Diesel engines produce large amounts of nitrogen oxides (NOX) while running. Nitrogen oxides are highly toxic and also contribute towards the formation of tropospheric ozone. Increasingly stringent legislation regarding the amount of nitrogen oxides that are allowed to be emitted from diesel-powered vehicles has forced manufacturers of diesel-engines to develop after-treatment systems that reduce the amount of nitrogen oxides in the exhaust. One of the main components in such a system is selective catalytic reduction (SCR), where nitrogen oxides are reduced to diatomic nitrogen and water with the help of ammonia. A vital part of this process is the spraying of a urea-water-solution (UWS), which is needed in order to produce the reducing agent ammonia. UWS spraying introduces the risk of solid deposits (such as biuret, ammelide and ammeline) forming in the after-treatment system, should the flow conditions be unfavourable. Risk factors include high temperatures, but also low dynamics and high thickness of the resulting liquid film that forms as the UWS spray hits the surfaces of the after-treatment system. It is thus essential that manufacturers of SCR after-treatment systems have correct data on how much UWS that should be sprayed into the exhaust for any given flow condition. Experimental tests are thoroughly used to assess this but are very expensive and are thus limited to prototype testing during product development. When assessing a wider range of concepts and geometries early on in the product development stage, simulation tools such as computational fluid dynamics (CFD) are used instead. One of the most computationally heavy processes to simulate within a SCR after-treatment system is the UWS spray and its interaction with surfaces inside the after-treatment system, where correct prediction of the formation of solid deposits are of great importance. Most CFD models used for this purpose hold a relatively good level of accuracy and are utilized throughout the whole industry where SCR aftertreatment is applied. Despite this, these models are limited in the fact that they are only able to cover timescales in the scope of seconds to minutes while using a tolerable amount of computational power. However, the time spectrum for solid deposit formation is minutes to hours. Scania is one of Sweden’s biggest developers of SCR after-treatment, with the technology being incorporated directly into its silencers. AVL Fire is the main UWS spray simulation tool for engineers at Scania at the moment. One major drawback of using AVL Fire for UWS spray simulations is that it is deemed too time-consuming to set up new cases and too unstable during simulation, which makes it too costly in terms of expensive engineering hours. This project has investigated the potential of using STAR-CCM+ for UWS spray simulations at Scania instead. A standard method has been evaluated, as well as parameters that will prove useful in further investigations of a potential speedup method. The studied method in STAR-CCM+ is easy to setup and the simulation process is robust and stable. Various other perks come from using STAR-CCM+ as well, such as: a user-friendly interface, easy and powerful mesh-generation and great post-process capabilities. Several different parameters have been investigated for their impact on the studied method, such as mesh refinement of the spray injector area and the number of parcels injected every time-step through the spray injector (simply put the resolution of the spray). A possible speedup by freezing the momentum equations when allowed and lowering the amount of inner iterations has also been investigated. A handful of operating conditions have been studied for two different geometries. The attained simulation results display correlations with physical measurements, but further assessment for identifying the risk of solid deposit needs to be performed on the studied cases to assess the full accuracy of solid deposit prediction of the studied method. Recommendations for future work includes fully implementing and evaluating the speedup method available for spray simulations in STAR-CCM+ as well as directly comparing how the accuracy and performance of the method relates to that of the method used in AVL Fire for spray simulations. / Dieselmotorer producerar under körning stora mängder kväveoxider (NOx). Kväve-oxider är starkt giftiga föreningar som även bidrar till att öka mängden