The inductively coupled plasma mass spectrometer (ICP-MS) has been used in laboratories for many years. The majority of the improvements to the instrument have been done empirically through trial and error. A few fluid models have been made, which have given a general description of the flow through the mass spectrometer interface. However, due to long mean free path effects and other factors, it is very difficult to simulate the flow details well enough to predict how changing the interface design will change the formation of the ion beam. Towards this end, Spencer et al. developed FENIX, a direct simulation Monte Carlo algorithm capable of modeling this transitional flow through the mass spectrometer interface, the transitional flow from disorganized plasma to focused ion beam. Their previous work describes how FENIX simulates the neutral ion flow. While understanding the argon flow is essential to understanding the ICP-MS, the true goal is to improve its analyte detection capabilities. In this work, we develop a model for adding analyte to FENIX and compare it to previously collected experimental data. We also calculate how much ambipolar fields, plasma sheaths, and electron-ion recombination affect the ion beam formation. We find that behind the sampling interface there is no evidence of turbulent mixing. The behavior of the analyte seems to be described simply by convection and diffusion. Also, ambipolar field effects are small and do not significantly affect ion beam formation between the sampler and skimmer cones. We also find that the plasma sheath that forms around the sampling cone does not significantly affect the analyte flow downstream from the skimmer. However, it does thermally insulate the electrons from the sampling cone, which reduces ion-electron recombination. We also develop a model for electron-ion recombination. By comparing it to experimental data, we find that significant amounts of electron-ion recombination occurs just downstream from the sampling interface.

Planning of the optimised production system is an intricate task. The reason behind this is changing demand, variations, and other disturbances. The main purpose of this study the current performance in the existing production system and provide recommendations for optimising the production in order to accommodate a new product. Since, the addition of new products may lead to bottlenecks in the flow which affects the output performance. The bottlenecks would lead to ineffective results, while tying up the capital in the production downstream as inventory gets stagnated in the assembly lines. The performance evaluation is a tedious process however, the study probes into the use of flow simulation tool to analyse the production performance. In this thesis work, Discrete Event Simulation (DES) is utilised as a tool to examine the performance of the production systems and to determine the cost consuming areas. To achieve that, the production system is replicated as a functional model into the DES system with the appropriate logics and parameters, with the thorough understanding of the existing workflows. To supplement it, the data from the orders, resources, and parts are charted.In the later part, production flow is analysed with the additions of determined improvisations to understand the impact on the output. Later, investigations are performed to identify the challenges and applicable changes required to meet future output. As an outcome, the production system is restructured and optimised, thus getting an overview of the future production set up as a digital factory layout. / Planering av det optimerade produktionssystemet är en invecklad uppgift. Orsaken bakom detta är förändrad efterfrågan, variationer och andra störningar. Huvudsyftet med denna studie är den nuvarande prestandan i det befintliga produktionssystemet och ger rekommendationer för att optimera produktionen för att rymma en ny produkt. Eftersom tillägg av nya produkter kan leda till flaskhalsar i flödet som påverkar uteffekten. Flaskhalsarna skulle leda till ineffektiva resultat, samtidigt som kapitalet i produktionen binds nedströms när lagret stagnerar i löpande band. Prestationsutvärderingen är en tråkig process, men studien undersöker användningen av flödessimuleringsverktyg för att analysera produktionsprestanda. I detta avhandlingsarbete används Discrete Event Simulation (DES) som ett verktyg för att undersöka produktionssystemens prestanda och bestämma de kostnadskrävande områdena. För att uppnå det replikeras produktionssystemet som en funktionell modell i DES -systemet med lämpliga logiker och parametrar, med en grundlig förståelse av de befintliga arbetsflödena. För att komplettera det kartläggs data från order, resurser och delar. I den senare delen analyseras produktionsflödet med tillägg av bestämda improvisationer för att förstå effekten på produktionen. Senare utförs undersökningar för att identifiera de utmaningar och tillämpliga förändringar som krävs för att möta framtida produktion. Som ett resultat omstruktureras och optimeras produktionssystemet och får därmed en överblick över den framtida produktionsuppsättningen som en digital fabrikslayout.

