Dissertations / Theses on the topic 'Modelling WPT'

Controlled Start Transmissions (CST) can be described as a mechanical transmission combined with a wet clutch for controlled torque output. CST:s are commonly used to start up heavy loads for example mining conveyors. Several CST:s can work together to share the load. The transferred torque is controlled by a hydraulic wet clutch which is a proven technology for high torque transfer and low wear. This thesis is a part of a project to increase the knowledge and improve the CST design and control performance. The heat generation in the wet clutch is the focus of this thesis. Literature review shows that most research is done in order to get high accuracy for smaller clutches and most of the high torque engagements have very short transients.Models for the CST clutch heat generation together with thermal behavior have been developed and investigated. This includes a temperature model together with a kinetic model of the gearbox and a clutch torque model. Validation of separate model components and sensitivity analysis of the parameters are made. The developed model is then analyzed by comparing measurements from a commission site and simulations to get an idea of how much heat is generated.

Le chitosane est un polymère naturel obtenu par deacétylation de la chitine. Ce polysaccharide est bien connu pour ses propriétés biologiques exceptionnelles : il est biocompatible et biorésorbable. Les fibres de chitosane peuvent être utilisées en chirurgie. L'objectif de cette thèse est d'étudier les phénomènes physico-chimiques mis en jeu, de développer un modèle du procédé, afin d'optimiser le procédé de filage mis au point au laboratoire.Après une revue de la littérature dans le premier chapitre, les techniques expérimentales d'obtention, de purification, et de caractérisation du chitosane sont décrits dans le deuxième chapitre. Une étude de la structure du chitosane obtenu est présentée. C'est l'un des résultats originaux de ce travail.Le principe du procédé étant par coagulation en solution, il est essentiel de déterminer dans quelle condition celle-ci s'effectue, et quel est le paramètre déterminant. Les études précédentes ont montré que celui-ci est le coefficient de diffusion de la soude dans le milieu. A cet effet, des mesures ont été effectuées, dans des géométries différentes. Cette étude constitue le travail présenté dans le chapitre trois.Dans le chapitre quatre est présentée une technique consistant à suivre au moyen d'un microscope l'avancée du front de coagulation. Cette technique a permis de déterminer précisément le coefficient de diffusion.Le dernier chapitre a consisté à élaborer des fibres au moyen d'un banc que possède le laboratoire (IMP Lyon 1). L'étape ultime de ce travail a été de modéliser le procédé, de prévoir les diamètres intérieur et extérieur des fibres obtenues, et de comparer le résultat de la modélisation aux résultats expérimentaux
Chitosan is a natural polymer obtained by deacetylation of chitin. This polysaccharide is well known for its exceptional biological properties: it is biocompatible and bio absorbable. Chitosan fibers can be used in surgery.The objective of this thesis is to study the physicochemical phenomena involved, to develop a process model, to optimize the filtering process in the laboratory.After a review of the literature in the first chapter, the experimental techniques for obtaining, purifying and characterizing chitosan are described in the second chapter. A study of the structure of the chitosan obtained is presented. This is one of the original results of this work.The principle of the coagulation method in solution, it is essential to determine in what condition it, and what is the determining parameter. Previous studies have shown that this is the diffusion coefficient of soda in the medium. One effect, measurements were made, in different geometries. This study constitutes the work presented in Chapter Three.In chapter four is presented a technique consisting in following by means of a microscope the advance of the coagulation front. This technique makes it possible to determine the diffusion coefficient.The last chapter consisted of developing fibers using a small scale plant existing in laboratory (IMP Lyon 1). The final element of this work consists of modelling the process, calculating the inside and outside diameters of the fibers obtained and comparing the result of the modelling with the experimental results

This thesis is concerned with experimental studies of nucleating and wet steam flows over cascades of turbine blading. To simulate conditions in actual turbine flows it is necessary to produce nucleation in sub-sonic flows. has been achieved by the blow-down technique. The classical nucleation theory and the equations describing the growth of droplets are outlined in the literature survey. Application to one- and two-dimensional flows of condensing steam are also given. This is followed by a brief account of the effects of wetness on the flow through turbines.

The prediction of residual oil saturation (Sor) and relative permeabilities after waterflooding in mixed-wet systems is a very challenging task. These are important parameters which must be estimated for a full field simulation of waterflooding. The Sor also defines the target oil for any proposed EOR process after an initial waterflood. Pore-scale network modelling can be used to estimate relative permeabilities, and the amount and nature of the trapped residual oil if the correct physics of oil displacement are properly included. During the waterflooding of mixed-wet systems, oil may drain down to relatively low residual saturations. Such Sor levels can only be calculated correctly when oil layers in pore corners are included in the pore-scale modelling. van Dijke and Sorbie (J. Coll. Int. Sci. 293 (2006) 455) obtained an accurate thermodynamically derived criterion for oil layers’ existence in pores with non-uniform wettability caused by ageing, which is more restrictive than the previously used geometrical layer existence criterion. This thermodynamic criterion has been included in a newly developed two-phase pore network model to calculate realistic Sor values for mixed-wet sandstones. A new ncornered star pore shape characterization technique has also been implemented in this model since the precise description of the pore shape was found to be important. Two unstructured networks, derived from Berea sandstone have been used for a number of sensitivities of the Sor and relative permeabilities with respect to wettability conditions. It is shown that Sor is lower for the more strongly oil-wet cases, while the water relative permeability curves increase gradually with oil-wetness at the higher water saturations. It has also been shown that pore shape approximations and oil layers collapse criterion have a significant impact on the Sor and the relative permeabilities. In particular, the thermodynamic oil layer existence criterion gives higher and more realistic Sor compared to previously used geometrical criterion. The network modelling has been used to match experimental data for water-wet and mixed-wet systems. In particular, the good agreement with mixed-wet systems strongly indicates that using the correct oil layer existence criteria is a significant step forward in the reliable prediction of Sor.

Wet age related macular degeneration (wet AMD) is a highly debilitating retinal disease, the third leading cause of blindness in the world and one the most expensive ocular conditions to care for. Wet AMD is characterised by the proliferation of neovasculature through the retinal posterior and theorised to be, at least in part, induced and driven by excess vascular endothelial growth factor (VEGF). Many current treatments for wet AMD utilise anti-VEGF macromolecules that bind to VEGF. The retina, however, remains a largely inaccessible, and delicate, anatomical region. Due to difficulties in collecting clinical and experimental data, mathematical modelling is playing an increasingly prominent role in understanding the distribution (Pharmacokinetics, PK) and drug-to-target interactions (Pharmacodynamics, PD) for treatments of wet AMD. This thesis will focus on ordinary/partial differential equation (ODE/PDE) models for the PK/PD of anti-VEGF therapeutics, administered via intravitreal (IVT) injection into the mammalian eye. We start in Chapter 2 with a 2-compartment PK/PD ODE model of drug-VEGF interactions in the eye, analysing a clinical dataset to estimate key binding parameters between VEGF and the typical anti-VEGF molecule, ranibizumab. In Chapter 3, we extend the PK ODE framework of the 2-compartment model to include a mechanistic description of the retina, to estimate retinal permeability to macromolecules used for treating wet AMD. In Chapter 4, using the retinal PK model, we reintroduce VEGF to predict concentrations of free VEGF in the retina post-IVT injection. Chapters 5 and 6 model a hypothetical class of anti-VEGF molecules designed to bind not only VEGF but also existing vitreal superstructures, analysing how dose and binding kinetics impact ocular retention. Alongside these models we present analogous PDE models, addressing whether the assumption that concentrations are homogeneous across anatomical regions, as implicit in ODE models, is appropriate for macromolecular PK/PD in the mammalian eye.