marknära ozon. Allt strängare lagstiftning gällande mängden kväveoxider som får släppas ut från fordon med dieselmotorer har lett till att tillverkare av dieselmotorer blivit tvingade att utveckla efterbehandlingssystem som renar avgasen från motorn. En av huvudkomponenterna i ett sådant system idag är selective catalytic reduction (SCR; på svenska selektiv katalytisk reduktion), där kväveoxider omvandlas till kvävgas och vatten med hjälp av ammoniak. För att producera ammoniak används en lösning av urea och vatten (t.ex. AdBlue®), som introduceras till efterbehandlingssystemet via spray. Denna process har dock en stor nackdel, då det under omvandlingsprocessen kan finnas risk för klumpbildning av ämnen som biuret, ammelid och ammelin ifall flödesförhållandena är ogynnsamma. Riskfaktorer för klumpbildning inkluderar höga temperaturer samt låg dynamik och hög tjocklek för den vätskefilm som bildas när sprayen med urea-lösning kommer i kontakt med ytor i efterbehandlingssystemet. Det är därför av stor vikt för tillverkare av efterbehandlingssystem som använder SCR att känna till hur mycket urealösning som kan sprayas in för varje givet flöde. Experimentella tester används till stor del för att utvärdera detta, men är väldigt dyra och kan endast göras för ett fåtal prototyper under en produkts utveckling. För att kunna utvärdera ett större antal koncept och geometrier tidigare i utvecklingsstadiet av en ny produkt används därför ofta datorkraft med simuleringsverktyg som CFD (Computational Fluid Dynamics). En av de mest beräkningstunga processerna att simulera i ett efterbehandlingssystem med SCR är sprayandet av urea-lösning och dess interaktion med ytor, där korrekta förutbestämmelser av huruvida det finns risk för klumpbildning eller inte är av stor betydelse. De flesta CFD modeller som används i detta syfte har förhållandevis god noggrannhet och används i stor utsträckning i den bransch där efterbehandling med SCR tillämpas. Däremot är dessa modeller begränsade i att de endast kan åstadkomma simuleringar (med en acceptabel mängd datorkraft) som sträcker sig i tidsintervallet sekunder till minuter. Bildningen av klump är dock en process som kan ta upp till flera timmar. Scania är en av Sveriges största tillämpare av SCR, då tekniken används i de efterbehandlingssystem som finns inbyggda i tillverkarens ljuddämpare. Scania använder främst AVL Fire för simulering av spray med urea. AVL Fire anses dock vara för tidskrävande vid skapelsen av nya simuleringsfall och för instabilt under simulering. Detta projekt har därför undersökt möjligheten att använda STAR-CCM+ för simulering av spray med urea hos Scania. Den metod i STAR-CCM+ som utvärderats är enkel att använda då nya simuleringsfall ska skapas, samtidigt som den är robust och stabil under simulering. Relevanta parametrar för en potentiell uppsnabbningsmetod har också undersökts. STAR-CCM+ i sin helhet är användarvänligt, där verktyget för att skapa och generera mesh är enkelt att använda såväl som kraftfullt när mer avancerade operationer krävs. Möjligheterna för postprocessing är väldigt smidiga för transienta förlopp, vilket är ett stort plus för simuleringar med urea-spray, vars injektion och resulterande processer är väldigt transienta skeenden i sig. Flera olika parametrar har undersökts, för att granska hur stor påverkan de har på prestandan och noggrannheten hos den studerade metoden. Två av dessa är tätheten av beräkningsnoder i den region där spray-munstycket är placerat samt antalet paket med urea-vatten lösning som injiceras varje tidssteg via spray-munstycket. En möjlig uppsnabbning av metoden, som går ut på att frysa ekvationerna för bevarelse av rörelsemängd (eng - momentum equations) när det är tillåtet och samtidigt minska antalet inre iterationer för varje tidssteg, har också undersökts. Ett flertal olika flödesförhållanden har också undersökts för två olika geometrier. De erhållna resultaten tyder på korrelation med data från fysiska experiment. Dock bör ytterligare hydrodynamiska utvärderingar tillämpas för att ordentligt kunna redogöra för hur väl STAR-CCM+ kan användas för att förutse risken för klump- bildning i en spray-process med urea-vatten lösning. Framtida arbete borde fokusera på att utvärdera den uppsnabbningsmetod som finns för spray-simuleringar i STAR-CCM+, samt direkt jämföra hur väl metodens noggrannhet och prestanda står sig gentemot den metod som används i AVL Fire för spray-simuleringar.