Die künstliche Grundwasserabsenkung stellt eine wichtige Maßnahme für die Entwässerung von Baugruben und bergbaulich genutzten Flächen dar. Eine erfolgreiche und zielgerichtete Absenkung des Grundwasserspiegels setzt ein zweckmäßiges Design und die richtige Auswahl der genutzten Absenkungstechniken voraus. Dabei sind insbesondere die Dimension des abzusenkenden Bereichs, die Untergrundbeschaffenheit sowie zu erfüllende umweltschutzrechtliche Regelungen zu berücksichtigen. Zur Grundwasserabsenkung kommen üblicherweise verschiedene Ausführungen und Anordnungen von Pumpbrunnen zum Einsatz. Konventionelle Pumpbrunnen, welche für Absenkungsmaßnahmen eingesetzt werden, entnehmen Grundwasser aus dem Aquifer. Durch das fortwährende Abpumpen von in der Regel erheblichen Wassermengen können jedoch Umweltprobleme entstehen, und es ist mit zusätzlichen Entsorgungskosten für die Ableitung des geförderten Wassers zu rechnen. Im Gegensatz hierzu stellen vertikale Zirkulationsbrunnen (VCW) einen innovativen Ansatz dar, der eine lokale Grundwasserabsenkung ohne Nettowasserentnahme aus dem Aquifer erlaubt. Ein VCW kann als ein Einbohrlochsystem aufgefasst werden, bei dem im oberen Bereich eines Brunnens Wasser entnommen und dieses in einem separaten, weiter unten installierten Brunnenbereich wieder injiziert wird. Die erfolgreiche Anwendung dieser neuen Grundwasserabsenkungstechnik erfordert die genaue Kenntnis der Faktoren, welche für die Grundwasserströmungsverhältnisse relevant sind und somit die Absenkung bestimmen. Traditionelle Berechnungsansätze vernachlässigen oft vertikale Grundwasserbewegungen und sind deshalb für die Beschreibung der komplexen Strömungsverhältnisse in unmittelbarer Nähe eines VCW nicht geeignet. Aus diesem Grund steht die systematische Untersuchung der Grundwasserströmung unter Berücksichtigung vertikaler Strömungskomponenten im Hauptfokus dieser Arbeit. Die Untersuchungen beschäftigen sich in erster Linie mit der Entwicklung einer geeigneten Simulationsmethode, mit der Evaluierung des Einflusses relevanter hydrogeologischer Parameter sowie mit der Durchführung und Auswertung von Pumpversuchen an einem Feldstandort. Die hier vorgestellte neue Simulationsmethode koppelt den sogenannten Arbitrary‐Lagrangian‐Eulerian‐(ALE)‐Algorithmus mit der Grundwasserströmungsgleichung. Die Simulationsergebnisse werden mit mehreren analytischen Lösungen verglichen und verifiziert. Das entwickelte numerische Modell berücksichtigt auch Vertikalströmungen und eignet sich somit zur Simulation der Grundwasserströmung in der Nähe von VCW. Folglich kann nun die Lage des Grundwasserspiegels, vor allem für ungespannte Grundwasserleiter, präzise berechnet werden. Nach erfolgter Kalibrierung des numerischen Modells anhand von Felddaten wurde eine Sensitivitätsanalyse relevanter Parameter im Hinblick auf die erzielte Absenkung und deren Auswirkungen auf die Grundwasserströmungssituation durchgeführt. Die dabei erhaltenen Ergebnisse zeigen, dass die Grundwasserabsenkung proportional zur Pumprate, indirekt proportional zur hydraulischen Leitfähigkeit und fast unabhängig von der Anisotropie des Grundwasserleiters um den VCW ist. Des Weiteren zeigte sich, dass die Lage des oberen Entnahmepunktes einen größeren Einfluss auf die Absenkung als die Lage des darunter liegenden Injektionspunktes hat. Die Größe des von der Grundwasserzirkulation beeinflussten Bereiches hängt dagegen neben dem Abstand dieser beiden Punkte hauptsächlich auch von der Anisotropie des Aquifermaterials ab. Um den Einfluss der Hydrostratigraphie auf die Grundwasserströmung zu untersuchen, wurden die Eigenschaften der einzelnen Schichten genau charakterisiert. Hierfür wurden Direct‐Push‐, Pump‐, Injektions‐ sowie Zirkulationsversuche an einem Feldstandort durchgeführt. Zudem wurden Bohrkerne entnommen und mithilfe von Siebanalysen vertikale Korngrößenverteilungsprofile im Labor bestimmt. Die eingesetzten experimentellen Methoden stellen in Kombination mit numerischen Simulationsrechnungen eine gute Basis dar, um die Rolle der Schichtstruktur im Aquifer besser beurteilen zu können. Die Untersuchungen leisten somit einen wichtigen Beitrag für das zukünftige Design und den Betrieb von VCW für Grundwasserabsenkungszwecke in ungespannten Grundwasserleitern. Zudem zeigt die hier vorliegende Arbeit das große Potential dieser neuen Grundwasserabsenkungstechnik als vielversprechende Alternative zu konventionellen Absenkungsverfahren auf.