The determination of the zenith wet delay (ZWD) component can be a difficult task due to the dynamic nature of atmospheric water vapour. However, precise estimation of the ZWD is essential for high-precision Global Navigation Satellite System (GNSS) applications such as real-time positioning and Numerical Weather Prediction (NWP) modelling.The functional and stochastic models that can be used for the estimation of the tropospheric parameters from GNSS measurements are presented and discussed in this study. The focus is to determine the ZWD in an efficient manner in static mode. In GNSS, the estimation of the ZWD is directly impacted by the choice of stochastic model used in the estimation process. In this thesis, the rigorous Minimum Norm Quadratic Unbiased Estimation (MINQUE) method was investigated and compared with traditional models such as the equal-weighting model (EWM) and the elevationangle dependent model (EADM). A variation of the MINQUE method was also introduced. A simulation study of these models resulted in MINQUE outperforming the other stochastic models by at least 36% in resolving the height component. However, this superiority did not lead to better ZWD estimates. In fact, the EADM provided the most accurate set of ZWD estimates among all the models tested. The EADM also yielded the best ZWD estimates in the real data analyses for two independent baselines in Australia and in Europe, respectively.The study also assessed the validity of a baseline approach, with a reduced processing window size, to provide good ZWD estimates at Continuously Operating Reference Stations (CORS) in an efficient manner. Results show that if the a-priori station coordinates are accurately known, the baseline approach, along with a 2-hour processing window, can produce ZWD estimates that are statistically in good agreement with the estimates from external sources such as the radiosonde (RS), water vapour radiometer (WVR) and International GNSS Service (IGS) solutions. Resolving the ZWD from GNSS measurements in such a timely manner can aid NWP model in providing near real-time weather forecasts in the data assimilation process.In the real-time kinematic modelling of GNSS measurements, the first-order Gauss- Markov (GM) autocorrelation model is commonly used for the dynamic model in Kalman filtering. However, for the purpose of ZWD estimation, it was found that the GM model consistently underestimates the temporal correlations that exist among the ZWD measurements. Therefore, a new autocorrelation dynamic model is proposed in a form similar to that of a hyperbolic function. The proposed model initially requires a small number of autocorrelation estimates using the standard autocorrelation formulations. With these autocorrelation estimates, the least-squares method is then implemented to solve for the model’s parameter coefficients. Once solved, the model is then fully defined. The proposed model was shown to be able to follow the autocorrelation trend better than the GM model. Additionally, analysis of real data at an Australian IGS station has showed the proposed model performed better than the random-walk model, and just as well as the GM model. The proposed model was able to provide near real-time (i.e. 30 seconds interval) ZTD estimates to within 2 cm accuracy on average.The thesis also included an investigation into the several interpolation models for estimating missing ZWD observations that may take place during temporary breakdowns of GNSS stations, or malfunctions of RS and WVR equipments. Results indicated marginal differences between the polynomial regression models, linear interpolation, fast-Fourier transform and simple Kriging methods. However, the linear interpolation method, which is dependent on the two most recent data points, is preferable due to its simplicity. This result corresponded well with the autocorrelation analysis of the ZWD estimates where significant temporal correlations were observed for at most two hours.The study concluded with an evaluation of several trend and smoothing models to determine the best models for predicting ZWD estimates, which can help improve real-time kinematic (RTK) positioning by mitigating the tropospheric effect. The moving average (MA) and the single-exponential smoothing (SES) models were shown to be the best-performing prediction models overall. These two models were able to provide ZWD estimates with forecast errors of less 10% for up to 4 hours of prediction.

Wastewater treatment and re-use of industrial process water is a critical issue for the suitable development of human activities. The need for effective water recycling has reinforced the research on tailored low cost pollution abatement since the existing solutions are not longer universal. In particular, the emerging Catalytic Wet Air Oxidation (CWAO) process is one of the most promising technologies for the remediation of moderately concentrated and/or biotoxic water pollutants, when a stable and active catalyst can be provided. To this purpose, the catalytic activity and stability of active carbon was tested in the CWAO of the target compound, phenol, at mild conditions of temperature and pressure. The active carbon, which is a relatively inexpensive catalytic material is shown to be stable and to yield higher phenol destruction and less toxic partial mineralisation products, compared to a widely used copper oxide catalyst. During the CWAO of phenol, numerous partial oxidation products appeared and the knowledge of the kinetics that control their oxidation process is fundamental for the design, modelling and scale up of CWAO pilot plant or industrial units. Complex kinetic modelling was undertaken using both the classical gradient based method and a stochastic algorithm termed Simulated Annealing (SA). SA was shown to perform better in the identification of multiparameter kinetic reaction schemes, allowing to improve the kinetic modelling of CWAO beyond the actual state of art in this field. Detailed kinetic analysis of CWAO is scarce in the literature and the same situation holds for engineering studies. There is a clear need for the simultaneous development of process chemistry and engineering aspects. Consequently, we parallely focused on the state of art modelling of a Trickle Bed Reactor (TBR), being the priority candidate of best performing CWAO reactor. First, the ability of TBR in CWAO was affirmed by appropriate experimental comparison of batch slurry reactor and continuous fixed bed reactors operating either in the cocurrent downflow mode (TBR), or upflow mode (FBR) of the gas and liquid flow. A phenomenological transport-reaction model of the TBR was then developed and programmed. The TBR model implements the previously obtained oxidation kinetics and emphasis on important aspects of TBR, namely catalyst wetting, and mass transfer between the phases. Non-isothermal operation is also accounted for to face the need for autothermal operation, lowering the global process costs. The validation of the model was successfully done with the available experimental data from the laboratory TBR and thus provided a reliable tool for the scale up study of the CWAO process. The outcomings of this model aided scale up, allow to give recommendation on the design and operation of industrial units, thereby making more reliable the implementation of CWAO units on an industrial level.
El tratamiento y el reciclaje de afluentes acuosos son de máximo interés para conseguir un desarrollo sostenible de las actividades humanas. La necesidad de aprovechar en un futuro cercano las aguas residuales de procesos industriales de un modo eficaz ha reforzado la investigación sobre métodos de bajo coste para su recuperación, dado que las tecnologías existentes ya no son universalmente aplicables. La oxidación catalítica por vía húmeda (CWAO) es uno de los procesos emergentes más prometedores particularmente para el tratamiento de aguas contaminadas con materia orgánica, en concentraciones medio altas, y/o biotóxica. Sin embargo, la implementación del método es adecuada siempre que se use un catalizador activo y estable. Con este propósito, la actividad catalítica y la estabilidad del carbón activo se ha comprobado en la CWAO usando como compuesto modelo el fenol. En condiciones de temperatura y presión moderadas el carbón activo ha demostrado ser un material catalítico barato, que a la vez, es estable, mas activo en la conversión de fenol, además produciendo menor cantidad de productos de oxidación parcial tóxicos que los catalizadores soportados convencionales. Durante la CWAO del fenol, numerosos productos intermedios se forman, por lo que el conocimiento de la cinética de su oxidación es fundamental para el diseño, modelización y escalado fiable del proceso a escala de planta piloto o incluso industrial. Debido a la insuficiencia de los clásicos métodos de optimización para llevar acabo la estimación de parámetros en modelos de alta complejidad, el uso de algoritmos estocásticos se ha probado con éxito, permitiendo el desarrollo de modelos cinéticos más avanzados que los que se implementan actualmente en el campo de la CWAO. El desarrollo de modelos cinéticos complejos es escaso en la literatura actual, así como los estudios que tratan los aspectos químicos y de ingeniería del proceso de la CWAO. Sin embargo, hay una necesidad clara para el desarrollo simultaneo de los aspectos químicos y de ingeniería de la tecnología. Consecuentemente, en paralelo se ha enfocado en la modelización de un reactor de goteo (TBR), según el estado de arte actual en el campo de estos reactores. Es demostrado que estos reactores son más adecuados que los reactores agitados con catalizador en suspención para la CWAO de compuestos orgánicos que tienden a reacciones de polimerización en fase liquida. Además se han probado dos distintos modos de operación, con flujo de gas y liquido cocorriente descendiente o ascendiente, y se ha demostrado que la primera forma de operación es la mas adecuada para este sistema. A continuación un modelo fenomenológico para el TBR ha sido desarrollado y programado. El modelo implementa la cinética previamente obtenida, y además se ha puesto énfasis en la incorporación de los efectos de mojado, y de transferencia de materia. La operación no isotérmica se ha estudiado también para investigar la posibilidad de operar de modo autotérmico, disminuyendo así los costes de operación del proceso. La validación del modelo fenomenológico con los datos experimentales obtenidos en el TBR del laboratorio ha sido favorable. Posteriormente, este modelo ha sido utilizado como una herramienta fiable para el escalado del proceso. Los resultados obtenidos de la modelización del escalado permiten la extracción de recomendaciones sobre el diseño y la operación de unidades industriales, haciendo más fiable la aplicación del método a escala industrial.

During combustion of biomass, particulate matter is emitted, which has severe health impacts on humans. The company ITK Envifront has developed a scrubber technology that cleans the flue gas while also recovering the flue gas energy, increasing the efficiency of the combustion plant. In this thesis, a simulation model was built in MATLAB according to the Finite Element Method. Validation of the model against 3 different facilities showed reasonable accuracy with a tendency to overestimate the scrubber heat recovery and a mean prediction deviation of approximately 7 %. The model was then used to make suggestions for process optimization. An increase of funnel height, and number of spray nozzles could increase the scrubbers heat recovery with up to 7 % and 8 %, respectively. Addition of moisture to the flue gas through evaporation of water droplets had the potential to increase scrubber efficiency with 10 %, and usage of the highest setting of the adjustable nozzle bank showed the potential to increase the efficiency with up to 5 % compared to the mid-setting. Furthermore, the process parameters of a scrubber with optimized running conditions, was compared to a scrubber with the current running conditions, through running of the developed model. The optimized running conditions showed an increase in scrubber efficiency with up to 14 %, resulting in an increase in scrubber heat recovery of approx. 90 kW at a boiler load of 3 MW. As a final conclusion, the developed model shows great potential to be used to as a toolbox to further investigate and optimize the scrubber design and operation. As a future work, it would be interesting to further model its performance regarding particle removal.

