Les systèmes de stockage de chaleur par sorption (SSCS) ouvrent de nouvelles perspectives dans l'exploitation de l'énergie solaire pour le chauffage des bâtiments résidentiels. En effet, ces systèmes sont très prometteurs dans la mesure où ils permettent un stockage de chaleur sur de longues périodes (le stockage est réalisé sous forme de potentiel chimique) et offrent des densités énergétiques importantes (jusqu'à 230 kWh/m3 de matériau en moyenne) en comparaison aux systèmes classiques comme le stockage par chaleur sensible (qui, pour le cas de l'eau, dispose d'une densité énergétique moyenne d'environ 81 kWh/m3 de matériau pour une variation de 70°C) et le stockage par chaleur latente (qui atteint des densités énergétiques de 90 kWh/m3 de matériau).La présente thèse vise à étudier les performances d'un système de stockage de chaleur par sorption à base de zéolithe 13X intégré à un bâtiment type basse consommation. Des modèles mathématiques de transferts couplés de masse et de chaleur des différents composants du système sont développés et validés par le biais de l'expérimentation. La simulation numérique dynamique, comme outil de dimensionnement, permet, à partir des résultats d'analyses de sensibilité paramétrique sur les différents composants du système, l'étude de son fonctionnement et les critères de sa faisabilité. / Sorption heat storage systems (SHSS) open new perspectives for solar heating of residential buildings. These systems allow long term heat storage (storage is done in the form of chemical potential) and offer high energy densities (up to 230 kWh/m3 of material on average) compared to conventional heat storage systems such as sensible heat storage (which, for the case of water, has an average energy density of approximately 81 kWh/m3 of material for a temperature change of 70 °C) and latent heat storage (nearly reaching energy densities of 90 kWh/m3 of material on average).This thesis aims to study the performance of a sorption solar heat storage system on zeolite 13X, integrated to low-energy building. Mathematical models of coupled heat and mass transfer of various components of the system are developed and validated through experimentation. Numerical dynamic simulations allow to study the functioning of the SHSS in specific conditions, and its design with the results from the parametric sensitivity analysis on its components.

The world is constantly striving towards a more sustainable living, where every part of contribution is greatly appreciated. When it comes to heating of buildings, district heating is often the main source of heat. During specific times, peak demands are created by the tenants who are demanding a lot of heat at the same time. This demand peak puts a high load on the piping system as well as the need for certain peak boilers that run on non-environmental friendly peak fuel. One solution that is presented in this degree project that solves the time difference between production and demand is by utilizing thermal storage solutions. A dynamic district heated building model is developed with proper heat propagation in the pipelines, thermal inertia in the building and heat losses through the walls of the building. This is all done utilizing 4th generation district heating temperatures. Modelica is the tool that was used to simulate different scenarios, where the preheating of indoor temperature is done to mitigate the possibility for demand peaks. Using an already existing model, implementation and adjustments are done to simulate thermal storage and investigate its effectiveness in a 4th generation district heating system. The results show that short-term energy storage is a viable solution in concrete buildings due to high building mass. However, combining both 4th generation district heating with storage in thermal mass is shown not to be suitable due to low temperatures of supply water, which is not able to increase the temperature of the building’s mass enough.

