados para ancorar em suportes sólidos é geralmente obtida por síntese “passo a passo”. Como uma alternativa para tal estratégia, este trabalho descreve uma abordagem de síntese one-pot de catalisadores prolil-peptio sililados através de uma reação multicomponentes, que permite a incorporação simultânea do sítio catalítico e o grupo funcional de ancoragem (trietoxisilano). Um micro-reactor foi obtido, tendo elevada eficácia catalítica e reprodutibilidade, na adição conjugada de aldeídos a nitro-olefinas, enxertando sobre sílica de grau HPLC (10 um) e preenchendo uma coluna com um catalisador escolhido. Um sistema de fluxo contínuo 3D que inclui a monitoração em linha do resultado da reação foi ajustado para cima. Para isso, o micro-reator foi acoplado a uma coluna cromatográfica para a separação dos substratos restantes do aduto de Michael na segunda dimensão, seguido por uma coluna de polissacarídeo quiral para a análise de conversão e estereosselectividade. Essa abordagem representa uma nova configuração do instrumento que combina as vantagens de cromatografia multidimensional e reações catálisadas em fluxo.
25

Développement d'un microreacteur plasma pour la synthèse chimique / Development of a plasma microreactor for chemical synthesis

Zhang, Mengxue 22 November 2016 (has links)
La manipulation d'espèces radicalaires de haute énergie dans des conditions expérimentales de sécurité, et qui permet la prédictibilité et l'efficacité des processus engagés demeure un défi en synthèse moléculaire. Pour relever ce défi et développer ainsi de nouvelles voies de synthèses plus propres, notamment en limitant le nombre d’étapes et la consommation en solvants et en catalyseurs, l’équipe Procédés, Plasma, Microsystèmes de Chimie ParisTech développe au sein de l’Institut Pierre-Gilles de Gennes des réacteurs plasma gaz-liquide micro-structurés. Dans cette thèse, des procédés de microfabrication ont été développés afin d’élaborer des microréacteurs diphasiques avec plasma intégré. Deux types de microréacteurs sont présentés dans cette thèse. Le premier type de réacteur utilise des géométries permettant de générer des micro-bulles dans un flux de liquide. Les résultats expérimentaux ont pu démontrer la formation d’un plasma au sein de ces systèmes. Cependant, le transfert des radicaux à l’interface reste assez faible selon une modélisation numérique. Un deuxième microréacteur contenant des cavités de gaz a été ensuite conçu. La phase gazeuse reste immobile tandis que la phase liquide progresse dans le microcanal. Le transfert de radicaux de la phase gazeuse vers la phase liquide a été mis en évidence (réaction de fluorescence), et la nature et quantité des radicaux ont été déterminées (réaction de spin-trapping). Ces résultats ont pu être confrontés à ceux d’une simulation numérique en utilisant le logiciel COMSOL Multiphysics. / Recently, organic synthesis by plasma technology is drawing more and more attention to chemists. The generation of a plasma leads to various reactive species (electrons, radicals, and positive and negative ions, etc.) which can therefore promote various chemical reactions. Engaging fewer reactions and catalysts and consuming less solvent, plasma-assisted reactions open up new and cleaner routes for organic synthesis. To control the selectivity of the radical reaction, it is necessary to precisely control the concentration of reactants and products, and be able therefore to inject or extract precisely chemical compounds in the reactive medium. As a consequence, microfluidics, known for its precise handling of fluid hydrodynamics, could be an ideal tool to control the reactivity of the radical species. In this study, a novel plasma-integrated microfluidics device has been developed with the objective to perform chemical synthesis. After a first step of electrode optimization and geometry optimization, a cavity plasma microreactor was conceived using rapid prototyping techniques. When the reactant is in the liquid phase, a key point is the radical transfer process from the plasma medium to the liquid phase. This transfer process was evaluated by means of electron paramagnetic resonance spectroscopy and fluorescence measurements. Experimental results show that the migration of various radical species (H and ∙OH) from gas to liquid phase was achieved. Moreover, the COMSOL numerical tool has also been employed to evaluate and assess both the radical transfer and plasma discharge processes in the microreactor.
26

Intensification des procédés de synthèse des produits de contraste et application à leur fabrication industrielle en continu / Process intensification of contrast media synthesis and application to continuous industrial production