[EN] The main topic of the present thesis is the improvement of fabrication processes simulation by means of the Level Set (LS) method. The LS is a mathematical approach used for evolving fronts according to a motion defined by certain laws. The main advantage of this method is that the front is embedded inside a higher dimensional function such that updating this function instead of directly the front itself enables a trivial handling of complex situations like the splitting or coalescing of multiple fronts. In particular, this document is focused on wet and dry etching processes, which are widely used in the micromachining process of Micro-Electro-Mechanical Systems (MEMS). A MEMS is a system formed by mechanical elements, sensors, actuators, and electronics. These devices have gained a lot of popularity in last decades and are employed in several industry fields such as automotive security, motion sensors, and smartphones. Wet etching process consists in removing selectively substrate material (e.g. silicon or quartz) with a liquid solution in order to form a certain structure. This is a complex process since the result of a particular experiment depends on many factors, such as crystallographic structure of the material, etchant solution or its temperature. Similarly, dry etching processes are used for removing substrate material, however, gaseous substances are employed in the etching stage. In both cases, the usage of a simulator capable of predicting accurately the result of a certain experiment would imply a significant reduction of design time and costs. There exist a few LS-based wet etching simulators but they have many limitations and they have never been validated with real experiments. On the other hand, atomistic models are currently considered the most advanced simulators. Nevertheless, atomistic simulators present some drawbacks like the requirement of a prior calibration process in order to use the experimental data. Additionally, a lot of effort must be invested to create an atomistic model for simulating the etching process of substrate materials with different atomistic structures. Furthermore, the final result is always formed by unconnected atoms, which makes difficult a proper visualization and understanding of complex structures, thus, usually an additional visualization technique must be employed. For its part, dry etching simulators usually employ an explicit representation technique to evolve the surface being etched according to etching models. This strategy can produce unrealistic results, specially in complex situations like the interaction of multiple surfaces. Despite some models that use implicit representation have been published, they have never been directly compared with real experiments and computational performance of the implementations have not been properly analysed. The commented limitations are addressed in the various chapters of the present thesis, producing the following contributions: - An efficient LS implementation in order to improve the visual representation of atomistic wet etching simulators. This implementation produces continuous surfaces from atomistic results. - Definition of a new LS-based model which can directly use experimental data of many etchant solutions (such as KOH, TMAH, NH4HF2, and IPA and Triton additives) to simulate wet etching processes of various substrate materials (e.g. silicon and quartz). - Validation of the developed wet etching simulator by comparing it to experimental and atomistic simulator results. - Implementation of a LS-based tool which evolves the surface being etched according to dry etching models in order to enable the simulation of complex processes. This implementation is also validated experimentally. - Acceleration of the developed wet and dry etching simulators by using Graphics Processing Units (GPUs).
[ES] El tema principal de la presente tesis consiste en mejorar la simulación de los procesos de fabricación utilizando el método Level Set (LS). El LS es una técnica matemática utilizada para la evolución de frentes según un movimiento definido por unas leyes. La principal ventaja de este método es que el frente está embebido dentro de una función definida en una dimensión superior. Actualizar dicha función en lugar del propio frente permite tratar de forma trivial situaciones complejas como la separación o la colisión de diversos frentes. En concreto, este documento se centra en los procesos de atacado húmedo y seco, los cuales son ampliamente utilizados en el proceso de fabricación de Sistemas Micro-Electro-Mecánicos (MEMS, de sus siglas en inglés). Un MEMS es un sistema formado por elementos mecánicos, sensores, actuadores y electrónica. Estos dispositivos hoy en día son utilizados en muchos campos de la industria como la seguridad automovilística, sensores de movimiento y teléfonos inteligentes. El proceso de atacado húmedo consiste en eliminar de forma selectiva el material del sustrato (por ejemplo, silicio o cuarzo) con una solución líquida con el fin de formar una estructura específica. Éste es un proceso complejo pues el resultado depende de muchos factores, tales como la estructura cristalográfica del material, la solución atacante o su temperatura. De forma similar, los procesos de atacado seco son utilizados para eliminar el material del sustrato, sin embargo, se utilizan sustancias gaseosas en la fase de atacado. En ambos casos, la utilización de un simulador capaz de predecir de forma precisa el resultado de un experimento concreto implicaría una reducción significativa del tiempo de diseño y de los costes. Existen unos pocos simuladores del proceso de atacado húmedo basados en el método LS, no obstante tienen muchas limitaciones y nunca han sido validados con experimentos reales. Por otro lado, los simuladores atomísticos son hoy en día considerados los simuladores más avanzados pero tienen algunos inconvenientes como la necesidad de un proceso de calibración previo para poder utilizar los datos experimentales. Además, debe invertirse mucho esfuerzo para crear un modelo atomístico para la simulación de materiales de sustrato con distintas estructuras atomísticas. Asimismo, el resultado final siempre está formado por átomos inconexos que dificultan una correcta visualización y un correcto entendimiento de aquellas estructuras complejas, por tanto, normalmente debe emplearse una técnica adicional para la visualización de dichos resultados. Por su parte, los simuladores del proceso de atacado seco normalmente utilizan técnicas de representación explícita para evolucionar, según los modelos de atacado, la superficie que está siendo atacada. Esta técnica puede producir resultados poco realistas, sobre todo en situaciones complejas como la interacción de múltiples superficies. A pesar de que unos pocos modelos son capaces de solventar estos problemas, nunca han sido comparados con experimentos reales ni el rendimiento computacional de las correspondientes implementaciones ha sido adecuadamente analizado. Las expuestas limitaciones son abordadas en la presente tesis y se han producido las siguientes contribuciones: - Implementación eficiente del método LS para mejorar la representación visual de los simuladores atomísticos del proceso de atacado húmedo. - Definición de un nuevo modelo basado en el LS que pueda usar directamente los datos experimentales de muchos atacantes para simular el proceso de atacado húmedo de diversos materiales de sustrato. - Validación del simulador comparándolo con resultados experimentales y con los de simuladores atomísticos. - Implementación de una herramienta basada en el método LS que evolucione la superficie que está siendo atacada según los modelos de atacado seco para habilitar la simulación de procesos comple
[CAT] El tema principal de la present tesi consisteix en millorar la simulació de processos de fabricació mitjançant el mètode Level Set (LS). El LS és una tècnica matemàtica utilitzada per a l'evolució de fronts segons un moviment definit per unes lleis en concret. El principal avantatge d'aquest mètode és que el front està embegut dins d'una funció definida en una dimensió superior. D'aquesta forma, actualitzar la dita funció en lloc del propi front, permet tractar de forma trivial situacions complexes com la separació o la col·lisió de diversos fronts. En concret, aquest document es centra en els processos d'atacat humit i sec, els quals són àmpliament utilitzats en el procés de fabricació de Sistemes Micro-Electro-Mecànics (MEMS, de les sigles en anglès). Un MEMS és un sistema format per elements mecànics, sensors, actuadors i electrònica. Aquests dispositius han guanyat molta popularitat en les últimes dècades i són utilitzats en molts camps de la indústria, com la seguretat automobilística, sensors de moviment i telèfons intel·ligents. El procés d'atacat humit consisteix en eliminar de forma selectiva el material del substrat (per exemple, silici o quars) amb una solució líquida, amb la finalitat de formar una estructura específica. Aquest és un procés complex ja que el resultat de un determinat experiment depèn de molts factors, com l'estructura cristal·logràfica del material, la solució atacant o la seva temperatura. De manera similar, els processos d'atacat sec son utilitzats per a eliminar el material del substrat, no obstant, s'utilitzen substàncies gasoses en la fase d'atacat. En ambdós casos, la utilització d'un simulador capaç de predir de forma precisa el resultat d'un experiment en concret implicaria una reducció significativa del temps de disseny i dels costos. Existeixen uns pocs simuladors del procés d'atacat humit basats en el mètode LS, no obstant tenen moltes limitacions i mai han sigut validats amb experiments reals. Per la seva part, els simuladors atomístics tenen alguns inconvenients com la necessitat d'un procés de calibratge previ per a poder utilitzar les dades experimentals. A més, deu invertir-se molt d'esforç per crear un model atomístic per a la simulació de materials de substrat amb diferents estructures atomístiques. Així mateix, el resultat final sempre està format per àtoms inconnexos que dificulten una correcta visualització i un correcte enteniment d'aquelles estructures complexes, per tant, normalment deu emprar-se una tècnica addicional per a la visualització d'aquests resultats. D'altra banda, els simuladors del procés d'atacat sec normalment utilitzen tècniques de representació explícita per evolucionar, segons els models d'atacat, la superfície que està sent atacada. Aquesta tècnica pot introduir resultats poc realistes, sobretot en situacions complexes com per exemple la interacció de múltiples superfícies. A pesar que uns pocs models son capaços de resoldre aquests problemes, mai han sigut comparats amb experiments reals ni tampoc el rendiment computacional de les corresponents implementacions ha sigut adequadament analitzat. Les exposades limitacions son abordades en els diferents capítols de la present tesi i s'han produït les següents contribucions: - Implementació eficient del mètode LS per millorar la representació visual dels simuladors atomístics del procés d'atacat humit. - Definició d'un nou model basat en el mètode LS que puga utilitzar directament les dades experimentals de molts atacants per a simular el procés d'atacat humit de diversos materials de substrat. - Validació del simulador d'atacat humit desenvolupat comparant-lo amb resultats experimentals i amb els de simuladors atomístics. - Implementació d'una ferramenta basada en el mètode LS que evolucione la superfície que està sent atacada segons els models d'atacat sec per, d'aquesta forma, habilitar la simulació de processo
Montoliu Álvaro, C. (2015). Study, Modelling and Implementation of the Level Set Method Used in Micromachining Processes [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/58609
TESIS