Dans les nouveaux protocoles thérapeutiques par voie inhalée, le dosage des particules actives reste un problème complexe qui dépend de trois principaux facteurs : leur taille, la dynamique des flux et les variations de calibre bronchique. La solution nécessite de disposer d'un modèle de distribution des gaz et aérosols administrés dans les poumons. Ventilation pulmonaire et effets du cycle respiratoire sur la dynamique des fluides deviennent deux enjeux clés de la pratique clinique.<br /><br />Dans ce contexte, le projet RNTS RMOD a pour objectif de développer un simulateur morpho-fonctionnel des voies respiratoires pour l'aide au diagnostic, au geste médico-chirurgical et à l'administration de médicaments par inhalation.<br /><br />Contribuant au projet RMOD, la recherche développée dans cette thèse propose une modélisation in-silico de la structure des voies aériennes supérieures (VAS) et proximales (VAP) à partir d'examens tomodensitométriques (TDM). L'investigation morphologique et la simulation fonctionnelle bénéficient alors de géométries 3D réelles, adaptées au patient et spécifiques des pathologies rencontrées.<br /><br />La modélisation développée fait coopérer des méthodes originales de segmentation, de construction de surface maillée et d'analyse morpho-fonctionnelle.<br /><br />La segmentation des VAP est obtenue par un schéma diffusif et agrégatif gouverné par un modèle markovien, dont l'initialisation repose sur l'opérateur de coût de connexion sous contrainte topographique. De cette segmentation, l'axe central de l'arbre bronchique est extrait de manière robuste et précise en combinant information de distance, propagation de fronts, et partition conditionnelle locale. Cet axe central est représenté sous forme d'une structure hiérarchique multivaluée synthétisant caractéristiques topologiques et géométriques de l'arbre bronchique. Une surface maillée est ensuite construite en appliquant une procédure de Marching Cubes adaptative, les paramètres des différents filtres mis en jeu étant automatiquement ajustés aux caractéristiques locales du réseau bronchique conditionnellement aux attributs de l'axe central.<br /><br />La segmentation des VAS repose sur une propagation markovienne exploitant les variations locales de densité. L'initialisation combine morphologie mathématique et information de contour afin de garantir la robustesse à la topologie. Une procédure de type triangulation de Delaunay restreinte à une surface fournit ensuite la représentation maillée des VAS. Il est établi que la topologie et la géométrie des structures complexes composant les VAS sont effectivement préservées.<br /><br />Pour permettre aux médecins de valider les modèles maillés ainsi construits, un environnement virtuel 3D convivial et interactif a été réalisé. En outre, la morphologie des voies aériennes exo- et endo-luminale est analysée de façon automatique à partir de simulations d'écoulement pour des géométries réelles.<br /><br />Enfin, une modélisation unifiée des VAP et VAS est obtenue pour la première fois. Elle démontre la pertinence des approches développées. Elle ouvre la voie à la construction de modèles in-silico complets de l'appareil respiratoire ainsi qu'aux études fonctionnelles prenant en compte les paramètres morphologiques susceptibles d'influer localement ou globalement sur la dynamique des écoulements.

