Global ETD Search

21	Multiscale Modeling of Molecular Sieving in LTA-type Zeolites : From the Quantum Level to the Macroscopic Mace, Amber January 2015 (has links) LTA-type zeolites with narrow window apertures coinciding with the approximate size of small gaseous molecules such as CO2 and N2 are interesting candidates for adsorbents with swing adsorption technologies due to their molecular sieving capabilities and otherwise attractive properties. These sieving capabilities are dependent on the energy barriers of diffusion between the zeolite pores, which can be fine-tuned by altering the framework composition. An ab initio level of theory is necessary to accurately describe specific gas-zeolite interaction and diffusion properties, while it is desirable to predict the macroscopic scale diffusion for industrial applications. Hence, a multiscale modeling approach is necessary to describe the molecular sieving phenomena exhaustively. In this thesis, we use several different modeling methods on different length and time scales to describe the diffusion driven uptake and separation of CO2 and N2 in Zeolite NaKA. A combination of classical force field based modeling methods are used to show the importance of taking into account both thermodynamic, as well as, kinetic effects when modeling gas uptake in narrow pore zeolites where the gas diffusion is to some extent hindered. For a more detailed investigation of the gas molecules’ pore-to-pore dynamics in the material, we present a procedure to compute the free energy barriers of diffusion using spatially constrained ab initio Molecular Dynamics. With this procedure, we seek to identify diffusion rate determining local properties of the Zeolite NaKA pores, including the Na+-to-K+ exchange at different ion sites and the presence of additional CO2 molecules in the pores. This energy barrier information is then used as input for the Kinetic Monte Carlo method, allowing us to simulate and compare these and other effects on the diffusion driven uptake using a realistic powder particle model on macroscopic timescales. / <p>At the time of the doctoral defense, the following paper was unpublished and had a status as follows: Paper 4: Manuscript.</p> CO2 separation carbon capture kinetic sieving Zeolite A Zeolite NaKA cation exchange temporal coarse graining Kinetic Monte Carlo Molecular Dynamics AIMD DFT
22	Composition, degradation and stabilization of soil organic matter along an elevation gradient of Mount Kilimanjaro Ndossi, Emanueli Mathayo 20 December 2019 (has links) No description available. 630 Soil organic matter lignin monomers Kilimanjaro ecosystem biomarkers composition soil aggregate size catalytic efficiency dry sieving agricultural practices Forstwirtschaft (PPN621305413)
23	Effects of the Base Cation Saturation Ratio Approach to Soil Management on Weeds and Crop Yield, and Improved Methodology for Measuring Soil Aggregate Stability Leiva Soto, Andrea 29 September 2022 (has links) No description available. Agriculture Agronomy Soil Sciences Soil balancing BCSR soil calcium soil magnesium gypsum epsom weed seedbank soil pH limestone soil aggregates wet sieving
24	Modelagem Fenomenológica do Escoamento de Fluido de Perfuração em Peneiras Vibratórias / Phenomenological Modeling of Drilling Fluid Flow in Vibratory Screens Pereira, Monique Cristina Viana 30 August 2017 (has links) FAPEMIG - Fundação de Amparo a Pesquisa do Estado de Minas Gerais / Petrobrás - Petróleo Brasileiro S.A / Os fluidos de perfuração são substâncias injetadas no poço cuja principal função é trazer à superfície os cascalhos de rocha produzidos durante a perfuração. A separação e a reutilização do fluido de perfuração são de suma importância para que se atenda às exigências da legislação ambiental em relação ao descarte de resíduos. Além disso, é imprescindível a recuperação do fluido utilizado por questões de redução de custos da etapa de perfuração. O objetivo do presente estudo foi desenvolver um modelo matemático para a separação entre cascalho e fluido de perfuração por peneiras vibratórias com base nos princípios da dinâmica newtoniana e da lei de conservação de massa. Para tanto a tela da peneira foi considerada um leito empacotado de espessura muito fina e com inclinação ascendente. Correlações para a queda de pressão foram analisadas e uma nova correlação foi proposta com base em metodologias indicadas na literatura. O comportamento do fluido foi avaliado para a variação nos seguintes parâmetros: viscosidade plástica, tensão limite de escoamento, coeficiente de escoamento, inclinação da tela e força-g. O modelo não se mostrou sensível a variações na tensão limite de escoamento do fluido. Os demais parâmetros mostraram significativa influência sobre o comprimento de tela molhada. Os resultados obtidos estão de acordo com o relatado pela literatura e mostram que o modelo desenvolvido é adequado para a descrição do processo de peneiramento vibratório. / Drilling fluids are substances injected into the well whose main function is to suspend drilled solids, remove them from the well bore and release them at the surface. Separation and reuse of drilling fluids is of great importance to fulfill the requirements of environmental legislation regarding waste disposal. In addition, it is essential to recover the drilling fluid in order to reduce costs of the drilling process. The objective of the present study