<p>This study, motivated by biomedical applications such as drug delivery and adsorption, is aimed at describing magneto- and dielectro-phoretic systems via dimensional analysis to quantitatively assess the relative contribution of hydrodynamics, electromagnetism, and particle dynamics. Magnetophoresis and dielectrophoresis, phenomena of magnetic and dielectric particle transports, respectively, have been used in various applications requiring selective collecting or separating magnetic particles, especially in microfluidic systems.</p> <p>A multiphysics computational model for a magnetophoretic system was developed to assess magnetophoretic characteristics. The magnetically induced mobility of the magnetic particles was simulated for a range of parameters relevant in biomedical applications, including the particle and fluid properties, fluid velocity, and geometries of the particle, flow channel, and magnet. With the help of dimensional analysis, dimensionless numbers were introduced to reduce the number of parameters characterizing the transport of the particles suspended in an electrically non-conducting fluid exposed to an external magnetic field. As a result, 14 relevant variables determining the particle capture were reduced to only 3 dimensionless numbers describing the magnetophoretic system. The results from multiphysics models supported this analysis, suggesting a scaling law. The functional relationship among the dimensionless numbers resulted in prediction curves to assess the particle capture. The performance of the magnetophoretic system predicted with the dimensional analysis was verified in comparison with the available experimental data. In addition, the dimensionless numbers introduced here were compared with established numbers in magnetohydrodynamics (MHD).</p> <p>These theoretical and parametrical analyses of the magnetophoretic system were applied to the novel magnetic filter proposed to capture the drug-loaded small magnetic particles (MPs) from the bloodstream during the Intra-Arterial Chemotherapy (IAC). The IAC is a preferred treatment for unresectable hepatocellular carcinoma (HCC), the primary liver cancer. In the IAC procedure, chemotherapeutic agents, e.g. doxorubicin (Dox), are administered via a catheter placed in an artery supplying the tumor. The effectiveness of the IAC, however, is limited due to the passage of excessive chemotherapy agents to the blood circulation after their effect on the tumor, causing systemic toxicity. To remove the excessive drugs, the endovascular filtration devices have been developed. The proposed magnetic filtration device could be deployed from a catheter placed in the hepatic vein or inferior vena cava (IVC) to remove the excessive Dox from the bloodstream. The Ferumoxytol approved by the FDA is one of the types of the ultrasmall superparamagnetic iron oxide (USPIO) particles. The excessive Dox-coated USPIO can be filtered by a magnetic catheter-based device generating an external magnetic field. The filter utilizing magnetic fields is a promising method for therapeutic applications since an influence of magnetic field reaches comparatively wide ranges and magnetic fields do not affect biological tissues. To optimize the design, efficacy, and performance of the proposed magnetic filtration device, numerical models were developed based on the proposed dimensionless numbers characterizing drug transport and binding. Drug adsorption can be optimized by modifying magnetic field distribution and device configuration. To enhance the filtering up to 70-80 % of the excessive drug, multi-stage filters were developed by optimizing magnet configuration and flow patterns. By decreasing the concentration of toxins in the cardiovascular system, the drug dosage can be increased while reducing side effects, thus improving the effectiveness of the IAC treatment.</p> <p>In addition, new dimensionless numbers for dielectrophoresis analogous to magnetophoresis were introduced for a range of applications. The proposed dimensionless numbers for dielectrophoresis were evaluated for several conditions and compared with the previously established numbers in electrohydrodynamics (EHD). </p> <p>This study provides a promising framework for analyzing and predicting performance of various magneto- and dielectro-phoretic systems for a range of applications, particularly in biomedicine such as –drug filtering, targeted drug delivery, or small particle separation–, thus providing a reliable methodology for predicting particle manipulation. </p>

<p>In this work, two overarching global crises are addressed with an engineering lens; the COVID-19 pandemic and climate change. Regarding the latter, an investigation is completed into the fluxes of CO2 in the wake of a simple wind farm for identification of potentially beneficial siting of Direct Capture of CO2. In this analysis, large-eddy simulations are used to quantify scalar entrainment in the turbines’ wake for several empirical CO2 profiles. In instances with positive or a combination of CO2 gradients, it was found that the concentration of CO2 increased in wake through downward mixing and entrainment. In a negative CO2 gradient, the opposite was found, with the wind turbine mixing away the increased surface<br> concentration and entraining down lower concentration air from above. These findings were used to make recommendations on scenarios in which wind turbines were beneficial to Direct Capture plants.