Les systèmes de production actuels sont soumis à des contraintes de réactivité et de productivité. Par conséquent, les variabilités du flux physique sont de plus en plus prononcées. Ces variabilités s’amplifient en raison d’un ensemble de facteurs humains. Elles impactent la productivité et peuvent donner lieu à des facteurs de risque qui peuvent contribuer dans la genèse des maladies professionnelles. Par conséquent, les systèmes de production doivent offrir la flexibilité nécessaire afin de mieux amortir cette variabilité et en particulier, son incidence sur l’opérateur. Dans ce contexte, ces travaux de thèse proposent une approche pour instaurer la flexibilité temporelle nécessaire dans un système de production : les marges de manœuvre temporelles. Ce travail décrit le développement d’un outil permettant de simuler un système afin d’évaluer son comportement. L’outil développé est baptisé AEN-PRO : Agent based ENgine for PROduction system simulation. Ces travaux proposent également la définition d’un indicateur permettant de mesurer les marges de manœuvre temporelles disponibles sur un poste de travail. L’analyse par états élémentaires est aussi proposée pour évaluer le comportement des entités du système afin de proposer des modifications de la conception qui améliorent les marges de manœuvre et la productivité du système. / Today's production systems are subject to reactivity and productivity constraints. Consequently, variability in the physical flow are increasingly pronounced. This variability affects productivity and may contribute to occupational diseases through different kind of risk factors. Therefore, production systems must have the needed flexibility to better cushion this variability and its impact on workers. In this context, this article proposes a tooled approach to establish temporal flexibility in production system: temporal margins of maneuver. The developed tool is used to simulate a production system and assess its behavior with respect to variability. This work also proposes the definition of an indicator to measure the temporal margins of maneuver in the simulated system. Elementary states analysis is proposed to evaluate the behavior of the system’s entities. This analysis leads to improvements that aim to enhance the temporal margins of maneuver and the productivity of the system as well.

Made available in DSpace on 2016-12-23T14:04:30Z (GMT). No. of bitstreams: 1 Wesley Jose Nunes Pinto.pdf: 2090367 bytes, checksum: e676fde8423a3a2cfeac61da24020ea8 (MD5) Previous issue date: 2013-08-19 / Neste estudo foi aplicado do método numérico, sem malhas, baseado em partículas, denominado SPH (Smoothed Particles Hydrodynamics). E um código numérico na linguagem computacional FORTRAN foi utilizado para solucionar as equações de Navier-Stokes. O clássico problema da literatura da dinâmica dos fluidos Computacional, denotado como problema da cavidade quadrada bidimensional (Shear-Driven Cavity Flow) , foi estudado com a intenção de verificar o comportamento do código numérico em relação a resultados específicos já existentes do assunto. O citado problema físico das cavidades abertas é amplamente empregado como benchmark, visando a validação do método numérico utilizado no trabalho desenvolvido na pesquisa. O trabalho de análise e validação do código numérico foi dividido em três seções: a primeira lista as localizações dos centros dos vórtices principais gerados pelo escoamento na aresta superior das cavidades; a segunda plota os perfis das componentes das velocidades centrais das cavidades; e a terceira: lista os desvios absolutos dos perfis das velocidades centrais do presente trabalho, comparados com dados de outros estudos. Constata-se que o método SPH apresentou boa acurácia nas simulações realizadas, obtendo boa concordância entre os resultados das simulações dinâmicas com os dados de referências, validando-se o modelo numérico proposto, tendo melhores resultados para baixos números de Reynolds / In this study, it was applied the numerical method, grid-free, based on particles named SPH (Smoothed Particles Hydrodynamics). Also, a numerical code in the computer language FORTRAN was used to solve the Navier-Stokes Equations. This classic problem of the literature related to Computational Fluid Dynamics indicated as Shear-Driven Cavity Flow was studied to check the behavior of the numerical code regarding specific existing results. Such problem is highly used as Benchmark, aiming the validation of the numerical method used to develop the research. The