The horizontal twin-roll casting (TRC) process is an energy saving and cost-efficient method for producing near-net-shape sheets of castable metals for light-weight production. In order to investigate the TRC process numerically, a code is generated in OpenFOAM and the commercial software STAR-CCM+ is used. Both are validated with the Stefan problem, the gallium melting test case, and a continuous casting experiment for magnesium AZ31. Different solidification models are tested that are similar to solution domain definitions and solid-fraction temperature relations. The comparison with temperature measurements of the MgF GmbH Freiberg pilot plant and the final microstructure exhibits good correlation. Sensitivity studies are carried out for thermophysical properties of AZ31 as well as pilot plant parameters. Furthermore, the rolls are incorporated into the simulation to determine the effect of a location-dependent heat-transfer coefficient. Finally, the results are compared to a second pilot plant situated at the Helmholtz-Centre Geesthacht in order to explore differences and similarities. / Das horizontales Gießwalzen ist eine energiesparende und kostengünstige Methode zur Erzeugung von Flachprodukten, die im Leichtbau verwendet werden. Um dieses Verfahren numerisch zu untersuchen wurde ein Programmcode in OpenFOAM entwickelt und die kommerzielle Software STAR-CCM+ verwendet, wobei beide mit dem Stefan Problem, dem Schmelzen von Gallium und Messdaten des Stranggusses von Magnesium AZ31 validiert wurden. Verschiedene Erstarrungsmodelle werden ebenso getestet wie Variationen des Simulationsbereiches und Feststoff-Temperatur-Verläufe. Vergleiche mit Temperaturmessdaten der Pilotanlage MgF GmbH Freiberg und der finalen Mikrostruktur zeigen gute Übereinstimmungen. Sensitivitätsanalysen werden durchgeführt, um die Einflüsse von thermophysikalischen Eigenschaften und Anlagenparametern abzuschätzen. Des Weiteren werden die Walzen in die Simulation mit einbezogen, um den Effekt eines lokal veränderlichen Wärmeübergangskoeffizienten zu beurteilen. Schließlich werden die Ergebnisse mit denen einer zweiten Pilotanlage am Helmholtz-Zentrum Geesthacht verglichen. / Le laminage de coulée continue horizontal possède une faible consommation d’énergie et est bon marché pour la production des feuilles de métaux coulables utilisés dans la construction légère. Afin d’examiner ce processus numériquement, un code est généré dans OpenFOAM et le logiciel commercial STAR-CCM+ est utilisé, tous les deux sont validés en utilisant le problème de Stefan, la fusion du gallium et la coulée continue verticale de magnésium AZ31. Plusieurs modèles de solidification sont testés, ainsi que la variation du domaine de simulation, et des rélations entre la teneur en matière solide et la température. Des comparaisons avec des résultats de mesures de la température à l’installation pilote de MgF GmbH Freiberg ainsi que la microstructure donnent des bons résultats. Des analyses de sensibilité sont effectuées afin d’évaluer l’influence des propriétés thermophysiques et des paramètres de l’installation. De plus, les cylindres sont intégrés dans la simulation pour estimer l’impact du coefficient de transfert de chaleur dépendant du lieu. Finalement, les résultats sont comparés avec ceux du Helmholtz-Centre Geesthacht.

Les phénomènes d’adsorption interviennent dans les processus géochimiques gouvernant ainsi le transport des contaminants. Par ailleurs, les variations de température sont susceptibles d’influencer significativement leur comportement vis-à-vis de la surface des minéraux. Aussi, l'influence de la température sur la sorption doit être étudiée afin de mieux appréhender le devenir des éléments dans l'environnement. Dans cette optique, l'interaction entre un ion modèle, l'uranyle et deux minéraux a été étudiée. Dans un premier temps, un composé méthodologique, la monazite, a été choisi afin de déterminer la démarche à suivre pour étudier l'influence de la température sur la sorption de l'uranyle dans trois milieux plus ou moins complexants. Puis, des tests préliminaires ont été réalisés pour étudier la sorption de l'uranyle sur un composé d'intérêt industriel, la magnétite, en appliquant la démarche mise en place. Le solide a d'abord été caractérisé d'un point de vue massif puis les caractéristiques acido-basiques de sa mise en suspension dans les trois électrolytes (NaClO4, NaNO3 et Na2SO4) ont été étudiées en fonction de la température. Les constantes d'équilibre associées aux réactions de déprotonation des sites de surface ont été déterminées entre 25°C et 95°C par modélisation de courbes de titrages potentiométriques. Les simulations ont été effectuées en limitant au maximum le nombre de degrés de liberté du système. Le modèle 1-pK a donc été préféré au modèle 2-pK en raison du nombre de paramètres ajustables plus limité dans ce modèle. Des contraintes expérimentales telles que le pH de point de charge nulle ou les enthalpies déterminées par mesure directe des chaleurs associées par microcalorimétrie de mélange ont été imposées pour déterminer les constantes d'équilibre acido-basiques. La sorption de l'uranyle en fonction du pH sur le même intervalle de température a été étudiée en alliant l'acquisition de données macroscopiques telles que les sauts de sorption et la spéciation en solution à une étude structurale menée par analyse par spectrofluorimétrie laser permettant l'identification des espèces sorbées. La simulation des sauts de sorption permettant d'accéder aux constantes associées aux réactions de sorption a été réalisée en imposant les caractéristiques acido-basiques préalablement déterminées. Des mesures directes, par microcalorimétrie de mélange, des chaleurs mises en jeu lors de la sorption de l'uranyle ont permis de tester la validité de la loi de Van't Hoff sur ce phénomène. La même démarche a été suivie pour étudier l'influence de la température sur la sorption de l'uranyle sur la magnétite en milieu NaClO4 et NaNO3. Cependant, l'étude structurale par spectrofluorimétrie laser n'a pu être réalisée en raison de la couloration noire de la magnétite. / The migration of radiotoxic elements in the geosphere is mainly regulated by chemical parameters which control the partitioning of the elements between mineral phases and aqueous solutions. Variation in temperature may affect the retention properties of a mineral surface and requires a careful investigation in order to understand the radionuclides behavior in the geosphere. In this way, the interaction mechanisms between uranium(VI) and two minerals (LaPO4 and Fe3O4) have been studied. In a first step, the monazite (LaPO4) has been chosen as methodological solid in order to clearly define all the different stages needed to completely characterize the influence of temperature on the sorption phenomena. To reach that goal, three media, more or less complexants towards aqueous uranyl and the mineral surface, have been considered. Physico-chemical as well as surface acid-base properties of the solid surface have been studied by considering three electrolytes (NaClO4, NaNO3 and Na2SO4) and temperatures ranged from 25°C to 95°C. The point of zero charge has been found to be identical for perchlorate and nitrate media (pHPZC=2.1) but it was found to be one pK unit higher for the sulfate medium indicating a sorption of the background electrolyte ions. The reaction heats associated to the hydration of the solid have been measured by using microcalorimetry and the nature of the reactive surface sites has been determined by carrying out Time-Resolved Laser-Induced Fluorescence Spectroscopy (TRLFS). On the basis of these experimental constraints, the titration curves obtained for the monazite suspensions were fitted by using the Constant Capacitance Model and the 1-pK model was preferred to characterize the surface charge evolution, due to the limited number of adjustable parameters. The surface protonation constants being determined, the behavior of U(VI) towards the monazite surface in the three electrolytes has been investigated. On the basis of both U(VI) speciation in solution and the results of a structural study carrying out by using TRLFS together with calorimetric measurements, the sorption edges have been modeled and the corresponding sorption constants determined. Since these values take into account a wide number of experimental results (both structural and thermodynamical ones) they appear to be accurate and could be extrapolated more confidently to other physico-chemical conditions. The experimental approach being validated with the methodological solid, preliminary tests have been carried out to study uranyl sorption onto a second substrate, the magnetite, more relevant than monazite in the field of radionuclides migration in the geosphere.