<br> In addition, as part of the ongoing response to the COVID-19 pandemic, an innovative new technology was designed and constructed; a prototype photoacoustic spectrometer for the rapid detection of viruses. With the vision to become a viral "breathalyzer", the primary stage of development involved the creation of a prototype for proof-of-concept of viral detection using PAS. An extensive literature review was completed to determine optimal<br> design, with several distinct innovations integrated with the end-product in mind; such as a pure silicon resonator cell and a light-emitting diode source for low-cost, portable detection.<br> This was estimated to be of sufficient quality to detect single virions, as found through Finite Element Analysis.<br> Additionally, the validation of a proposed improvement on the medical mask, named Hy-Cu, is shown. Through various tests, Hy-Cu was found to have greater breathability than KN95 or surgical masks, as well as comparable efficiency in filtration of viral droplets.<br> Additionally, the novel inclusion of a diamond-like carbon-coated copper mesh layer resulted in viral inactivation of 99% after a period of 2 hours, allowing Hy-Cu to be safely reused without risk of transmission.<br> </p> <p> </p>

<p dir="ltr">Generation IV high-temperature gas-cooled reactors (HTGR) are designed to exhibit passive safety under all off-normal circumstances. One such scenario, known as depressurized loss of forced circulation (DLOFC), occurs after a break in the coaxial inlet/outlet header. As the headers are traditionally located at the base of the reactor vessel, the low-density helium coolant is preserved in the core following the initial rupture accident. Upon depressurization, however, air from the surrounding reactor environment slowly enters the coolant channel through molecular diffusion. As the incoming fluid continues to deplete the helium concentration, the onset of natural circulation (ONC) can occur causing bulk air ingress leading to the oxidation and degradation of core components. Therefore, investigating methods to improve the time to ONC is critical in impeding reactor core component damage brought about by DLOFC in an HTGR.</p><p dir="ltr">The Transformational Challenge Reactor (TCR) has similar features to those of an HTGR, but the primary difference is the use of a more complex, additively manufactured (AM) fuel geometry. The more compact, AM, ceramic fuel elements can be conveniently produced with optimally configured channels that suppress the air ingress progress and improve thermofluidic performance. DLOFC and air ingress are experimentally studied in a scaled HTGR flow test setup. Distributed temperature measurements and time to ONC data are collected for the experiments conducted. Multiple geometries are analyzed throughout the investigation. The thermal transient and time to ONC data gathered for the different test geometries and temperatures are compared. The results show that the AM and pebble bed elements deter ONC significantly longer than the baseline geometry representative of a prismatic fuel coolant channel. The AM part delayed ONC as compared to the pebble bed test piece at higher temperatures. The distributed temperature sensor shows intra-leg circulation at higher temperature tests.</p><p dir="ltr">Thermophysical properties of the 316 stainless steel AM component are compared to those of a standard 316 stainless steel round bar. The properties ascertained include the density, emissivity, specific heat, and thermal conductivity. The density of the AM part is 1.5% greater than the density of the standard bar. The emissivity of the AM part is determined to be over three times greater than the emissivity of the polished standard stainless steel round. The specific heat of the AM element is 16% greater than that of the standard 316 stainless steel specific heat. The thermal conductivity of the AM component is measured to be within 1.5% of the standard 316 stainless steel round bar thermal conductivity.</p>

<p dir="ltr">Gas turbines are widely used to provide propulsion, electrical-power, and mechanical power. Though tremendous advances have been made since Frank Whittle’s patent of a turbojet in 1930 and Hans von Ohain’s patent of the first operational turbojet in 1936, industry still has aggressive goals on improvements in efficiency and service life. One area where further advances are needed is better control of the flow across the gap between the blade tip and the shroud, referred to as tip-leakage flow (TLF). This is because TLF accounts for up to one-third of the aerodynamic losses in a turbine stage.</p><p dir="ltr">In this study, hybrid LES-RANS based on IDDES and steady RANS based on the SST turbulence model were used to study the compressible flow in a 1.5-stage turbine with geometry and operating conditions that are relevant to power-generation gas turbines. The focus is on the flow in the tip-gap region that account for the flow features created by the upstream stator vanes, stator-rotor interactions, and downstream stator vanes. Results obtained reveal the flow structures about the tip-gap region and the flow mechanisms that create them. Results obtained also show where steady RANS with mixing plane could predict correctly when compared with results from IDDES that resolve the unsteadiness of the turbulence and the motion of the rotor blades passing the stator vanes. Turbulent statistics from the IDDES were generated to guide the development of better RANS models. Results were also obtained by using RANS to examine the effects of blade loading, where mass flow rate through the 1.5 stage turbine was varied with the rotor’s rotational speed fixed at 3,600 RPM – the speed at which power-generation gas turbines operate in the U.S.