analysis and validation of the numerical code was divided into three sections: the first one lists the location of the centre of the main vortex generated by the flow of the upper edge of the cavities; the second one plots the profiles of the components of the central speed of the cavities; the third one lists the absolute deviation of the profiles of the central speed of this study compared with other cases data. It is established that the SPH Method presented accuracy in the performed simulations, in a consonance between the results of the dynamic simulations and the reference data, thus the proposed numerical model was validated with better results for low Reynolds numbers

The aim of this thesis is the investigation of modeling and optimization particularities of tubular polymerization reactors. The original work is divided in two sections, the first treating a modeling and optimization study of tubular reactors for methyl methacrylate polymerization in solution, and the second, an experimental and theoretical study of L-lactide reactive extrusion. In the first section, reactor simulations in similar operating conditions were performed in order to select a representative kinetic model among the published kinetic models for MMA solution polymerization. Two widely used numerical algorithms, one based on Pontryagin's Minimum Principle and the other a Genetic Algorithm, were compared for an average-complexity optimization problem. The results showed a superior robustness of the Genetic Algorithm for this category of problems. The second part of the thesis deals with the modeling and optimization of L-lactide reactive extrusion. A kinetic model is proposed and its parameters estimated using nonlinear estimation numerical procedures based on experimentally measured data. Reactive extrusion experiments were performed in representative operating conditions. The Llactide/ polylactide flow in the extruder was characterized by simulation using the commercial software LUDOVIC®. The simulated residence time distributions characteristics are used to model the reactive extrusion process of two approaches, an axial dispersion model and a compartment model, based on compartments whose characteristics are deduced from the simulations using LUDOVIC®. The modeling results are in good agreement with the measured data in the same operating conditions.

Well logs and formation testers are routinely used for detection and quantification of hydrocarbon reserves. Overbalanced drilling causes invasion of mud filtrate into permeable rocks, hence radial displacement of in-situ saturating fluids away from the wellbore. The spatial distribution of fluids in the near-wellbore region remains affected by a multitude of petrophysical and fluid factors originating from the process of mud-filtrate invasion. Consequently, depending on the type of drilling mud (e.g. water- and oil-base muds) and the influence of mud filtrate, well logs and formation-tester measurements are sensitive to a combination of in-situ (original) fluids and mud filtrate in addition to petrophysical properties of the invaded formations. This behavior can often impair the reliable assessment of hydrocarbon saturation and formation storage/mobility. The effect of mud-filtrate invasion on well logs and formation-tester measurements acquired in vertical wells has been extensively documented in the past. Much work is still needed to understand and quantify the influence of mud-filtrate invasion on well logs acquired in horizontal and deviated wells, where the spatial distribution of fluids in the near-wellbore region is not axial-symmetric in general, and can be appreciably affected by gravity segregation, permeability anisotropy, capillary pressure, and flow barriers. This dissertation develops a general algorithm to simulate the process of mud-filtrate invasion in vertical and deviated wells for drilling conditions that involve water- and oil-base mud. The algorithm is formulated in cylindrical coordinates to take advantage of the geometrical embedding imposed by the wellbore in the spatial distribution of fluids within invaded formations. In addition, the algorithm reproduces the formation of mudcake due to invasion in permeable formations and allows the simulation of pressure and fractional flow-rate measurements acquired with dual-packer and point-probe formation testers after the onset of invasion. An equation-of-state (EOS) formulation is invoked to simulate invasion with both water- and oil-base muds into rock formations