The horizontal twin-roll casting (TRC) process is an energy saving and cost-efficient method for producing near-net-shape sheets of castable metals for light-weight production. In order to investigate the TRC process numerically, a code is generated in OpenFOAM and the commercial software STAR-CCM+ is used. Both are validated with the Stefan problem, the gallium melting test case, and a continuous casting experiment for magnesium AZ31. Different solidification models are tested that are similar to solution domain definitions and solid-fraction temperature relations. The comparison with temperature measurements of the MgF GmbH Freiberg pilot plant and the final microstructure exhibits good correlation. Sensitivity studies are carried out for thermophysical properties of AZ31 as well as pilot plant parameters. Furthermore, the rolls are incorporated into the simulation to determine the effect of a location-dependent heat-transfer coefficient. Finally, the results are compared to a second pilot plant situated at the Helmholtz-Centre Geesthacht in order to explore differences and similarities. / Das horizontales Gießwalzen ist eine energiesparende und kostengünstige Methode zur Erzeugung von Flachprodukten, die im Leichtbau verwendet werden. Um dieses Verfahren numerisch zu untersuchen wurde ein Programmcode in OpenFOAM entwickelt und die kommerzielle Software STAR-CCM+ verwendet, wobei beide mit dem Stefan Problem, dem Schmelzen von Gallium und Messdaten des Stranggusses von Magnesium AZ31 validiert wurden. Verschiedene Erstarrungsmodelle werden ebenso getestet wie Variationen des Simulationsbereiches und Feststoff-Temperatur-Verläufe. Vergleiche mit Temperaturmessdaten der Pilotanlage MgF GmbH Freiberg und der finalen Mikrostruktur zeigen gute Übereinstimmungen. Sensitivitätsanalysen werden durchgeführt, um die Einflüsse von thermophysikalischen Eigenschaften und Anlagenparametern abzuschätzen. Des Weiteren werden die Walzen in die Simulation mit einbezogen, um den Effekt eines lokal veränderlichen Wärmeübergangskoeffizienten zu beurteilen. Schließlich werden die Ergebnisse mit denen einer zweiten Pilotanlage am Helmholtz-Zentrum Geesthacht verglichen. / Le laminage de coulée continue horizontal possède une faible consommation d’énergie et est bon marché pour la production des feuilles de métaux coulables utilisés dans la construction légère. Afin d’examiner ce processus numériquement, un code est généré dans OpenFOAM et le logiciel commercial STAR-CCM+ est utilisé, tous les deux sont validés en utilisant le problème de Stefan, la fusion du gallium et la coulée continue verticale de magnésium AZ31. Plusieurs modèles de solidification sont testés, ainsi que la variation du domaine de simulation, et des rélations entre la teneur en matière solide et la température. Des comparaisons avec des résultats de mesures de la température à l’installation pilote de MgF GmbH Freiberg ainsi que la microstructure donnent des bons résultats. Des analyses de sensibilité sont effectuées afin d’évaluer l’influence des propriétés thermophysiques et des paramètres de l’installation. De plus, les cylindres sont intégrés dans la simulation pour estimer l’impact du coefficient de transfert de chaleur dépendant du lieu. Finalement, les résultats sont comparés avec ceux du Helmholtz-Centre Geesthacht.

Diese Dissertation befasst sich mit der industrienahen Herstellung von Katalysatorschichten für Polymer-Elektrolyt-Membran-Brennstoffzellen mit Hilfe des Tiefdrucks als Fertigungsverfahren. Um die Anforderungen an die Katalysatorschicht hinsichtlich der Schichtdicke zu erreichen, wird ein Linienraster für den Tiefdruck entwickelt. Das patentierte und verifizierte Designkonzept des Linienrasters ermöglicht es, trotz Tinten mit geringem Feststoffgehalt hohe Trockenschichtdicken zu erzeugen. Aufgrund des verwendeten Tiefdruckrasters sind Optimierungsschritte an der Fertigungsanlage notwendig, um eine hohe Schichtqualität zu erreichen. Schließlich werden kontinuierlich und industrienah Katalysatorschichten gefertigt, die als Membran-Elektroden-Einheit in einer Polymer-Elektrolyt-Membran-Brennstoffzelle erfolgreich eingesetzt werden. / This work presents an industrial close manufacturing process of active electrodes for Polymer Electrolyte Fuel Cells utilizing an adapted gravure printing process. To meet the requirements of the electrodes regarding the layer thickness (weight) and quality a novel line screen with maximized dipping volume for gravure printing was developed and investigated. A design rule for this kind of screens was realized and verified by a successful manufacturing of electrodes with different dried layer thicknesses. Due to the rough structure and the high dipping volumes of these line screens an adaption and optimization of the machinery and the whole process was necessary to achieve high quality electrodes. Finally, it is shown that it is possible to manufacture continuiously in an industrial close roll-to-roll process platinum loaded electrodes, working successful as cathode in a Membran-Electrode-Assembly.