La sécurité des procédés est une préoccupation majeure dans l'industrie du raffinage et de pétrochimie. Pour les procédés très exothermiques, l'emballement thermique doit être évité. Ainsi, l'objectif de la thèse est la mise en place d'une méthodologie d'étude de la stabilité thermique dans les réacteurs chimiques qui permet de déterminer les zones opératoires de fonctionnement stable du réacteur. Après le développement d'un modèle dynamique de réacteur, la méthodologie consiste à cartographier les zones de stabilité et d'instabilité du système réactionnel en régime stationnaire et dynamique. Le critère de Van Heerden (régime stationnaire) à été généralisé pour application à des systèmes réactionnels complexes. La méthode de perturbation des états stationnaires (régime dynamique) a aussi été intégrée à la méthodologie avec l'analyse des valeurs propres.Cette méthodologie a été appliquée au procédé d'hydroconversion en lit bouillonnant de charges pétrolières lourdes, ceci à l'échelle pilote et industrielle. Des modèles dynamiques adaptés au procédé pilote et industriel ont été développés. Ils tiennent en compte la complexité de la charge ainsi que le schéma des deux procédés. L'étude de la stabilité stationnaire et dynamique a été réalisée. Des cartographies de stabilité/instabilité en fonction des principaux paramètres du procédé ont été tracées. D'après les résultats obtenus, la plage stable pour réacteur pilote est plus large que pour le réacteur industriel. La variation des paramètres du procédé ont le même effet sur les deux réacteurs. Les cartographies de stabilité obtenues sont un outil indispensable pour l'ingénieur lors du design des procédés ou leur opération. / In refining and petrochemistry process safety is a major issue. For highly exothermic processes it is necessary to ensure in a rigorous way the safe that the process operates in safe conditions, hence avoiding thermal runaway. The objective of this thesis was to develop a methodology to determine the operating conditions of reliable operation of chemical reactors. The methodology relies on stationary and dynamic analysis. The stationary stability analysis based on the Van Heerden criterion was generalized to complex chemical systems. The dynamic analysis applies the perturbation theory to definitely determine if a stationary point is stable according to eigenvalue analysis.The methodology was applied to ebullated-bed technology for residue hydroconversion at pilot and industrial scale. Two comprehensive dynamic models that accurately represent the ebullated-bed pilot plant and industrial process were developed for the study. The models take into account a detailed description of the reactive system and the configuration of the pilot and industrial plants: three phases, kinetics and flow characterization. A stationary and dynamic thermal stability analysis was carried out for both configurations and stable/unstable operating regions were identified. The study showed that the pilot plant reactor can operate in a larger domain of operating conditions compared to the industrial reactor while the parameters have the same effect on both reactors. The resulting reactor operation diagrams are a essential guide for engineers in the reactor design and operation practice.

Une méthode de couplage continu-discret a été développée pour simuler les mécanismes complexes d'endommagement de la silice soumise à un choc laser de haute puissance. Dans un premier temps, une classification des méthodes numériques existantes a été faite pour choisir celles les mieux adaptées à la simulation du comportement sous choc de la silice. Comme résultat de cette classification, deux méthodes ont été retenues: la méthode des éléments discrets (DEM) et la méthode des éléments naturels contraints (CNEM). Ces méthodes sont alors couplées en se basant sur la technique dite "Arlequin". Puis, un modèle numérique permettant de tenir compte des différents phénomènes qui caractérise le comportement de la silice sous haute pression a été développé. Pour bien caractériser les mécanismes de fissuration de la silice à l’échelle microscopique, un nouveau modèle de rupture a été développé dans ce travail. Finalement, ces deux modèles, modèle de comportement et modèle de rupture, ont été intégrés dans la méthode du couplage pour simuler d'un point de vue mécanique le choc laser sur un échantillon en silice. / A discrete-continuum coupling approach has been developed to simulate the laser-induced damage in silica glass. First, a classification of the different numerical methods has been performed to select the ones that best meet the objectives of this work. Acting upon this classification, the Discrete Element Method (DEM) and the Constrained Natural Element Method (CNEM) have been retained. Subsequently, a coupling approach between these methods has been proposed. This approach is based on the Arlequin technique. In the second part, a numerical model of the silica glass mechanical behavior has been developed to better characterize the silica glass response under highly dynamic loadings and particularly loading generated by a laser beam. To correctly characterize the silica glass cracking mechanisms, a new fracture model has been proposed in this work. Finally, all these developments have been used to simulate the laser-induced damage in silica glass.

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This work includes the theory of circuit breaker construction and is focused mainly on overload function. It mainly deals with electronic circuit breakers, i.e. equipped with an electronic trip unit. The work is focused on the part of trip unit - maglatch of trip unit. For the purposes of simulation, the geometric model is created. Maxwell program is used for the simulation. The work describes the options for conditions input which are necessary for simulation. Using the distribution of magnetic field intensity and magnetic flux density in the section of trip unit maglatch is determined by the simulation. Furthermore, the force effects acting on the armature of the maglatch are calculated. Force values and the directions acting on the armature are determined by changing the simulation parameters - shift of the armature and coil current. Simulations are performed both for steady-state and for dynamic simulation – movement of armature is taken into account. The supply source for the maglatch is created by an external circuit.

This diploma thesis deals with the solution of the trailer frame Variant 350 for transport of cable reels. The aim of this work is to drive a dynamic simulation of a cable lift generated by the track and in specific places to find this track burdensome conditions that affect the design of the frame. According to these states gained strenght to control the finite element method, implement and then modify the design and then create construction drawings prepared.