Dobrosavljevic, Ivana 01 July 2016 (has links)
Dans un contexte de croissance des diagnostics préventifs, la demande en produits de contraste augmente, tandis que leur prix de revient industriel doit être revu à la baisse pour des raisons de compétitivité. La voie de synthèse d’un produit de contraste à rayons X, molécule iodée aux branchements hydrophiles, comporte plusieurs réactions : certaines sont limitées par le transfert de matière (milieu réactionnel polyphasique) ou par le transfert de chaleur (réaction exothermique) tandis que d’autres sont limitées cinétiquement. Les performances des équipements continus intensifiés permettent de favoriser les phénomènes de transfert de matière et de chaleur, tout en garantissant une bonne sélectivité et reproductibilité. La chaine de synthèse globale est repensée en vue d’un passage en mode continu intensifié et les réactions à étudier en intensification locale sont classées par ordre de priorité selon leur potentiel d’intensification. A partir d’une approche combinée alliant résultats expérimentaux et simulation, des modèles réactionnels peuvent être construits pour orienter les essais, afin de converger rapidement vers des conditions opératoires menant aux performances souhaitées. La nouvelle voie de synthèse proposée mettra ainsi en jeu une alternance entre étapes continues et discontinues, ce qui induit des difficultés en termes de gestion de procédé. Une voie de synthèse entièrement soluble permettrait de contourner les limitations d’intensification dues à la présence de solides et d’envisager la chaine de synthèse globale en continu / Preventing diagnostics are increasing and so is the demand for contrast media while its industrial cost needs to be decreased for competitiveness reasons. The synthesis route for a contrast media used in X-ray medical imaging, an iodinated molecule with hydrophilic functional groups, is made of several reactions: some of them are limited by heat transfer (exothermic reactions) or/and mass transfer (multiple-phase media) while others are kinetically limited. The use of continuous intensified equipment leads to enhanced heat and mass transfer performances while keeping good selectivity and reproducibility. The synthesis route is globally modified in the first place in order to shift from batch to continuous intensified and the reactions are classified for local intensification studies. A combined approach based on experimental measurements and simulation enables the building of reaction models which can be used as a guideline for the experiments towards finding the operating conditions that lead to the desired performances at laboratory scale. The new synthesis route production is based on an alternation between continuous and discontinuous steps, which leads to difficult production management. New prospects are created with a new hydrophilic synthesis route, where the limitations for shifting from batch to continuous due to the presence of solids are solved and the whole synthesis route can be transferred from batch to continuous mode
27

Development of catalytic microreactors by plasma processes : application to wastewater treatment. / Elaboration de microréacteurs catalytiques par procédés plasmas : application au traitement de l'eau

Da Silva, Bradley 18 November 2015 (has links)
Un aspect clé permettant de surmonter les défis énergétiques et environnementaux est d'améliorer l'efficacité des nouveaux procédés. La plupart des produits chimiques majeurs se faisant par des procédés catalytiques, une meilleure compréhension des cinétiques de réaction est nécessaire. Dans le domaine du traitement des eaux usées, l'ozonation catalytique est en un exemple typique. Dans cette thèse, des microréacteurs catalytiques sont utilisés en tant qu’outils analytiques innovants afin de déterminer la cinétique de l'ozonation catalytique. Ceux-ci ont pu être élaborés à l'aide de procédés plasma en déposant et en activant un catalyseur à base d’oxyde de fer et de cobalt. L’efficacité de ces catalyseurs a été mesurée en utilisant de l'acide pyruvique en tant que polluant modèle. Pour Fe2O3, les mesures HPLC ont montré l'inactivité de celui-ci par rapport à Co3O4 (20%). Cet effet a été doublé après post-traitement par un plasma d'Ar, démontrant ainsi le rôle du plasma. Une simulation numérique portant sur les réactions à la surface du catalyseur a été réalisée en utilisant le logiciel Comsol Multiphysics. Le modèle utilisé s’est partiellement approché des données expérimentales en raison du manque de données concernant les constantes de réactions des espèces intermédiaires. Ces constantes cinétiques pourront être déterminées grâce à l'utilisation de la technique de spectroscopie Raman Anti-Stokes Cohérente (technique CARS) en tant qu’outil d'analyse en temps réel. En perspectives, l’utilisation de cette dernière conduira à l’élaboration d’un outil efficace qui pourrait prédire la pertinence et les futures stratégies d'amélioration sur des réactions chimiques catalysées. / A key aspect in overcoming the energy and environmental challenges is to improve the efficiency of existing and new processes. Nowadays, almost all major chemicals are produced by catalytic processes. However, a better understanding of the reaction pathways and kinetics is needed. In the field of wastewater treatment, catalytic ozonation is a typical example of this problem. In this study, catalytic microreactors were used as innovative analytical tools for the determination of kinetics of catalytic ozonation and were elaborated by using low pressure plasma processes for the deposition and activation of iron and oxide-based catalysts on polymer-based materials. Catalytic ozonation with pyruvic acid as a refractory probe compound was performed with both catalysts. HPLC measurements showed the inactivity of the iron oxide layer compared to the cobalt oxide one which led to 20 % of degradation. The effect was doubled when the latter was post-treated by an argon plasma, demonstrating the role and importance of the plasma post-treatment step. A numerical study dealing with the reactions taking place on the surface of the catalyst was carried out using the Comsol Multiphysics software and showed that the model partially fitted the experimental data due to the lack of information. However, access to the reactions rate constants of the intermediate species generated during the catalytic ozonation step could be achieved through the use of the Coherent Anti-Stokes Raman Spectroscopy technique and would lead to an efficient tool to predict the relevance and the direction of future improvement strategies regarding catalyzed chemical reactions.
28