saturated with water, oil, gas, or stable combinations of the three fluids. The algorithm also allows the simulation of physical dispersion, fluid miscibility, and wettability alteration. Discretized fluid flow equations are solved with an implicit pressure and explicit concentration (IMPEC) scheme. Thermodynamic equilibrium and mass balance, together with volume constraint equations govern the time-space evolution of molar and fluid-phase concentrations. Calculations of pressure-volume-temperature (PVT) properties of the hydrocarbon phase are performed with Peng-Robinson's equation of state. A full-tensor permeability formulation is implemented with mass balance equations to accurately model fluid flow behavior in horizontal and deviated wells. The simulator is rigorously and successfully verified with both analytical solutions and commercial simulators. Numerical simulations performed over a wide range of fluid and petrophysical conditions confirm the strong influence that well deviation angle can have on the spatial distribution of fluid saturation resulting from invasion, especially in the vicinity of flow barriers. Analysis on the effect of physical dispersion on the radial distribution of salt concentration shows that electrical resistivity logs could be greatly affected by salt dispersivity when the invading fluid has lower salinity than in-situ water. The effect of emulsifiers and oil-wetting agents present in oil-base mud was studied to quantify wettability alteration and changes in residual water saturation. It was found that wettability alteration releases a fraction of otherwise irreducible water during invasion and this causes electrical resistivity logs to exhibit an abnormal trend from shallow- to deep-sensing apparent resistivity. Simulation of formation-tester measurements acquired in deviated wells indicates that (i) invasion increases the pressure drop during both drawdown and buildup regimes, (ii) bed-boundary effects increase as the wellbore deviation angle increases, and (iii) a probe facing upward around the perimeter of the wellbore achieves the fastest fluid clean-up when the density of invading fluid is larger than that of in-situ fluid. / text

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In this thesis, an approach is presented for the generation of grids suitable for the simulation of high Reynolds number viscous flows in complex three-dimensional geometries. The automatic and reliable generation of such grids is today on the biggest bottlenecks in the industrial CFD simulation environment.<p><p>In the proposed approach, unstructured tetrahedral grids are employed for the regions far from the viscous boundaries of the domain, while semi-structured layers of high aspect ratio prismatic and hexahedral elements are used to provide the necessary grid resolution inside the boundary layers and normal to the viscous walls. The definition of the domain model is based on the STEP ISO standard and the topological information contained in the model is used for applying the hierarchical grid generation parameters defined by the user. An efficient, high-quality and robust algorithm is presented for the generation of the unstructured simplicial (triangular of tetrahedral) part of the grid. The algorithm is based on the Delaunay triangulation and the internal grid points are created following a centroid or frontal approach. For the surface grid generation, a hybrid approach is also proposed similar to the volume.<p>Semi-structured grids are generated on the surface grid (both on the edges and faces of the domain) to improve the grid resolution around convex and concave ridges and corners, by aligning the grid elements in the directions of high solution gradients along the surface. A method is also developed for automatically setting the grid generation parameters related to the surface grid generation based on the curvature of the surface in order to obtain an accurate and smooth surface grid. Finally, a semi-structured prismatic/hexahedral grid generation algorithm is presented for the generation of the part of grid close to the viscous walls of the domain. The algorithm is further extended with improvements meant to increase the grid quality around concave and convex ridges of the domain, where the semi-structured grids are known to be inadequate.<p><p>The combined methodology is demonstrated on a variety of complex examples mainly from the automotive and aeronautical industry. / Doctorat en sciences appliquées / info:eu-repo/semantics/nonPublished