</p><p dir="ltr">Key findings are as follows: In the first-stage stator, horseshoe, passage, and corner vortices were found to be confined within 10 to 15% span from the hub and shroud, and both steady RANS and IDDES generated similar results. Steady RANS and IDDES, however, differed considerably in how they predicted the wake downstream of the vane’s trailing edge. This coupled with the use of mixing plane, steady RANS was unable to account for effects of stator-rotor interactions and their effects on the tip-leakage flow. In the rotor, steady RANS predicted passage vortices that extended up to 50% span from the hub and 25% span from the shroud. The flow through the tip gap was found to induce a separation bubble on the blade tip and one large and two small vortical structures on the suction side of the blade and a vortical structure next to the shroud. These structures were found to grow along the axial chord of the blade. Steady RANS also predicted the large tip leakage vortex that contained the fluid from the tip-leakage flow to breakdown. IDDES did not predict the vortex breakdown because all of the coherent vortical structures identified including the separated region on the blade tip were unsteady and constantly shedding. As a result, IDDES predicted much smaller mean passage vortices – albeit the instantaneous structures were nearly as large as those predicted by steady RANS.</p>

A compact air separator demonstrator based on centrifugally enhanced distillation has been studied. The full size device is meant to be used on board of a Two Stage To Orbit vehicle launcher. The air separation system must be able to extract oxygen in highly concentrated liquid form (LEA, Liquid Enriched Air) from atmospheric air. The LEA is stored before being used in a subsequent rocket propulsion phase by the second stage of the launcher. Two reference vehicles are defined, one with a subsonic first stage and one with a supersonic first stage. In both cases, oxygen collection is performed during a cruise phase (M 0.7 and M 2.5 respectively). The aim of the project is to demonstrate the feasibility of the air separation system, investigate the separation cycle design, and assess that the separator design selected is suitable for the reference vehicles.<p><p>The project is described from original base ideas to design, construction, extended testing and analysis of experimental results. Preliminary computations for a realistic layout have been performed and the motivations for the choices made during the process are explained. Test rig design, separator design and technical discussion are provided for a subscale pilot unit. Mass transport parameters and flooding limits have been estimated and experimentally measured. Performance has been assessed and shown to be sufficient for the reference Two Stage To Orbit vehicles. The technology developed is found suitable without further optimization, although some volume and mass reduction would be desirable for the supersonic first stage concept. There are many ways of optimisation that can be further investigated. The aim of this program, however, is not to fully optimize the device, but to demonstrate that a device based on a simple, robust, low-risk design is already suitable for the launch vehicles. On top of that analysis, directions for improvements are suggested and their potentials estimated. A complete assessment of those improvements requires further maturation of the technological concept through further testing and practical implementations.<p><p>Directions for future work, general conclusions and a vehicle development roadmap have also been provided.<p> / Doctorat en Sciences de l'ingénieur / info:eu-repo/semantics/nonPublished

<p dir="ltr">Positive displacement machines are used in various industries spanning the power spectrum, from industrial robotics to heavy construction equipment to aviation. These machines should be highly efficient, compact, and reliable. It is very advantageous for designers to use virtual simulations to design and improve the performance of these units as they significantly reduce cost and downtime. The recent trends of electrification and the goal to increase power density force these units to work at higher pressures and higher rotational speeds while maintaining their efficiencies and reliability. This push means that the simulation models need to advance to account for various aspects during the operation of these machines. </p><p dir="ltr">These machines typically have several bodies in relative motion with each other. Quantifying these motions and solving for their effect on the fluid enclosed are vital as they influence the machine's performance. The push towards higher rotational speeds introduces unwanted cavitation and aeration in these units. To model these effects, keeping the design evaluation time low is key for a designer. The lumped parameter approach offers the benefit of computational speed, but a major drawback that comes along with it is that it typically assumes fluid inertia to be negligible. These effects cannot be ignored, as quantifying and making design considerations to negate these effects can be beneficial. Therefore, this thesis addresses these key challenges of cavitation dynamics, body dynamics, and accounting for fluid inertia effects using a lumped parameter formulation.