Développement de microréacteur pour la synthèse de radio-traceurs pour l'imagerie médicale (TEP) / Developement of microreactors dedicated to electro-organic syntheses of probes molecules applied to medical imaging (PET scan)

Renault, Cyril 25 February 2011 (has links)
Cette étude concerne l'optimisation, la conception et la caractérisation de microréacteurs, de type multicanaux, appliqués à l'électrosynthèse organique de composés fluorés à intérêt médical tels que le 2-Fluoro- 2-Deoxy-D-Glucose (18FDG). Les microsystèmes ont connu un développement important ces dernières années dans le domaine de la chimie fine où la volonté est de développer des outils toujours plus compétitifs. Les microréacteurs appliqués à la synthèse offrent l’avantage d’un rapport surface sur volume de la zone réactionnelle élevé (> 100 cm-1), ce qui améliore nettement les transferts de masse et d’énergie et permet de traiter de très faibles quantités dans des conditions plus sûres et plus respectueuses de l’environnement. L’élément de base du microréacteur est souvent constitué d’un simple microcanal qu’il est nécessaire de dupliquer pour fournir le débit de production adapté à une application donnée. Ainsi, un microréacteur sera souvent composé d’une série de microcanaux disposés en parallèle et connectant un canal distributeur et un canal collecteur. Cette configuration peut entraîner une faible uniformité de la distribution de l’écoulement dans les différents microcanaux de réaction et il est particulièrement important d’optimiser la géométrie du microréacteur complet pour tendre vers une distribution uniforme des temps de séjour (DTS). Dans le cas de la synthèse électrochimique, les microcanaux sont directement gravés dans deux électrodes placées en vis-à-vis et séparées par une membrane échangeuse d’ions. Une optimisation préliminaire de la DTS au sein d’une électrode composée de microcanaux parallèles de section rectangulaire est réalisée. L’arrivée et la sortie du fluide s’effectue par l’intermédiaire de deux canaux distributeur et collecteur de section également rectangulaire, mais non constante. L’optimisation vise à déterminer une évolution linéaire optimale de la largeur de ces canaux distributeur et collecteur. Un modèle analytique basé sur des hypothèses simplificatrices permet de calculer les différentes pertes de charge ainsi que les débits dans chaque microcanal, dans le cas d’un écoulement laminaire de liquide. Les résultats obtenus sont ensuite confirmés par des simulations numériques 3-D, plus précises. Un modèle hybride combinant les simulations numériques pour les canaux distributeur et collecteur et le modèle analytique pour les microcanaux parallèles est également développé. Il permet d’augmenter la finesse du maillage dans les zones sensibles de l’écoulement, sans nécessité d’accroître les ressources informatiques (mémoire et temps de simulation). Les résultats obtenus montrent un très bon accord entre les simulations numériques 3-D, le modèle hybride et le modèle analytique. Sur un exemple de 10 microcanaux parallèles, il est montré que dans le cas de la géométrie initiale, pour laquelle les canaux collecteur et distributeur sont de section constante, des écarts de l’ordre de 50 % existent entre les débits traversant les microcanaux latéraux et centraux. Après optimisation, cet écart est réduit à moins de 0,1 %. Le modèle analytique est ensuite étendu au cas d’écoulements gazeux en prenant en compte les effets non linéaires et antagonistes de la raréfaction et de la compressibilité de l’écoulement. La raréfaction est ici caractérisée par un nombre de Knudsen compris entre 0 et 0,1 et se traduit pas des sauts de vitesse à la paroi ; les écoulements dans ce régime modérément raréfié sont alors correctement modélisés par les équations compressibles de Navier Stokes associées à des conditions de glissement du second ordre en Knudsen, en prenant en compte la géométrie tridimensionnelle des microcanaux de réaction et des canaux collecteur et distributeur. / This study focuses on the optimisation, design and characterization of microreactors, of multichannel type, applied to the organic electrosyntheses of fluorinated compounds of medical interest such as the 2-Fluoro-2-Deoxy-D-Glucose (18FDG). Microsystems have known an important development these last years in the field of fine chemicals where the aim is to develop increasingly competitive tools. The microreactors applied to synthesis offer a reaction zone with high surface to volume ratio (> 100 cm-1), which significantly improves mass and energy transfers and allows treating small quantities in safer conditions and a better respect of environment. The basic element of the microreactor is often composed of a single microchannel, which is necessary to duplicate in order to provide the suitable production rate for a given application. Thus, a microreactor is often composed of a series of microchannels arranged in parallel and connecting a distributing channel to a collecting one. This configuration can result in poor uniformity of flow distribution among the reaction microchannels and it is particularly important to optimize the geometry of the microreactor in order to obtain a uniform residence time distribution (RTD). In the case of electrochemical synthesis, microchannels are directly etched into two electrodes facing each other and separated by an ion exchange membrane. A preliminary optimisation of the RTD in an electrode composed of parallel microchannels with rectangular cross-section is performed. The fluid inlet and outlet are connected to a distributing and a collecting channel with non constant rectangular cross-section. The aim of the optimisation is to determine an optimal linear evolution of the width of the distributing and collecting channels. An analytical model based on simplifying assumptions allows calculating the various pressure drops and the flowrate in each microchannel, in the case of a laminar liquid flow. The obtained results are then confirmed by more accurate 3-D numerical simulations. A hybrid model combining numerical simulations for the distributing and collecting channels and the analytical model for the parallel microchannels is also developed. This model allows a more refined mesh in the sensitive areas of the flow, without requiring additional numerical effort (memory and simulation time). The results show a good agreement between the 3-D numerical simulations, the hybrid model and the analytical model. On an example of 10 parallel microchannels, it is shown that in the case of the initial geometry (with a constant cross-section of collecting and distributing channels), the flowrate difference through the lateral and the central microchannels is in the order of 50%. After optimization, this difference is reduced to less than 0.1%. The analytical model is then extended to the case of gas flows, taking into account nonlinear and antagonist effects of rarefaction and compressibility. Rarefaction is characterized by the value of the Knudsen number which remains lower than 0.1; the flow in this moderately rarefied regime is accurately modelled by the compressible Navier-Stokes equations associated with second-order slip boundary conditions, taking into account the three-dimensional geometry of the reaction microchannels and of the collecting and distributing channels.
29