NANDRAD is a dynamic building energy simulation program. It calulates heating/cooling requirements and electric power consumption with respect to realistic climatic conditions and dynamic room usage. The model includes one-dimensional spatially resolved heat transport through multi-layered walls and thermal storage of solid components (room furniture/building walls). Consequently, massive constructions forms in the European area are very well represented. Further, NANDRAD calculates geometrical long radiation heat exchange inside the room. Heating systems may be modeled with a high level of geometrical detail, i.e. surface heating systems as part of the wall constructions and radiant heaters inside the room. NANDRAD can be applied for passive building simulation, energy optimization and thermal comfort analysis with respect to a very detailed building representation. In this terms, the model supports the simulation of a large number of zones and walls without need for subgrouping or other model reduction strategies.:1 Introduction 2 NANDRAD multi-zone building model 2.1 Fundamentals 2.2 Building component models 2.3 Building services and usage 2.4 Climatic model 3 Model equations 3.1 Balance equations 3.2 Construction balance boundary conditions 3.3 Construction energy sources/sinks 3.4 Windows 3.5 Ambient environment 3.6 Zone internal loads 3.7 Construction internal heat sources 3.8 Loads on inside interfaces 3.9 Evaluation of thermal comfort

In dieser Arbeit werden neuartige Flachrohre für die Verwendung als Rückwandverflüssiger in der Haushaltskältetechnik mit numerischen und dynamischen Simulationen sowie Experimenten untersucht. Dabei kommen unterschiedliche überströmte Längen sowie der Einfluss horizontaler Abstände auf den Wärmeübergang durch freie Konvektion zur Betrachtung. Realisiert wird die numerische Strömungssimulation mit der Software Fluent 3.6.26, wobei das RNG-k-epsilon- als Turbulenzmodell und diskrete Ordinaten zur zusätzlichen Modellierung des Strahlungswärmeübergangs verwendet werden. Zur Verifizierung werden experimentelle Untersuchungen mit natürlicher Konvektion durchgeführt. Ebenso kommt ein kompakter Verflüssiger bei erzwungener Konvektion zur experimentellen Analyse. Mit einem neuen Verflüssigermodell wird außerdem ein Haushaltskühlschrank in Modelica 2.2.1 dynamisch simuliert. Diese Arbeit zeigt, dass die Verwendung eines Flachrohrverflüssigers großes Potenzial einer konkurrenzfähigen Alternative zu konventionellen Verflüssigern besitzt. / In this work novel flat tubes used as rear panel condensers in the household refrigeration technology are examined with numerical and dynamic simulations as well as experiments. Therefore different overflowed lengths and the influence of horizontal spacing on the heat transfer by free convection are taken into consideration. The CFD calculations are realized with the software Fluent 3.6.26, where the RNG-k-epsilon turbulence model and discrete ordinates for an additional modelling of radiation heat transfer are applied. For the verification, experimental studies with natural convection are carried out. Likewise, a compact condenser is experimentally analysed in forced convection. With a new model for the liquefier a domestic refrigerator is also dynamically simulated in Modelica 2.2.1. This work shows that the use of a flat tube condenser has a great potential of a competitive alternative to conventional liquefiers.

Micro-pollutants such as 17β-estradiol (E2) have been detected in different water resources and their negative effects on the environment and organisms have been demonstrated. It is essential to confirm the presence of micro-pollutants in different environments by biosensors and to remove these compounds. In this thesis, E2-binding target structures were used to investigate the underlying binding properties. E2-binding protein, DNA-, and PNA-aptamere (peptide nucleic acid) structures were used as targets to determine physicochemical interactions. The protein dataset consist of 35 publicly accessible three-dimensional structures of E2-protein complexes, from which six representative binding sites could be selected. There is no three-dimensional structure information for an E2-specific DNA aptamer, thus it was modeled using a coarse-grained modeling method. Using sequence information additional DNA aptamers were modeled. The E2 ligand was positioned close to the potential binding area of the aptamer structures, the underlying complexes were investigated by a molecular dynamics simulation, and the interactions were examined by an interaction profiler tool for each time step. A PNA generator was developed that can convert DNA and RNA in silico to more robust, but chemically equivalent PNA. This generator was used to transform the E2-specific DNA aptamer into PNA for binding studies with E2. All formed complexes were investigated with respect to the following non-covalent interaction types: hydrogen bonds, water-mediated hydrogen bonds, π-stacking, and hydrophobic interactions. Ten functional groups could be derived which formed the conserved interactions to E2. The study contributes to the understanding of the behavior of ligands that bind through different target structures in an aqueous solution and to the identification of binding specific interaction partners. The results of this thesis can be used to design novel synthetic receptor and filter systems.