Extensive theoretical studies on the ground and excited state properties of systems containing heavy atoms have shown that accurate prediction of transition energies and related properties requires the incorporation of both relativistic and higher order correlation and relaxation effects as these effects are strongly inter- wined. The relativistic and dynamical electron correlation effects can be incor- porated in many-electron systems through a variety of many-body methods like configuration interaction (CI), coupled cluster method (CCM) etc. which are very powerful and effective tool for high precision description of electron correlation in many-electron systems. In this thesis, we investigate the relativistic and correlation effects in heavy atomic and molecular systems using these two highly correlated many-body methods. It is well recognized that, heavy polar diatomic molecules such as BaF, YbF, TlF, PbO, etc. are the leading experimental candidates for the search of violation of Parity (P ) and Time-reversal (T ) symmetry. The experimental detection of such P,T-odd effects in atoms and molecules has important consequences for the theory of fundamental interactions or for physics beyond the standard model (SM). For instance, a series of experiments on TlF have already been reported which provide the tightest limit available on the tensor coupling constant C , proton electric dipole moment (EDM) dp , etc. Experiments on YbF and BaF molecules are also of fundamental significance to the study of symmetry violation in nature, as these experiments have the potential to detect effects due to the electron EDMde. It is therefore imperative that high precession calculations are necessary to interpret these ongoing (and perhaps forthcoming) experimental outcome. For example, the knowledge of the effective electric field E(characterized by Wd) at the unpaired electron is required to link the experimentally determined P,T-odd frequency shift with the electron EDM de. We begin with a brief review of P,T-odd effects in heavy atoms and polar diatomics and the possible mechanisms which can give rise to such effects, in particular, the one arises due to the intrinsic electron EDM de. The P,T-odd interaction constant Wd is computed for the ground (2∑ ) state of YbF and BaF molecules using all-electron DF orbitals at the restricted active space (RAS) CI level. The RASCI space used for both systems in this calculation is sufficiently large to incorporate important core-core, core-valence, and valence-valence electron correlation effects. In addition to Wd, we also report the dipole moment (µe ) for these systems to assess the reliability of the method. The basis set dependency of Wd is also analyzed. The single reference coupled cluster (SRCC) method, developed by the cluster expansion of a single determinant reference function, is one of the most sophisticated method for treating dynamical correlation effects in a size-extensive manner. The non-uniqueness of the exponential nature of the wave operator diversifies the methods in multi-reference context. The multi-reference coupled cluster (MRCC) strategies fall within two broad classes: (a) State-Universal (SU), a Hilbert-space approach and (b) Valence-Universal (VU), a Fock-space approach. In this thesis, we shall be mainly concerned with the VU-MRCC which unlike SU-MRCC uses a single wave operator that not only correlates the reference functions, but also all the lower valence (or the so called subdued) sectors, obtained by deleting the occupancies systematically. The linear response theory (LRT) or equation of motion (EOM) method is another possible alternative which is nowadays extensively used to compute the atomic and molecular properties. Although, the CCLRT or EOM-CC method is not fully extensive in nature, this method has some distinct advantages over the traditional VU-MRCC theory. Further, for one-valence problem like ionization processes, the CCLRT/EOM-CC is formally equivalent to VU-MRCC, and hence, size-extensive. In this thesis, the core-extensive CCLRT and core-valence extensive (all electron) VU-MRCC methods are applied to compute the ground and excited state properties of various atomic and molecular systems (HCl, CuH, Ag, Sr, Yb and Hg) using nonrelativistic and relativistic (for heavy atoms) spinors. The similarities and differences in the structure of these two formalisms are also addressed. We also investigate the ground and excited state properties of HCN which is a system of astrophysical importance. This system has raised interest among the astrophysicists due to its detection in the atmosphere of Titan and Carbon stars. HCN has also been identified via radio-techniques in both comets and interstellar atmosphere. In the ash-photolysis of oxazole, iso-oxazole, and thiozole a transient band system was observed in the region 2500-3050 Å. This band system was attributed to a meta-stable form of HCN, i.e, either HNC or triplet HCN. We carry out detailed theoretical investigations using CCLRT and complete active space self-consistent field (CASSCF) method to characterize this unidentified band and other experimentally observed transitions.