Controlling Adsorption Properties of Metal-Organic Framework Particles through Synthesis Protocols / 精密合成に立脚した多孔性配位錯体微粒子の吸着特性制御

Fujiwara, Atsushi 23 March 2021 (has links)
京都大学 / 新制・課程博士 / 博士(工学) / 甲第23233号 / 工博第4877号 / 新制||工||1761(附属図書館) / 京都大学大学院工学研究科化学工学専攻 / (主査)教授 宮原 稔, 教授 佐野 紀彰, 教授 松坂 修二 / 学位規則第4条第1項該当 / Doctor of Philosophy (Engineering) / Kyoto University / DGAM
30

Mikrofluidní reaktory pro chemickou syntézu / Microfluidic reactors for chemical synthesis

Jaklová, Natalie January 2021 (has links)
The main topic of the Diploma Thesis is the conversion of the batch N-alkylation reaction into a continuous regime. It is the reaction of 10α-methoxydihydrolysergic acid methyl ester to 1-methyl-10α-methoxydihydrolysergic acid methyl ester. It represents one step in the industrial synthesis of Nicergoline, a pharmaceutical used for senile dementia treatment. This methylation reaction is performed in two immiscible liquid phases. Phase-transfer catalysis is used to increase the efficiency of the reaction, which allows the reaction to proceed in the entire volume of the organic solvent, not only at the phase interface. The reaction is rapid, with an exothermic character. The advantages of continuous arrangement are better control of the reaction, increased operational safety due to handling smaller volumes of reaction components, and more intensive removal of heat of the reaction. The Thesis deals with the influence of reaction conditions on the course of the reaction in a microfluidic reactor. The glass microchip reactor was chosen to perform the reaction in a flow arrangement. This reactor could produce up to grams of the product per hour. Several series of experiments were performed on this apparatus. The conversion of the starting material, and selectivities to the product and the side products...

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