</p><p dir="ltr">To account for dynamics features related to cavitation, this thesis proposes a novel approach combining the two types of cavitation, i.e., gaseous and vaporous, by considering that both vapor and undissolved gas co-occupy a spherical bubble. The size of the spherical bubble is solved using the Rayleigh-Plesset equation, and the transfer of gas through the bubble interface is solved using Henry's Law and diffusion of the dissolved gas in the liquid. These equations are coupled with a novel pressure derivative equation. To account for body dynamics, this thesis introduces a novel approach for solving the positions of the bodies of a hydraulic machine while introducing new methods to solve contact dynamics and the application of Elasto Hydrodynamic Lubrication (EHL) friction at those contact locations. This thesis also proposes strategies to account for fluid inertia effects in a lumped parameter-based approach, taking as a reference an External Gear Machine. This thesis proposes a method to study the effects of fluid inertia on the pressurization and depressurization of the tooth space volumes of these units. The approach is based on considering the fluid inertia in the pressurization grooves and inside the control volumes with a peculiar sub-division. Further, frequency-dependent friction is also modeled to provide realistic damping of the fluid inside these channels.</p><p dir="ltr">To show the validity of the proposed dynamic cavitation model, the instantaneous pressure of a closed fluid volume undergoing expansion/compression is compared with multiple experimental sources, showing an improvement in accuracy compared to existing models. This modeling is then further applied to a gerotor machine and validated with experiments. Integrating this modeling technique with current displacement chamber simulation can further improve the understanding of cavitation in hydraulic systems. Formulations for body dynamics are tested on a prototype Gerotor and Vane unit. For both gerotor and vane units, comparisons of simulation results to experimental results for various dynamic quantities, such as pressure ripple, volumetric, and hydromechanical efficiency for multiple operating conditions, have been done. Extensive validation is performed for the case of gerotors where shaft torque ripple and the motion of the outer gear is experimentally validated. The thesis also comments on the distribution of the different torque loss contributions. The model for fluid inertia effects has been validated by comparing the lumped parameter model with a full three-dimensional Navier Stokes solver. The quantities compared, such as tooth space volume pressures and outlet volumetric flow rate, show a good match between the two approaches for varying operating speeds. A comparison with the experiments supports the modeling approach as well. The thesis also discusses which operating conditions and geometries play a significant role that governs the necessity to model such fluid inertia effects in the first place.</p>

La micro-oxygénation des vins, par la dispersion de bulles d’oxygène, est une pratique de plus en plus utilisée dans le domaine de l’œnologie. Cette technique n’est pas toujours convenablement maitrisée par manque de connaissances scientifiques sur les paramètres régissant le transfert de l’oxygène. La recherche s'est focalisée sur l'étude des coefficients de transfert en fonction des composés du vin (CO2, éthanol, sucrose, consommateurs d’oxygène) et des conditions opératoires (type de diffuseur, température, rapport entre hauteur et diamètre du contenant de liquide). Les résultats montrent que lors de la micro-oxygénation, le dioxyde de carbone dissous et le sucrose ont une incidence négative sur le transfert alors que la présence d’éthanol améliore le transfert. En ce qui concerne les conditions opératoires, l’augmentation de débit de gaz et l’augmentation de rapport entre la hauteur et le diamètre de la cuve de micro-oxygénation joue positivement sur le transfert d’oxygène La surface spécifique des bulles et le coefficient de transfert de matière ont pu être dissociés pour les vins. La nature tensio-active des composés du vin semble être un élément important sur le transfert de matière. Les connaissances acquises ont été appliquées à la micro-oxygénation au cours de deux étapes de l'élaboration des vins : la fermentation alcoolique avec la maitrise de l’apport d’oxygène et la simulation de la technique d’élevage en barrique par micro-oxygénation couplée à l’ajout de copeaux de bois. Une nouvelle approche concerne l'étude d'un contacteur membranaire qui permet le transfert d’oxygène par diffusion. / Micro-oxygenation of the wines, by the dispersion of oxygen bubbles, is a practice increasingly used in oenology. This technique is not always suitably controlled for lack of scientific knowledge on the parameters governing the transfer of oxygen. Research was focused on the study of transfer coefficients in function of wine components (CO2, ethanol, sucrose, consuming oxygen) and of operating conditions (type of diffuser, temperature, relationship between height and diameter of the container of liquid). The results show that during micro-oxygenation, the dissolved carbon dioxide and the sucrose have a negative incidence on the transfer whereas the presence of ethanol improves the transfer. As operating conditions are concerned, the increase in gas output and the increase in micro-oxygenation tank height/diameter ratio positively influence oxygen transfer. For wines, the specific surface of the bubbles and the mass transfer coefficient could be dissociated. The surfactant nature of wine components seems to be the most important factor in mass transfer. The knowledge so acquired was applied to micro-oxygenation during two stages of wine making: alcoholic fermentation with the oxygen yield control and the simulation of ageing technique in barrels coupled with the wood chips addition. A new approach relates to the study of a membrane contactor application allowing the oxygen transfer by diffusion.