A study has been conducted into the causes of cycle by cycle variations in combustion within a spark ignition engine, the best measured engine parameter to use for its characterization, and the effects that: ignition timing, equivalence ratio, fuel type, throttle position and knock, have upon it. A Ricardo E6 single cylinder variable compression ratio research engine was instrumented to allow measurement of: cylinder pressure, temperatures, speed, load, fuel flow and air flow. The engine was also fitted with an optical slice that allowed optical access to the combustion chamber and enabled measurement of the early flame speed (up to 10 mm from spark plug gap) using a laser schileren system. Cylinder pressure data were collected on a dedicated HP1000 computer for every degree of crank angle rotation for up to 300 successive cycles. A phenomenological model was developed for turbulent combustion that split the combustion process into three phases: early laminar burn, turbulent combustion, and final burn. The model allowed the study of the physical phenomena occurring within the combustion chamber and enabled insights to be gained into their effects on combustion and cyclic variations. The study showed: The variation in mixture strength has a far greater effect on the average and Coefficient of Variation (COV) values of all the combustion performance parameters, than does changing the fuel type. Cycle by cycle variations in combustion are best characterized by COV of imep. The onset of knock has no discernible effect on the COVs of the measured parameters. The part throttle results show higher COVs than at Wide Open Throttle (WOT) due to slower burn, supporting the theory that faster initial flame speeds reduce cyclic variations. The combustion model was used to support the hypothesis that cycle by cycle variations are caused by movement of the flame kernel by turbulence within the combustion chamber.

Most of the water fed into a paper machine is removedmechanically in the forming and press sections. One of thefactor which has an important influence on mechanicaldewatering, i.e. in both forming and pressing, is thestress-strain behaviour of the fibre network.

The focus of this thesis is on the development of improvedmathematical descriptions of the stress-strain behaviourexhibited by fibre networks in the forming and press sections.The first part of the thesis presents a physically based modelof the forming and densification of fibre mats in twin-wireformers. The model can calculate the ecect of the applicationof a varied load through the forming section. It was developedfrom mass and momentum balances of the fibre and liquid phases,the fibre mat stress-porosity relation and an expression forthe permeability as a function of the porosity. The fibre-matstress-porosity relation used is rate-independent and presentshysteresis. Simulations have been conducted to study theeffects of roll pressure, blade pulses, wire tension andbeating. The effect of sequential blade pressure pulses afterthe forming roll on the dewatering and the concentrationgradients could be characterised. The simulations alsoexhibited rewetting by expansion when the fibre mats left theforming roll. Increasing wire tension resulted in increaseddewatering, but the rate of increase diminished rapidly withincreasing tension. The simulation results also indicated thatbeating has a large influence on dewatering.

The second part of the thesis presents two models of therate-dependent stress-strain behaviour of the fibre networkthat is observed in wet pressing. The first model was based onthe approach pioneered by Perzyna (1966) for strain-ratedependent plasticity and was quite satisfactory for calculatingthe stress-strain behaviour of the fibre network in singlepress nips. It was successfully applied for studyingdensification and dewatering in both normal wet pressing andhigh temperature wet pressing. However, the first model onlyincludes rate dependence in the compression phase of thecompressionexpansion cycle; the expansion phase is treated asbeing rate independent

The second model of the stress-strain behaviour of the fibrenetwork treats both compression and expansion as being ratedependent, according to experimental observations. It is basedon the idea that the wet fibre web may be conceived as alayered network of restricted swelling gels. A swollen fibre isa restricted gel, the inner swelling pressure in a swollenfibre wall being balanced by the stresses in the fibre wallstructure. The observed rate dependence of wet webs in bothcompression and expansion phases was attributed to the flow ofwater out of and into the fibre walls. The second model gavepredictions that are in good agreement with results fromuniaxial experiments using pressure pulses of arbitrary shapefor both a single pulse and a sequence of pulses. It maytherefore be used as a general model for the rheologicalbehaviour of the wet fibre network in wet pressing, providedthe model parameters are estimated from experimental data withsmall experimental error.

KEYWORDS:Paper, modelling, dewatering, forming, wetpressing, fibre network stress, rheology, hysteresis,intra-fibre water, compressibility, structural stress,stress-strain, restricted gels, swelling.

Doctor of Philosophy
The main contribution of this work is to answer several important questions relating to natural draft wet cooling tower (NDWCT) modelling, design and optimisation. Specifically, the work aims to conduct a detailed analysis of the heat and mass transfer processes in a NDWCT, to determine how significant the radial non-uniformity of heat and mass transfer across a NDWCT is, what the underlying causes of the non-uniformity are and how these influence tower performance. Secondly, the work aims to determine what are the consequences of this non-uniformity for the traditional one dimensional design methods, which neglect any two-dimensional air flow or heat transfer effects. Finally, in the context of radial non-uniformity of heat and mass transfer, this work aims to determine the optimal arrangement of fill depth and water distribution across a NDWCT and to quantify the improvement in tower performance using this non-uniform distribution. To this end, an axisymmetric numerical model of a NDWCT has been developed. A study was conducted testing the influence of key design and operating parameters. The results show that in most cases the air flow is quite uniform across the tower due to the significant flow restriction through the fill and spray zone regions. There can be considerable radial non-uniformity of heat transfer and water outlet temperature in spite of this. This is largely due to the cooling load in the rain zone and the radial air flow there. High radial non-uniformity of heat transfer can be expected when the cooling load in the rain zone is high. Such a situation can arise with small droplet sizes, low fill depths, high water flow rates. The results show that the effect of tower inlet height on radial non-uniformity is surprisingly very small. Of the parameters considered the water mass flow rate and droplet size and droplet distribution in the rain zone have the most influence on radial noniv uniformity of heat transfer. The predictions of the axisymmetric numerical model have been compared with a one dimensional NDWCT model. The difference between the predictions of tower cooling range is very low, generally around 1-2%. This extraordinarily close comparison supports the assumptions of one dimensional flow and bulk averaged heat transfer implicit in these models. Under the range of parameters tested here the difference between the CFD models predictions and those of the one dimensional models remained fairly constant suggesting that there is no particular area where the flow/heat transfer becomes so skewed or non-uniform that the one dimensional model predictions begin to fail. An extended one dimensional model, with semi-two dimensional capability, has been developed for use with an evolutionary optimisation algorithm. The two dimensional characteristics are represented through a radial profile of the air enthalpy at the fill inlet which has been derived from the CFD results. The resulting optimal shape redistributes the fill volume from the tower centre to the outer regions near the tower inlet. The water flow rate is also increased here as expected, to balance the cooling load across the tower, making use of the cooler air near the inlet. The improvement has been shown to be very small however. The work demonstrates that, contrary to common belief, the potential improvement from multi-dimensional optimisation is actually quite small.

Thesis (Ph. D.)--University of Sydney, 2007.
Title from title screen (viewed February 12, 2009). Includes graphs and tables. Submitted in fulfilment of the requirements for the degree of Doctor of Philosophy to the School of Aerospace, Mechanical and Mechatronic Engineering. Includes bibliographical references. Also available in print form.

The main contribution of this work is to answer several important questions relating to natural draft wet cooling tower (NDWCT) modelling, design and optimisation. Specifically, the work aims to conduct a detailed analysis of the heat and mass transfer processes in a NDWCT, to determine how significant the radial non-uniformity of heat and mass transfer across a NDWCT is, what the underlying causes of the non-uniformity are and how these influence tower performance. Secondly, the work aims to determine what are the consequences of this non-uniformity for the traditional one dimensional design methods, which neglect any two-dimensional air flow or heat transfer effects. Finally, in the context of radial non-uniformity of heat and mass transfer, this work aims to determine the optimal arrangement of fill depth and water distribution across a NDWCT and to quantify the improvement in tower performance using this non-uniform distribution. To this end, an axisymmetric numerical model of a NDWCT has been developed. A study was conducted testing the influence of key design and operating parameters. The results show that in most cases the air flow is quite uniform across the tower due to the significant flow restriction through the fill and spray zone regions. There can be considerable radial non-uniformity of heat transfer and water outlet temperature in spite of this. This is largely due to the cooling load in the rain zone and the radial air flow there. High radial non-uniformity of heat transfer can be expected when the cooling load in the rain zone is high. Such a situation can arise with small droplet sizes, low fill depths, high water flow rates. The results show that the effect of tower inlet height on radial non-uniformity is surprisingly very small. Of the parameters considered the water mass flow rate and droplet size and droplet distribution in the rain zone have the most influence on radial noniv uniformity of heat transfer. The predictions of the axisymmetric numerical model have been compared with a one dimensional NDWCT model. The difference between the predictions of tower cooling range is very low, generally around 1-2%. This extraordinarily close comparison supports the assumptions of one dimensional flow and bulk averaged heat transfer implicit in these models. Under the range of parameters tested here the difference between the CFD models predictions and those of the one dimensional models remained fairly constant suggesting that there is no particular area where the flow/heat transfer becomes so skewed or non-uniform that the one dimensional model predictions begin to fail. An extended one dimensional model, with semi-two dimensional capability, has been developed for use with an evolutionary optimisation algorithm. The two dimensional characteristics are represented through a radial profile of the air enthalpy at the fill inlet which has been derived from the CFD results. The resulting optimal shape redistributes the fill volume from the tower centre to the outer regions near the tower inlet. The water flow rate is also increased here as expected, to balance the cooling load across the tower, making use of the cooler air near the inlet. The improvement has been shown to be very small however. The work demonstrates that, contrary to common belief, the potential improvement from multi-dimensional optimisation is actually quite small.