Pulse width modulation (PWM) rectifiers are extensively used in battery charger, regulated dc voltage source, UPS systems, ac line conditioner and motor drives. The conventional control schemes for these rectifiers require PLL, transformations, and input voltage sensing, which increase the cost and complexity of the controller. Simple control schemes based on resistance emulation control are developed in this thesis work for different PWM boost rectifiers. Modeling, analysis and design methods for these rectifier systems are presented. The effect of computational delay involved in digital implementation on the performance of the above rectifier systems is studied. A single-switch boost rectifier system is presented, which operates in DCM and in CCM for an output power less than and greater than 50% rated load, respectively, exploiting the best features of both the operating modes. A generalized feedforward control is presented to improve the dynamic response of output voltage of single-phase boost rectifiers against input voltage, load current and reference voltage disturbances. Feedforward control requires additional voltage and/or current measurements. A state observer is presented for estimating the inductor current of a buck rectifier, and two disturbance observers are presented to estimate the input voltage and the load current of a boost rectifier. These observers eliminate the need of additional sensors for implementing the feedforward control. The resistance emulation control is extended to four-wire PWM rectifier. Two control methods are presented. The first method makes the input currents of the rectifier proportional to their respective input voltages, while the second one balances its input currents even under unbalanced input voltage condition. A detailed analysis of line and neutral current distortions of four-wire converter is presented. A three-carrier based PWM scheme is presented, which significantly reduces the neutral current of the rectifier compared to conventional PWM scheme, when three single-phase inductors are used, and considerably reduces both line and neutral current distortions, when a three-limb inductor is used. A regenerative test setup containing two back-to-back connected three-phase PWM converters is presented for testing high-power converters in the active and reactive power circulation mode. The proposed scheme considerably reduces the cost of testing, and hence, the overall production cost of the converters compared to load-bank testing. A mathematical model is presented for the above system. A suitable control method is presented to control the two converters of the back-to-back system. A new PWM scheme is presented, which considerably reduces the requirement of the dc bus voltage of the back-to-back system compared to conventional PWM schemes. All theoretical predictions are experimentally validated. The experimental results are presented.

As the demand for energy continues to increase around the world, more vessels used in the transport of energy, such as Liquid Natural Gas (LNG) and crude oil tankers are being built to transport energy to market overseas. The escort tug has been developed in order to assist in the safe transit of such vessels in confined waterways. Designed to apply emergency braking and steering forces to the stern of a tanker while underway, an escort tug features a hull shape that generates large hydrodynamic lift and drag forces when operating at high angles of attack, this is known as indirect mode. This escorting mode is highly effective at speeds 8 knots and above, often generating towline forces well in excess of bollard pull. Escort performance prediction is a vital aspect of the design of escort tugs. It is important to know a priori if a design will meet the necessary performance criteria. In the past, performance predictions have relied heavily on model testing and empirical methods. With the recent emergence of Computational Fluid Dynamics (CFD) as a commercially viable design tool for naval architects, extensive escort performance predictions can now be carried out more accurately in less time and at less cost than was previously possible. This thesis describes the methodology of a CFD based escort performance prediction method that is accurate and cost effective. / Graduate

The phenomenon of pairing in atomic and nuclear many-body systems gives rise to a great number of different physical properties of matter, from areas as seemingly diverse as the shape of stable nuclei to superconductivity in metals and superfluidity in neutron stars. With the experimental realisation of the long sought BCS-BEC crossover observed in trapped atomic gases - where it is possible to fine tune the s-wave scattering length a of a many-fermion system between a dilute, correlated BCS-like superfluid of Cooper pairs and a densely packed BEC of composite bosons - pairing problems in atomic physics have found renewed interest in recent years. Given the high precision techniques involved in producing these trapped gas condensates, we would like to employ a suitably accurate many-body method to study such systems, preferably one which goes beyond the simple mean-field picture.The Coupled Cluster Method (CCM) is a widely applied and highly successful ab initio method in the realm of quantum many-body physics and quantum chemistry, known to be capable of producing extremely accurate results for a wide variety of different many-body systems. It has not found many applications in pairing problems however, at least not in a general sense. Our aim, therefore, is to study various models of pairing using a variety of CCM techniques - we are interested in studying the generic features of pairing problems and in particular, we are especially interested in probing the collective modes of a system which exhibits the BCS-BEC crossover, in either the BCS or BEC limit. The CCM seems a rather good candidate for the job, given the high precision results it can produce.

The diploma thesis deals with CFD simulating the air flow inside the car using the numerical calculation program Star-CCM+. The aim of the thesis was to prepare 3D geometry, resp. realistic model of the real car, preparing boundary conditions including material properties, simulating the steady state of the environment and evaluating the speed and temperature of the car cabin. The paper presents the results of the temperature distribution and air velocities in the cabin during the winter, spring and summer conditions in HVAC on and HVAC off modes. The monitored air temperatures and surface temperatures of the car parts are compared with the measured data. The average difference between simulation and measurement was at air temperatures of 2.3 °C and surface temperatures of 3.4 °C.