was to develop a mathematical model based on the principles of Newtonian dynamics and the law of mass conservation for the process of removal of drilled cuttings from drilling fluid using vibrating screens. For this purpose, the sieve screen was considered to be a very thin packed bed and tilted upward. Pressure drop correlations were analyzed and a new correlation was proposed based on methodologies indicated in the literature. The behavior of the fluid was evaluated for the variation in the following parameters: plastic viscosity, yield stress, flow coefficient, tilt of the screen and g factor. The model was not sensitive to variations in the yield stress of the fluid while other parameters showed a significant influence on wet screen length. Obtained results are in agreement with the reported ones in the literature and show that the developed model is suitable for the description of the process of vibrating screening. / Dissertação (Mestrado) Peneiras Vibratórias Fluido de Perfuração Modelagem do Peneiramento Shale Shakers Drilling Fluid Sieving Modeling
25	Infrared and Thermal-Desorption Spectroscopy of H<sub>2</sub> and D<sub>2</sub> in Metal Organic Frameworks Shinbrough, Kai 26 July 2017 (has links) No description available. Materials Science Physical Chemistry Physics Quantum Physics MOFs Metal-Organic Frameworks Porous materials H2-D2 separation hydrogen separation deuterium separation temperature-programmed desorption thermal desorption spectroscopy infrared spectroscopy trapped hydrogen quantum sieving
26	Product sieving of monoclonal antibodies in cell culture processes : An investigation of product retention in perfusion cell cultures Andersson, Moa, Edman, Linus, Kredell, Lova, Sandqvist, Tilda, Eliasson, Johan January 2024 (has links) No description available. Tangential flow filtration Continuous bioprocess TFF Filter fouling Bioprocess Cross flow filtration CHO Asymmetric membrane Product retention HPTFF Membrane fouling Monoclonal antibody Perfusion cell culture Starling recirculation Turbulence promoter Static mixer Membrane material Hollow fiber mAb Sieving Bioprocess Technology Bioprocessteknik
27	Návrh asfaltových směsí typu SAL určených pro opravu cementobetonových krytů / Design of SAL asphalt mixtures for rehabilitation of concrete pavements Vlk, Radomír January 2015 (has links) This master's thesis describes how to use the asphalt layer called Stress Absorbing Layer (SAL) and comparises it with other types of SAL with different types of asphalt binders. In the first theoretical part is SAL generally described. In the second part is SAL practically tested and described.
28	Návrh metodiky stanovení součinitele drsnosti otevřených koryt / Design of methodology for determining roughness coefficient of open channels Smelík, Lukáš January 2015 (has links) Determination of immeasurable parameter, the Manning’s roughness coefficient, is a complex problem of open channel hydraulics for more than 200 years. Now it doesn’t exists a method for determining an exact value of 1D roughness coefficient for computation water levels in watercourses. Doctoral thesis is focused for comparing different approaches to determine a roughness coefficient, especially for empirical equations. It were sought empirical equations, which are suitable for wide spectrum of water stages, types of bed material, channel shapes and channel dimensions. Selected equations were sorted on the base of two methods by the best values of medians and standard deviations of measured and computed values of roughness coefficients. Furthermore, it were compared qualities of roughness coefficient determination by tables, by photographic catalogs, CES software and by Cowan’s method, which has been extended and recalibrated. The computed values of roughness coefficients by those four methods were compared with values from own measurements in 27 locations in watercourses near of Brno and Frýdek-Místek. Also it were compared the grain size curves determined by sieving, by Wolman’s method and by Subjective estimation. Doctoral thesis is marginally focused for beginning of sediment movement, roughness coefficient of bedforms (dunes), grass and trees.
29	Využití recyklátů z vozovek do pozemních komunikací / The utilization of the pavement waste materials to roads Furdaničová, Alice Unknown Date (has links) The diploma thesis deals with the use of recycled asphalt with aggregate in a hydraulically bound mixtures. The mixture is determined in the base or sub-base course of the pavement. The theoretical part of the diploma thesis describes the base course of the pavement, the production of recyclates from construction demolition waste, the acquisition and processing of recycled asphalt, the road reuse and recycling. The thesis is enriched by a contribution from the implementation of recycled asphalt laying into the base course of the communication company SKANSKA a.s. and ČNES a.s. The next chapter describes detailed experiences with recycling abroad. The thesis also contains a description of laboratory tests, which are important for evaluating the properties of mixtures with recycled asphalt. The practical part verifies the suitability of the mixture of recycled asphalt and aggregate for the road surface by testing the transverse tensile strength, compressive strength and frost and water resistance. The mixtures used are found to be suitable for pavement base course.