WCDMA is an interference limited multiple access technique .It is widely used in the 3rd generation mobile networks like UMTS. When a new call arrives in the system to get admission, it checks whether the call is admitted or not based on some parameters like signal to interference ratio (SIR), transmission power of the Node B and the air interface load .If the call is accepted this will increase some interference to the ongoing calls. This new interference would degrade the ongoing calls and this will also add some extra load which may also lead to the exceeding capacity. So that the system has to decide this admission policy in a systematic way that all the users should maintain their communication with guaranteed quality of service. This decision making algorithm belongs to the radio resource management functionalities of the Radio Network Controller (RNC) in a WCDMA based UMTS network. This thesis paper focuses on the mathematical representation of the call admission control in an interference based environment. There is also a comparative study with different methods.

This PhD project comprised the development of a state-of-the-art multi-physic modelling framework for the characterisation of wet shaving interactions in a coupled Eulerian-Lagrangian finite element environment. The experimental characterisation of shave prep fluids required the development of sound methodologies to capture the viscous and adhesive properties of the shave prep fluids. The process required step by step modelling approach for the verification of the fluid viscous response and the analysis of the contact interactions and its implications in the behavioural response and simulation run-time performance. The final product resulted in a modular finite element framework, for its application in the analysis of wet-shaving lubrication phenomena, for the assessment of new products designs. Going beyond the original purposes of the project, an state-of-the-art anatomical skin model was developed with the use of image-based modelling techniques, capturing the skin microstructure with high geometrical fidelity. This model was applied for the investigation of the role of the skin microstructure on the macroscopic response to deformation and contact interactions, revealing a complex non-linear interplay between the geometry and mechanical characteristics of the skin layers. In extension/compression, the skin topography reassembles a ‘hinge-like’ mechanism for dissipation of strains in the epidermis, where highest levels of strains were observed at the skin furrows, and lowest at the crests. In contact interactions simulations, the topographic features of the skin appear to dominate the global friction response. The study revealed that the stratum corneum plays a crucial role in the peripheral deformation and propagation of stress, further away from the area of contact. The high concentration of shear stresses derived from the multi-asperity contact summed to the high concentration of strains in the skin furrows, highlighted the importance of the skin microstructure on the mechano-biological implications of shear stress and strain distribution within the skin layers.

In dieser Arbeit wird die Physik der Stimm- und Lautbildung von Vögeln untersucht, wobei zwei verschiedene Zwei-Massen-Modelle des menschlichen Kehlkopfes, sowie die Theorie der Nichtlinearen Dynamik verwendet werden. Die Zwei-Massen-Modelle des menschlichen Kehlkopfes (ein angepasstes Zwei-Massen-Modell und ein Trapez-Modell) wurden dazu an die Größe des Stimmorgans der Vögel (Syrinx) angepasst, um die Druckentstehung, die Steuerung der harmonischen Obertöne und "Register" studieren zu können, die vom Syrinx ohne Kopplung an Quelle und Vokaltrakt erzeugt werden. Unsere Simulationen sind ein erster Schritt in Richtung eines realistischeren Modells der Syrinx. Eine detaillierte Bifurkationsanalyse des Trapezmodells bestätigt, dass die Geometrie und die Ruhelage der Syrinx das harmonische Spektrum drastisch beeinflussen können, und sie gibt Hinweise über mögliche Erzeugungsmechanismen der reichhaltigen harmonischen Spektren während der Einatmung. Des weiteren wird die Bifurkationsanalyse benutzt, um den Beitrag der Muskeln der Syrinx quantitativ zu beschreiben. Dies geschieht in dem Modell mit Hilfe von zeitabhängigen Parametern, welche die Ruhelage der Labia und die Frequenzmodulation steuern.
In this thesis, the physics of birds phonation is discussed using a two-mass models approach and the theory of nonlinear dynamics. Two-mass models of the human larynx (rescaled two-mass model and trapezoidal model) have been adapted to the dimension of the avian syrinx to study pressure onset, control of harmonic overtones and "registers" of the sound radiated by the birds vocal organ (syrinx) in the absence of source-tract coupling. Our simulations are a first step towards more realistic modelling of the syrinx. A detailed bifurcation analysis of the trapezoidal model confirms that the geometry and the rest position of the syrinx can influence the harmonic spectra drastically, suggests possible mechanisms involved in the production of rich-harmonic spectra during inspiration and is used to describe quantitatively the contribution of syringeal muscles. The latter is implemented in the model by means of driving time-dependent parameters controlling the labia rest position and frequency modulation.

Flue gas scrubbing devices are used to clean exhaust gas from industrial plants and play an important role in the drive to conserve the planet. Centrifugal wet scrubbers are one such type of widely used scrubbing device. Unfortunately, their design, which is often based on rules of thumb, can contribute to operational problems that are costly to rectify. This project employed experiments and computational fluid dynamics to develop an improved understanding of the flow processes inside a centrifugal wet scrubber and proposed design modifications for improved performance.

La sindrome di Cornelia de Lange (CdLS) è una rara malattia genetica che colpisce ogni distretto del corpo, compreso il sistema nervoso centrale, causando un ritardo variabile del neurosviluppo. Le malformazioni causate da questa sindrome derivano da mutazioni a carico di geni del complesso delle coesine (complesso proteico coinvolto nel controllo della coesione dei cromatidi fratelli) e da un’alterata regolazione di pathway molecolari durante lo sviluppo, tra cui il pathway canonico di WNT, che risulta essere meno attivo. Al fine di osservare un miglioramento del fenotipo, ho indagato i potenziali effetti positivi dell’utilizzo di cloruro di litio come attivatore del pathway canonico di WNT, avvalendomi di due modelli differenti: cellule staminali pluripotenti indotte di origine umana (hiPSCs) e Drosophila melanogaster. Per simulare un’aploinsufficienza delle coesine, le hiPSCs differenziate in precursori neurali (hNPC), sono state trattate con uno specifico inibitore della proteina HDAC8, nota per essere implicata nella patogenesi della CdLS. Dopo essere state trattate con cloruro di litio, queste cellule hanno mostrato una migliorata capacità di differenziamento attraverso il lineage neuronale. Esemplari adulti di Drosophila melanogaster portatori di un allele loss-of-function a carico di un gene delle coesine, dopo essere stati allevati su cibo supplementato con litio come attivatore del pathway canonico di WNT, hanno mostrato un recupero statisticamente significativo della morfologia dei mushroom bodies, una struttura del sistema nervoso centrale importante per l'apprendimento olfattivo e la memoria. I risultati derivanti da questo progetto di dottorato supportano ulteriormente l’ipotesi che una perturbazione del pathway canonico di WNT, causato da mutazioni a carico delle coesine, giochi un ruolo centrale nell’eziopatogenesi della CdLS. Questa teoria è corroborata dal recupero consistente del fenotipo nei modelli sperimentali grazie alla somministrazione di cloruro di litio e apre la strada a possibili strategie terapeutiche, fortemente necessarie per la CdLS.
Cornelia de Lange Syndrome (CdLS) is a rare genetic disorder affecting almost any organ including the central nervous system, inducing a variable neurodevelopmental delay. CdLS malformations derive from mutations in cohesin complex genes (protein complex involved in the cohesion control of sister chromatids) and deregulation of developmental pathways, inclusive of the canonical WNT pathway, which results less active. In order to ameliorate the phenotype, I have explored possible ameliorative effects of the canonical WNT pathway chemical activation using lithium in two different models: human induced pluripotent stem cells (hiPSCs) and Drosophila melanogaster. For mimicking cohesins haploinsufficiency, hiPSCs differentiated in neural precursor cells (hNPC) were treated with a specific HDAC8 inhibitor, protein known to be implicated in CdLS pathogenesis. Upon treatment with lithium chloride, cells showed improved differentiation capabilities through the neuronal lineage. Drosophila melanogaster adults carrying a loss-of-function allele in a cohesins gene and reared on food supplemented with lithium as activator of canonical WNT pathway, showed a significant rescue in mushroom bodies morphology, a central nervous system structure important for the olfactory learning and memory. This PhD project’s results further support the hypothesis that disruption in canonical WNT pathway, caused by cohesins mutations, plays a central role in CdLS etiopathogenesis. This theory is corroborated by the consistent phenotype rescue by lithium administration in experimental models, paving the way for new possible and urgently needed therapeutic strategies.