Cette étude est dédiée à l'amélioration du design des microréacteurs gaz-liquide. Le terme de microréacteur correspond à des appareils composés de canaux dont les dimensions sont de l’ordre de quelques dizaines à quelques centaines de microns. Grâce à la valeur importante du ratio surface/volume, ces appareils constituent une issue prometteuse pour contrôler les réactions rapides fortement exothermiques, souvent rencontrées en chimie fine et pharmaceutique. Dans le cas des systèmes gaz-liquide, on peut citer par exemple les réactions de fluoration, d’hydrogénation ou d’oxydation. Comparés à des appareils conventionnels, les microréacteurs permettent de supprimer le risque d’apparition de points chauds, et d’envisager le fonctionnement dans des conditions plus critiques, par exemple avec des concentrations de réactifs plus élevées. En même temps, la sélectivité peut être augmentée et les coûts opératoires diminués. Ainsi, les technologies de microréacteurs s’inscrivent bien dans les nouveaux challenges auxquels l'industrie chimique est confrontée ; on peut citer en particulier la réduction de la consommation énergétique et la gestion des stocks de produits intermédiaires. Les principaux phénomènes qui doivent être étudiés lors de la conception d’un microréacteur sont le transfert de matière et le transfert thermique. Dans les systèmes diphasiques, ces transferts sont fortement influencés par la nature des écoulements, et l'hydrodynamique joue donc un rôle central. Par conséquent, nous avons focalisé notre travail sur l’hydrodynamique de l’écoulement diphasique dans les microcanaux et sur les couplages constatés avec le transfert de masse. Dans ce contexte, nous nous sommes dans un premier temps intéressés aux régimes d’écoulement et aux paramètres contrôlant la transition entre les différents régimes. Au vu des capacités de transfert de matière et à la flexibilité offerte en terme de conditions opératoires, le régime de Taylor semble le plus prometteur pour mettre en œuvre des réactions rapides fortement exothermiques et limitées par le transfert de matière. Ce régime d'écoulement est caractérisé par des bulles allongées entourées par un film liquide et séparées les unes des autres par une poche liquide. En plus du fait que ce régime est accessible à partir d’une large gamme de débits gazeux et liquide, l'aire interfaciale développée est assez élevée, et les mouvements de recirculation du liquide induits au sein de chaque poche sont supposés améliorer le transport des molécules entre la zone interfaciale et le liquide. A partir d'une étude de l’hydrodynamique locale d’un écoulement de Taylor, il s’est avéré que la perte de charge et le transfert de matière sont contrôlés par la vitesse des bulles, et la longueur des bulles et des poches. Dans l’étape suivante, nous avons étudié l'influence des paramètres de fonctionnement sur ces caractéristiques de l’écoulement. Une première phase de notre travail expérimental a porté sur la formation des bulles et des poches et la mesure des champs de vitesse de la phase liquide dans des microcanaux de section rectangulaire. Nous avons également pris en compte le phénomène de démouillage, qui joue un rôle important au niveau de la perte de charge et du transfert de matière. Des mesures du coefficient de transfert de matière (kLa) ont été réalisées tandis que l'écoulement associé était enregistré. Les vitesses de bulles, longueurs de bulles et de poches, ainsi que les caractéristiques issues de l’exploitation des champs de vitesse précédemment obtenus, ont été utilisées afin de proposer un modèle modifié pour la prédiction du kLa dans des microcanaux de section rectangulaire. En mettant en évidence l'influence du design du microcanal sur l’hydrodynamique et le transfert de matière, notre travail apporte une contribution importante dans le contrôle en microréacteur des réactions rapides fortement exothermiques et limitées par le transfert de matière. De plus, ce travail a permis d'identifier certaines lacunes en termes de connaissance, ce qui devrait pouvoir constituer