30	Modification électrochimique de l'interface liquide - liquide avec de la silice mésoporeuse / Electrochemical modification of the liquid - liquid interface with mesoporous silica Poltorak, Lukasz 25 September 2015 (has links) Ce travail combine l'électrochimie à l'interface liquide - liquide avec le procédé sol - gel pour la modification interfaciale avec de la silice mésoporeuse. Dans la première partie de ce travail, l’interface liquide – liquide macroscopique a été utilisée pour séparer la solution aqueuse de l'espèce de précurseur de silice hydrolysées (tétraéthoxysilane (TEOS)) de l'agent tensioactif cationique (cethyltrimethylammonium (CTA+) qui a agi comme un template et a été dissous dans le dichloroéthane. Le dépôt de matériau de silice a été déclenchée par le transfert du CTA+ à partir de la phase organique vers la phase aqueuse. CTA+ qui a transféré à la phase aqueuse a catalysé la réaction de condensation de la silice sur l’interface liquide – liquide. Le dépôt de silice à des interfaces liquide – liquide miniaturisées était la deuxième partie de ce travail. Les dépôts stables sur le côté de l'interface ont été synthétisés in situ par voie électrochimique. La stabilité mécanique des dépôts de silice permis un traitement thermique de la silice. Basé sur les techniques d’imagerie (par exemple SEM) il a été constaté que les dépôts forment des hémisphères pour des temps plus long. La réaction interfaciale a également été suivie in situ par spectroscopie Raman confocale. Caractéristiques moléculaires de l'interface ont été modifiées de manière spectaculaire une fois les espèces CTA+ ont été transférés à la phase aqueuse. Les interfaces liquide – liquide miniaturisés et modifiés ont également été évaluée avec le transfert voltampérométrique / This work combines the electrochemistry at the interface between two immiscible electrolyte solutions (ITIES) with the Sol – Gel process of silica leading to an interfacial modification with mesoporous silica using soft template. In the first part of this work the macroscopic liquid – liquid interface was employed to separate the aqueous solution of the hydrolyzed silica precursor species (tetraethoxysilane (TEOS)) from the cationic surfactant (cethyltrimethylammonium (CTA+)) dissolved in the dichloroethane. The silica material deposition was controlled by the electrochemical CTA+ transfer from the organic to the aqueous phase. Template transferred to the aqueous phase catalyzed the condensation reaction and self-assembly resulting in silica deposition at the interface. Silica deposition at the miniaturized ITIES (membranes supporting array of micrometer in diameter pores were used in this regard) was the second part of this work. Silica interfacial synthesis performed in situ resulted in stable deposits growing on the aqueous side of the interface. Mechanical stability of the supported silica deposits allowed further processing – silica material was cured. Based on imaginary techniques (e.g. SEM) it was found that deposits forms hemispheres for longer experimental time scales. Interfacial reaction was also followed with in situ confocal Raman spectroscopy. Molecular characteristics of the interface were changed dramatically once CTA+ species were transferred to the aqueous phase. Array of microITIES modified with silica was also assessed by ion transfer voltammetry Tetraethoxysilane Interface liquide – liquide Ities Silice mésoporeuse Procédé Sol – Gel Cetyltrimethylammonium Tetraethylammonium Tetramethylammonium Tetrabuthylammonium Voltammétrie cyclique Spectroscopie Raman confocale Tamis moléculaire Modification interfaciale Dépôt de silice Voltammétrie de transfert d’ions 4-Octylbenzenesulfonate Miniaturisation MicroITIES Μities Membrane à base de silicium mésoporeux Tetraethoxysilane Liquid – liquid interface Ities Mesoporous silica Sol – Gel process Soft template Cetyltrimethylammonium Worm like structures Tetraethylammonium Tetramethylammonium Tetrabuthylammonium PAMAM dendrimers Cyclic voltammetry Confocal Raman spectroscopy Molecular sieving Interfacial modification Silica deposition Ion transfer voltammetry 4-Octylbenzenesulfonate Miniaturization MicroITIES Μities Mesoporous silicon wafers 541.37 660.297

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