A general modelling approach is described for the numerical simulation of localized corrosion phenomena. The model is demonstrated using several simple cases and compared both to analytical solutions and experimental measurements. The model is intended to operate at the microscopic-mesoscopic length scales and involves two- or three-dimensional field calculations performed in a finite difference computational framework. Limitations and possible extensions to the algorithm are discussed. Experimental work has been reported that demonstrates the effects of microstructural variations within Zn-Al Galfan type coatings on the corrosion behaviour of cut-edge material, i.e. those cases where both the underlying steel and the organic coated Galfan layer are simultaneously exposed to a corrosive environment. An attempt to model the localized corrosion effects in electroplated zinc and hot-dip Galfan coatings has been made. The model combines both diffusive and electrochemical phenomena and describes corrosion effects on micro scale coating layers in NaCl electrolyte. The model predicts the 3D form of electrical potential, localized current densities and concentrations and also the time-dependent degradation of the micro scale coating layer. Results of the prototype model are quantitatively compared with measured current densities obtained from Scanning Vibrating Electrode Technique (SVET) studies. Simulations have been performed to predict the microstructural influence on the corrosion of Galfan coatings cooled at different rates. The model is in good agreement with experimental findings with respect to the cut-edge behaviour of these coatings, although contradicts those SVET measurements made in respect of the surface corrosion performance.

En skyldighet att samverka kring barn och unga som riskerar att fara illa lagstadgades 2003. Samverkan underlättar för tidiga insatser som ofta är mer omfattande och mindre kostsamma. Idag är samverkan fortfarande högaktuellt och denna forskning ämnar att utifrån SOU 2001:72 som låg till grund för lagförändringen, studera vilket problem som samverkan egentligen är lösningen på och vad denna problemrepresentation leder till. Det görs med hjälp av Carol Bacchis (2009) diskursanalytiska WPR-modell. Slutsatsen av studien är att problemet som samverkan kring barn och unga ska lösa är representerat som en komplexitet. Att problemet är så brett utformat leder till att politiken kring samverkan blir ett sätt att avsäga sig ansvar och därmed liknar styrningen av samverkan kring barn och unga mer en norm som den svenska staten vill uppnå.

The accumulation of sediments in combined sewer systems may give rise to significant quality problems, which sometimes are overlooked. Solids deposited in the network may lead to more frequent overflows into natural waters, where are often discharged without treatment during the beginning of storms events. When organic solids, released from in-sewer deposits, reach natural receiving waters, may produce serious impacts. Waters environments are degraded due mainly to the high oxygen biochemical demand, the ammonia contribution and other pollutants. This study focuses on the release of highly-organic sediments having being accumulated inside a combined sewer network. After prolonged dry-periods, typical in Mediterranean region, sediments are re-suspended and conveyed when storm runoff appears. The aim of the research is to develop a methodology able to predict their potential erosion and subsequent mobilization through the network. To achieve that goal, it is needed to improve the knowledge on the processes occurring during long dry-periods, and analyse the variables involved that might affect the erodibility of the deposits. To achieve reliable results in water quality modelling, it is essential the availability of consistent and detailed field data. Highly-organic non-homogeneous sediment samples collected from a combined sewer system were used for the laboratory assessment of the characteristics and the behaviour regarding erosion. Varying strength of the bed with depth allow for a more appropriate representation of the movement of solids in sewerage by introducing in the model a more realistic behaviour. The results obtained have shown that the prediction of organic sediment mobilization and transport is complex but possible to accomplish. However, more effort is needed to ensure the transferability of the results for a more general application of the predictive model obtained. This research has mainly contributed in a more detailed knowledge of the organic sediment bed structure regarding strength to erosion. The acquired knowledge can be applied for improvements in the prediction of pollutant loads that can reach watercourses, pursuing the receiving waters protection as a final goal.
Los depósitos de sedimentos en sistemas unitarios de alcantarillado pueden dar lugar a importantes problemas de calidad de aguas, muchas veces ignorados. La acumulación de sedimentos en estos sistemas puede generar el aumento en la frecuencia de vertidos a medios naturales receptores durante una tormenta. La presencia de sólidos de origen orgánico en los vertidos de aguas sin tratar puede producir impactos perjudiciales en las aguas receptoras. Los medioambientes acuáticos son afectados principalmente por las altas demandas de oxígeno y las contribuciones de nitrógeno originados en los sedimentos orgánicos. Este estudio se centra en los procesos de re-suspensión de sedimentos altamente orgánicos que se han acumulado en las redes de alcantarillado unitario. Luego de largos períodos secos típicos en la región Mediterránea, los depósitos de sedimentos son re-movilizados y transportados a través del sistema por la escorrentía producida por una tormenta. El objetivo de la investigación es desarrollar una metodología que sea capaz de predecir el potencial de erosión y posterior movilización de los sedimentos orgánicos a través del sistema. Para ello, es necesario mejorar el conocimiento que se tiene sobre los procesos que ocurren durante largos períodos sin lluvias y analizar las variables involucradas que puedan influir en la erosión de los depósitos. Contar con la disponibilidad de datos de campo confiables es esencial en el logro de resultados válido en un modelo de calidad de aguas. Muestras de sedimento no homogéneo y altamente orgánico se recogieron en un sistema de alcantarillado unitario. A través de ensayos en laboratorio, estos sedimentos se utilizaron para la evaluación de sus características y comportamiento vinculado a la erosión. La introducción en el modelo de una ley de tensión crítica de arrastre más realista permite una mejor representación de la movilización de los sedimentos. Los resultados obtenidos muestran que la predicción del transporte de sedimentos orgánicos de alcantarillado es posible de realizar aunque es un tema muy complejo. Mayores esfuerzos son aún necesarios para lograr la transferencia directa de los resultados para una aplicación más generalizada del modelo predictivo obtenido. Una de las principales contribuciones de esta investigación está vinculada al logro de un conocimiento más detallado de la estructura de los depósitos de sedimento orgánico en relación a su resistencia a la erosión. El conocimiento adquirido podría ser aplicado en la mejora en las predicciones de cargas contaminantes que llegan a cursos de agua naturales durante vertidos. Todo ello, siguiendo como objetivo final, la protección de las aguas naturales receptoras.

Enhancing mineral processing techniques is a permanent challenge in the mineral and metal industry. Indeed to satisfy the requirements on the final product (metal) set by the consuming market, control is often applied on the mineral processing whose product, the ore concentrate, constitutes the input material of the extractive metallurgy. Therefore much attention is paid on mineral processing units and especially on concentration plants. As the ore size reduction procedure is the critical step of a concentrator, it turns out that controlling a grinding circuit is crucial since this stage accounts for almost 50 % of the total expenditure of the concentrator plant. Moreover, the product particle size from grinding stage influences the recovery rate of the valuable minerals as well as the volume of tailing discharge in the subsequent process.

The present thesis focuses on an industrial application, namely the Kolwezi concentrator (KZC) double closed-loop wet grinding circuit. As any industrial wet grinding process, this process offers complex and challenging control problems due to its configuration and to the requirements on the product characteristics. In particular, we are interested in the modelling of the process and in proposing a control strategy to maximize the product flow rate while meeting requirements on the product fineness and density.

A mathematical model of each component of the circuit is derived. Globally, the KZC grinding process is described by a dynamic nonlinear distributed parameter model. Within this model, we propose a mathematical description to exhibit the increase of the breakage efficiency in wet operating condition. In addition, a relationship is proposed to link the convection velocity to the feed ore rate for material transport within the mills.

All the individual models are identified from measurements taken under normal process operation or from data obtained through new specific experiments, notably using the G41 foaming as a tracer to determine material transport dynamics within the mills. This technique provides satisfactory results compared to previous studies.

Based on the modelling and the circuit configuration, both steady-state and dynamic simulators are developed. The simulation results are found to be in agreement with the experimental data. These simulation tools should allow operator training and they are used to analyse the system and to design the suitable control strategy.

As the KZC wet grinding process is a Multi-Input Multi-Output (MIMO) system, we propose a decentralized control scheme for its simplicity of implementation. To overcome all the control issues, a Double Internal Model Control (DIMC) scheme is proposed. This strategy is a feedforward-feedback structure based on the use of both a modified Disturbance Observer (DOB) and a Proportional-Integral Smith-Predictor (PI-SP). A duality between the DOB and PI-SP is demonstrated in design method. The latter is exploited to significantly simplify the design procedure. The designed decentralized controllers are validated in simulation on the process linearized model. A progressive implementation of the control strategy is proposed in the context of the KZC grinding circuit where instrumentation might not be obvious to acquire./

Améliorer les techniques de traitement de minerais est un défi permanent dans l'industrie des minéraux et des métaux. En effet, pour satisfaire aux exigences du produit fini (métal ) fixées par le marché de consommation, la commande automatique est souvent appliquée à l'usine du traitement de minerais dont le produit, le concentré, constitue la matière première de la métallurgie extractive. Une attention particulière est donc dévolue aux unités de traitement de minerais et en particulier aux concentrateurs. Comme le processus de réduction des dimensions granulométriques du minerai est l'étape critique d'un concentrateur, il s'avère que la commande d'un circuit de broyage est cruciale, car ce stade représente près de 50 % des dépenses totales de l' usine de concentration. De plus, la dimension granulométrique du produit de l'étape de broyage influe sur le taux de récupération des minéraux utiles ainsi que sur le volume des rejets du processus ultérieur.