l'objet de futures recherches. / The present project deals with the improvement of the design of gas-liquid microreactors. The term microreactor characterizes devices composed of channels that have dimensions in the several tens to several hundreds of microns. Due to their increased surface to volume ratios these devices are a promising way to control fast and highly exothermic reactions, often employed in the production of fine chemicals and pharmaceutical compounds. In the case of gas-liquid systems, these are for example direct fluorination, hydrogenation or oxidation reactions. Compared to conventional equipment microreactors offer the possibility to suppress hot spots and to operate hazardous reaction systems at increased reactant concentrations. Thereby selectivity may be increased and operating costs decreased. In this manner microreaction technology well fits in the challenges the chemical industry is continuously confronted to, which are amongst others the reduction of energy consumption and better feedstock utilization. The main topics which have to be considered with respect to the design of gasliquid μ-reactors are heat and mass transfer. In two phase systems both are strongly influenced by the nature of the flow and thus hydrodynamics play a central role. Consequently we focused our work on the hydrodynamics of the two-phase flow in microchannels and the description of the inter-linkage to gas-liquid mass transfer. In this context we were initially concerned with the topic of gas-liquid flow regimes and the main parameters prescribing flow pattern transitions. From a comparison of flow patterns with respect to their mass transfer capacity, as well as the flexibility offered with respect to operating conditions, the Taylor flow pattern appears to be the most promising flow characteristic for performing fast, highly exothermic and mass transfer limited reactions. This flow pattern is characterized by elongated bubbles surrounded by a liquid film and separated from each other by liquid slugs. In addition to the fact that this flow regime is accessible within a large range of gas and liquid flow rates, and has a relatively high specific interfacial area, Taylor flow features a recirculation motion within the liquid slugs, which is generally assumed to increase molecular transport between the gas-liquid interface and the bulk of the liquid phase. From a closer look on the local hydrodynamics of Taylor flow, including the fundamentals of bubble transport and the description of the recirculation flow within the liquid phase, it turned out that two-phase pressure drop and gas-liquid mass transfer are governed by the bubble velocity, bubble lengths and slug lengths. In the following step we have dealt with the prediction of these key hydrodynamic parameters. In this connection the first part of our experimental study was concerned with the investigation of the formation of bubbles and slugs and the characterization of the liquid phase velocity field in microchannels of rectangular cross-section. In addition we also addressed the phenomenon of film dewetting, which plays an important rôle concerning pressure drop and mass-transfer in Taylor flow. In the second part we focused on the prediction of gas-liquid mass transfer in Taylor flow. Measurements of the volumetric liquid side mass transfer coefficient (kLa-value) were conducted and the related two-phase flow was recorded. The measured bubble velocities, bubble lengths and slug lengths, as well as the findings previously obtained from the characterization of the velocity field were used to set-up a modified model for the prediction of kLa-values in μ-channels of rectangular cross-section. Describing the interaction of channel design hydrodynamics and mass transfer our work thus provides an important contribution towards the control of the operation of fast, highly exothermic and mass transfer limited gas-liquid reactions in microchannels. In addition it enabled us to identify gaps of knowledge, whose investigation should be items of further research.