La présente thèse porte sur une application industrielle, à savoir le concentrateur de Kolwezi (KZC qui est un circuit de broyage humide à double boucle fermée. Comme tout processus industriel de broyage humide, ce procédé présente une problématique de commande complexe et difficile en raison de sa configuration et des exigences relatives aux caractéristiques du produit. En particulier, nous nous intéressons à la modélisation de ce procédé et à proposer une stratégie adéquate de commande dans le but de maximiser le débit de production tout en respectant les exigences quant à la finesse et à la densité de la pulpe produite.

Un modèle mathématique de chaque composant du circuit a été déterminé. Globalement, le processus de broyage de KZC est décrit par un modèle dynamique non linéaire à paramètres distribués. Dans ce modèle, une description mathématique de l'augmentation de l'efficacité du broyage en milieu humide est proposée. En outre, nous avons proposé une relation liant la vitesse de convection au débit d'alimentation de minerais dans le modèle du transport de la matière à l'intérieur des broyeurs.

Tous les modèles mathématiques ont été identifiés à partir de mesures prises sur le procédé en fonctionnement d'équilibre stable ou à partir des données obtenues grâce à des nouvelles expériences spécifiques, notamment en utilisant le moussant G41 comme traceur pour déterminer la dynamique de transport de la matière dans les broyeurs. Cette technique a produit des résultats cohérents par rapport aux études antérieurs réalisées au moyen du traceur colorant ou radioactif.

Les simulateurs statique et dynamique ont été développés sur la base de la modélisation mathématique et de la configuration du circuit. Les résultats des simulations sont en accord avec les données expérimentales. Ces outils de simulation devraient permettre la formation des opérateurs et ont été utilisés pour analyser le système et concevoir la stratégie de commande la plus appropriée.

Comme le processus de broyage humide de KZC est un système à plusieurs grandeurs d'entrée et plusieurs grandeurs de sortie, nous avons proposé une structure de commande décentralisée en raison de sa simplicité de mise en œuvre .Afin de surmonter tous les problèmes de commande, un schéma de commande à double modèle interne (CDMI) est proposée. Cette stratégie est une structure à anticipation - rétroaction basée sur l'utilisation d'un observateur de perturbations (OBP) et d'un Prédicteur de Smith doté d'un régulateur Proportionnel-Intégral (PS-PI). Une dualité entre l'OBP et le PS-PI est démontrée dans la méthode de conception. Cette propriété est exploitée pour simplifier considérablement la procédure de conception. Les régulateurs décentralisés ainsi conçus sont validés en simulation sur le modèle linéarisé du procédé. Une mise en œuvre progressive de la stratégie de commande est proposée dans le contexte du circuit de broyage de KZC où l'instrumentation peut ne pas être évidente à acquérir.

Doctorat en Sciences de l'ingénieur
info:eu-repo/semantics/nonPublished

Dans ce mémoire, nous présentons l’utilisation de techniques de model-checking pour l’inférence de paramètres de réseaux de régulation génétique (GRN) et l’analyse formelle d’une voie de signalisation. Le coeur du mémoire est décrit dans la première partie, dans laquelle nous proposons une approche pour inférer les paramètres biologiques régissant les dynamiques de modèles discrets de GRN. Les GRN sont encodés sous la forme d’un méta-modèle, appelé GRN paramétré, de telle façon qu’une instance de paramètres définit un modèle discret du GRN initial. Sous réserve que les propriétés biologiques d’intérêt s’expriment sous la forme de formules LTL, les techniques de model-checking LTL sont combinées à celles d’exécution symbolique et de résolution de contraintes afin de sélectionner les modèles satisfaisant ces propriétés. L’enjeu est de contourner l’explosion combinatoire en terme de taille et de nombre de modèles discrets. Nous avons implémenté notre méthode en Java, dans un outil appelé SPuTNIk. La seconde partie décrit une collaboration avec des neuropédiatres, qui ont pour objectif de comprendre l’apparition du phénotype protecteur ou toxique des microglies (un type de macrophage du cerveau) chez les prématurés. Cette partie exploite un autre versant du model-checking, celui du modelchecking statistique, afin d’étudier un type de réseau biologique particulier : la voie de signalisation Wnt/β-caténine, qui permet la transmission d’un signal de l’extérieur à l’intérieur des cellules via une cascade de réactions biochimiques. Nous présentons ici l’apport du model-checker stochastique COSMOS, utilisant la logique stochastique à automate hybride (HASL), un formalisme très expressif nous permettant une analyse formelle sophistiquée des dynamiques de la voie Wnt/β-caténine, modélisée sous la forme d’un processus stochastique à événements discrets
In this thesis, we present the use of model checking techniques for inference of parameters of Gene Regulatory Networks (GRNs) and formal analysis of a signalling pathway. In the first and main part, we provide an approach to infer biological parameters governing the dynamics of discrete models of GRNs. GRNs are encoded in the form of a meta-model, called Parametric GRN, such that a parameter instance defines a discrete model of the original GRN. Provided that targeted biological properties are expressed in the form of LTL formulas, LTL model-checking techniques are combined with symbolic execution and constraint solving techniques to select discrete models satisfying these properties. The challenge is to prevent combinatorial explosion in terms of size and number of discrete models. Our method is implemented in Java, in a tool called SPuTNIk. The second part describes a work performed in collaboration with child neurologists, who aim to understand the occurrence of toxic or protective phenotype of microglia (a type of macrophage in the brain) in the case of preemies. We use an other type of model-checking, the statistical model-checking, to study a particular type of biological network: the Wnt/β- catenin pathway that transmits an external signal into the cells via a cascade of biochemical reactions. Here we present the benefit of the stochastic model checker COSMOS, using the Hybrid Automata Stochastic Logic (HASL), that is an very expressive formalism allowing a sophisticated formal analysis of the dynamics of the Wnt/β-catenin pathway, modelled as a discrete event stochastic process

Ce travail est axé sur le comportement de l'oxydation sélective d'un alliage binaire Fe-Mn (1% en poids) lors d'un recuit continu dans les conditions de galvanisation industrielle, pour comprendre la diffusion du manganèse et de l'oxygène et le mécanisme de formation d'oxyde à la surface.Un modèle analytique a d'abord été développé pour décrire les réactions de surface et la thermodynamique impliquant la vapeur d'eau et la diffusion de O et Mn dans l'alliage, ainsi que la germination et la croissance hétérogènes des oxydes de MnO à la surface. Des équations théoriques ont été établies et analysées pour calculer le rayon critique et le taux de germination des embryons de MnO ainsi que la taille et les taux de couverture de surface des oxydes de MnO en fonction du recuit.Des expériences de recuit ont ensuite été menées et les surfaces recuites ont été analysées par: des cartographies EBSD pour déterminer l'orientation du grain de ferrite; Analyse EDS pour déterminer la nature chimique; SEM et AFM pour étudier les caractéristiques géométriques des oxydes; TEM/STEM sur des lames extraites des échantillons massifs pour observer la forme latérale des oxydes; XPS pour étudier la nature des oxydes et les profils de concentration de Mn en fonction de la profondeur et des modèles de diffraction pour déterminer la relation d'orientation du MnO et du substrat de ferrite.Le logiciel Wulffmaker a été utilisé pour simuler le cristal d'équilibre de MnO. Les observations par SEM, AFM et TEM/STEM permettent de réaliser les facettes composant les cristaux de MnO
This work is focused on the selective oxidation behavior of Fe-Mn (1 wt.%) binary alloy during continuous annealing under the industrial galvanizing conditions, to understand the diffusion of manganese and oxygen and the mechanism oxide formation on the surface.An analytical model was first developed to describe the surface reactions and thermodynamics involving water vapor and diffusion of O and Mn in the alloy, and the heterogeneous nucleation and growth of MnO oxides on the surface. Theoretical equations were established and sovled to calculate the critical radius and nucleation rate of MnO embryos and the size and surface coverage fractions of MnO oxides as a function of annealing.Annealing experiments were then conducted and the annealed surfaces were analyzed by: EBSD maps to determine the ferrite grain orientation; EDS analysis to determine the chemical nature; SEM and AFM to study the geometrical characteristics of oxides; TEM/STEM on the crosee-sections to observe the lateral shape of oxides; XPS to study the oxide nature and Mn concentration profiles as a function of depth and diffraction patterns to determine the orientation relationship of MnO and ferrite substrate.Wulffmaker software was used to simulate the equilibrium crystal of MnO. Observations by SEM, AFM and TEM/STEM make it possible to realize the facets composing MnO crystals