Les gaz issus de la combustion des énergies fossiles dans les centrales électriques contiennent une grande variété de polluants tels que les gaz-acides et ne peuvent être rejetés directement dans l'atmosphère. Ces polluants gazeux doivent être traités par des méthodes de captage en post combustion dans des colonnes d'absorption utilisant des solvants chimiques. L'objectif est donc de concevoir une unité d'élimination sélective des gaz-acides tels que CO2, H2S et COS en utilisant des solvants de la famille des alcanolamines. Cette thèse développe dans un premier temps, un modèle de non-équilibre, adapté aux systèmes multiconstituants électrolytiques et réactifs, pour la représentation des colonnes d'absorption réactive. Le modèle comporte des modules pour représenter la thermodynamique en espèces vraies (espèces ioniques et moléculaires), le transfert simultané de masse et de chaleur, et les réactions chimiques. Les équations généralisées de Maxwell-Stefan sont utilisées pour quantifier les interactions multiconstituants lors de la diffusion. Le schéma réactionnel est intégralement pris en compte dans la phase liquide, et les réactions chimiques peuvent être cinétiquement contrôlées ou à l'équilibre chimique instantané. La séparation réactive en régime permanent est ainsi simulée avec une description rigoureuse des phénomènes de réaction-diffusion dans les films diffusionnels. Dans un deuxième temps, une installation pilote de captage du CO2 par une solution aqueuse de diéthanolamine est mise en fluvre pour la validation expérimentale du modèle. La diéthanolamine a une forte réactivité vis-à-vis du CO2; ceci engendre un profil important de concentration du soluté dans la colonne. Le pilote est dédié à la validation de modèle, il est donc équipé de plusieurs unités d'échantillonnage gaz et liquide à différentes hauteurs de garnissage. Les profils longitudinaux de la concentration du CO2 en gaz et en liquide, de l'humidité absolue et de la température liquide peuvent être établis expérimentalement et être comparés avec ceux provenant de la simulation. L'outil de simulation validé devient alors un outil de prédiction de l'efficacité des unités réelles de captage par l'absorption réactive. / The exhaust gases coming from the combustion of fossil fuels in power plants contain a wide variety of pollutants such as acid gases and can not be discharged directly into the atmosphere. These gaseous pollutants must be treated by postcombustion capture methods in absorption columns using chemical solvents. The objective is then to design a selective removal unit of acid-gases such as CO2, H2S and COS by using solvents of the alkanolamine family. This thesis develops as the first step, a non-equilibrium model, adapted to multicomponent electrolytic and reactive systems, for the representation of reactive absorption columns. The model includes modules to represent the thermodynamics on the basis of true species (ionic and molecular species), the simultaneous heat and mass transfer, and the chemical reactions. The generalized equations of Maxwell-Stefan are used to take into account the multicomponent interactions during diffusion. The reaction scheme is fully included in the liquid phase, and the chemical reactions can be kinetically controlled or at instantaneous equilibrium. The reactive separation at steady-state conditions is then simulated with a rigorous description of the reaction-diffusion phenomena in diffusional films. In the second step, a pilot plant of CO2 capture with an aqueous solution of diethanolamine is implemented for experimental validation of the model. Diethanolamine has high reactivity with respect to CO2; this generates an important concentration profile of solute in the column. The pilot plant is dedicated to model validation; it is equipped with several gas and liquid sampling units at different heights of packing. The longitudinal profiles of the gas and liquid CO2 concentration, the absolute humidity and the liquid temperature can be established experimentally and compared with those from the simulation. The validated simulation tool then becomes a tool to predict the effectiveness of real capture units by reactive absorption.

Waste heat recovery is a multi-billion-dollar industry with a compound annual growth rate of 8.8% assessed between 2016 to 2024 and low-grade waste heat (< 230^oC ± 20^oC) makes up 66% of this ubiquitous resource. Thermoelectric generators are preferred for the recovery process because they are cheap and are well suited for this temperature range. They generate power by converting thermal potential to electric potential, known as the Seebeck effect. Since they have no moving parts, they are inherently immune to mechanical failure or an intermittent need for maintenance. However, the challenge has been to effectively harvest waste heat with these modules to generate power, using passive processes. This work is focused on designing a device for optimized harvesting of waste energy from the ambient with a custom, evaporatively-cooled heat sink. This heat sink is designed to passively handle the cooling of the other side of the thermoelectric module so as to enable the attainment of a minimum of 5V, which is the minimum voltage required to power small mobile devices. The heat sink model is similar to a loop heat pipe but engineered for compactness. To ensure this level of efficacy is attained, several studies are made to optimize the wick. Non-metal wicks were considered as they do not contribute to an increase in temperature of the compensation chamber in loop heat pipes. A non-metal wick integrated with nanoparticles is tested and results show a clear thermal management enhancement over similar but virgin non-metal wicks, at over 16%. The heat source section of the device is optimized for energy-harvesting in low grade temperature regimes by incorporating a near-black body coating on the metal heat source section. Experimental results show that both the heat source and sink sections were able to induce sufficient thermal potential for the thermoelectric modules to passively generate up to 5V using eight 40mm by 40mm Bismuth Telluride modules in 3.5 minutes. The prototype is relatively cheap, inherently reliable and presents the possibility of passively harvesting low-grade waste heat for later use, including powering small electronic devices.