Des catalyseurs à base de métaux nobles (Pt, Pd, Ir, Ru et Rh) supportés (TiO2, ZrO2, CeO2 et CeZrO2) ont dans un premier temps été préparés. L'Oxydation en Voie Humide Catalytique de l'ammoniaque en présence de ces catalyseurs a alors été réalisée. Le platine est le métal le plus actif. L'iridium et le palladium sont les plus sélectifs en diazote. Le catalyseur Pt/TiO2 est le plus performant car il combine une très forte activité et une sélectivité en diazote peu éloignée de celles de l'iridium et du palladium. Une étude approfondie sur ce catalyseur (méthode de préparation, nature du précurseur métallique,…) a montré que seule la basicité de surface du catalyseur a un impact négatif sur la sélectivité en diazote. Les autres paramètres étudiés sont non significatifs. Le travail réalisé sur les conditions opératoires (PO2, T, mcatalyseur, pH et concentration d'ammoniaque) toujours en présence de Pt/TiO2 ont montré qu'il est nécessaire de contrôler la fonction oxydante et notamment le rapport nO2/nNH3. En effet, si la valeur de ce rapport est trop élevée (nO2/nNH3 >> 0,75) alors la sélectivité en diazote se dégrade fortement. Pour terminer, des catalyseurs bimétalliques PtIr/TiO2 et PtPd/TiO2 ont été préparés afin d'allier l'activité du platine à la sélectivité en diazote du palladium ou iridium. L'utilisation de ces catalyseurs s'avère peu intéressante car leur comportement est similaire à celui des mélanges mécaniques. De plus, la sélectivité en diazote est également dégradée pour nO2/nNH3 >> 0,75 avec ces catalyseurs
TiO2, ZrO2, CeO2 and CeZrO2 supported noble metal catalysts (Pt, Pd, Ir, Ru and Rh) have been in a first time prepared to be used in the Catalytic Wet Air Oxidation of ammonia. The first results show that platinum is the most active metal. Palladium and iridium are the most selective toward nitrogen. Pt/TiO2 is the most interesting catalyst because it combines a very strong activity and a selectivity toward nitrogen close to iridium and palladium. An in-depth study on this catalyst (preparation method, nature of the metallic precursor…) shows that the single parameter which has a negative impact on the selectivity toward nitrogen is the basicity of the catalyst surface. The work realized on the operating conditions (PO2, catalyst weight, pH and ammonia concentration) in the presence of Pt/TiO2 shows the necessity to control the oxidizing function and particularly the nO2/nNH3 ratio. Indeed, if the value of this ratio is too high (nO2/nNH3 >> 0,75) then the selectivity toward nitrogen degrades strongly. To end, PtIr/TiO2 and PtPd/TiO2 bimetallic catalysts have been prepared to combine the activity of the platinum and the selectivity of palladium/iridium to nitrogen. These catalysts are not interesting because their behaviour is similar to the mechanical mixtures. Furthermore, the selectivity toward nitrogen is also degraded for nO2/nNH3 >> 0,75 with these catalysts

Von Schmetterlingen und Bienen bis Kolibris und Fledermäusen hat sich eine große Vielfalt von Tieren auf Blumennektar als Nahrung spezialisiert. Die Nektareigenschaften der vielen Pflanzenarten scheinen den Bedarf des Hauptbestäubers widerzuspiegeln, z.B. produzieren die von größeren Tieren bestäubten Pflanzen in der Regel auch größere Mengen an Nektar. Diese Übereinstimmung deutet darauf hin, dass Nektarmerkmale in Erwiderung auf die Auswahlkriterien der Bestäuber evolviert sind. Die evolutionäre und ökologische Interaktion zwischen Pflanze und ihrem Bestäuber hängt in entscheidender Weise von dessen Fähigkeit ab Unterschiede bei den Pflanzenmerkmalen wahrzunehmen, und von den Mechanismen der Entscheidungsfindung. In der vorliegenden Arbeit steht die Ökologie kognitiver Funktionen im Vordergrund, um die Rolle der Informationsverarbeitung bei Bestäubern für die Evolution von Blütennektarmerkmalen zu untersuchen. In den ersten drei Kapiteln konzentriere ich mich auf die Fähigkeiten verschiedener Bestäuber zwischen Zuckerlösungen mit unterschiedlichen Konzentrationen zu diskriminieren. Im vierten Kapitel werden individuelle Unterschiede auch auf der Ebene des Nahrungssuchverhaltens genauer analysiert und mit der Effizienz des Nahrungssuchverhaltens in Zusammenhang gebracht. Das fünfte und letzte Kapitel baut auf den gewonnenen Erkenntnissen zur Psychometrie der Nektarqualitätswahrnehmung auf und befasst sich mit der evolutionären Entstehung von Nektareigenschaften. Diese Studien zeigen, wie die Untersuchung kognitiver Mechanismen von Bestäubern die evolutionäre und ökologische Forschung an zoophilen Pflanzen voranbringen kann. Zusätzlich wird somit Folgendes aufgewiesen: Der Methodenansatz der virtuellen Bestäubungsökologie kann aussagekräftige Erklärungen liefern für die evolutionäre Entstehung sowie Aufrechterhaltung von Pflanzenmerkmalen, die einer durch Kognition vermittelten und von Bestäubern ausgeübten Selektion unterliegen.
A diverse array of animals has specialized in consuming floral nectar – from butterflies and bees to hummingbirds and bats. The nectar characteristics of plant species often appear to reflect the needs of their dominant pollinator, for example plants pollinated by larger animals tend to produce larger amounts of nectar. This correspondence suggests that nectar traits have evolved in response to the choice behavior of pollinators. The evolutionary and ecological interaction between plants and their pollinators crucially depends on the pollinators’ ability to perceive differences in floral nectar traits and on their decision-making mechanisms. In the presented studies I adopt a cognitive ecology approach in order to investigate the role of information-processing in pollinators on the evolution of floral nectar traits. In the first three chapters I focus on the abilities of different pollinators to discriminate among sugar solutions with different concentrations. In Chapter 4 I present a detailed analysis of individual differences in the foraging context and discuss how they might relate to foraging efficiency. In the fifth and final chapter I use the findings on the psychophysics of nectar quality evaluation to address the question of the evolutionary origins of floral nectar traits. With these studies I show how the investigation of cognitive mechanisms of pollinators can inform evolutionary and ecological research on plants pollinated by animals. In addition, I demonstrate how the virtual pollination ecology methodology can explain the evolutionary origin and maintenance of plant traits that are subjected to cognition-mediated selection exerted by pollinators.

Colorectal cancer (CRC) arises in part from the dysregulation of cellular proliferation, associated with the canonical Wnt pathway, and differentiation, effected by the Notch signalling network. In this thesis, we develop a mathematical model of ordinary differential equations (ODEs) for the coupled interaction of the Notch and Wnt pathways in cells of the human intestinal epithelium. Our central aim is to understand the role of such crosstalk in the genesis and treatment of CRC. An embedding of this model in cells of a simulated colonic tissue enables computational exploration of the cell fate response to spatially inhomogeneous growth cues in the healthy intestinal epithelium. We also examine an alternative, rule-based model from the literature, which employs a simple binary approach to pathway activity, in which the Notch and Wnt pathways are constitutively on or off. Comparison of the two models demonstrates the substantial advantages of the equation-based paradigm, through its delivery of stable and robust cell fate patterning, and its versatility for exploring the multiscale consequences of a variety of subcellular phenomena. Extension of the ODE-based model to include mutant cells facilitates the study of Notch-mediated therapeutic approaches to CRC. We find a marked synergy between the application of γ-secretase inhibitors and Hath1 stabilisers in the treatment of early-stage intestinal polyps. This combined treatment is an efficient means of inducing mitotic arrest in the cell population of the intestinal epithelium through enforced conversion to a secretory phenotype and is highlighted as a viable route for further theoretical, experimental and clinical study.

This paper covers information research of basic design rules of industrial wet sumps. It describes mathematical models of vortices and method for their identification and visualization. Then the author focuses on CFD modeling of surface vortices with single phase and multiphase approach with Volume of Fluid method. Basic principles of multiphase CFD modelling in OpenFOAM and ANSYS Fluent are given. Description and benchmarking of suitable turbulence models is also present. The single phase and multiphase approach were successfully validated for a simple test case of bathtub surface vortex. Satisfactory agreement with experimental data was achieved. The accuracy and behavior of both solvers were compared between each other. This gives us useful tool for evaluation of inflow condition and danger of surface vortex occurrence in wet sumps. The acquired knowledges were used to design an experimental test case with geometry similar to industrial wet sump. A map of surface vortex occurrence has been created for different operating points. One of the operating point has been used for numerical simulation (both single phase and multiphase). Partial agreement with experimental observation has been achieved.

Cette thèse comporte quatre essais et porte sur les questions fondamentales sur la relation entre l’environnement et le développement économique. Le premier chapitre cherche à identifier les déterminants individuels et contextuels qui affectent la volonté de contribuer des gens à la lutte contre la pollution environnementale. Nos résultats révèlent que les individus riches, les personnes éduquées ainsi que les personnes possédant des valeurs post-matérialistes sont plus susceptibles d’être préoccupées par la pollution environnementale. On remarque que la caractéristique du pays de ces individus affecte leur volonté à contribuer. Ainsi, dans les pays à forte démocratie avec une forte stabilité gouvernementale, les individus sont réticents à faire des dons pour prévenir les dommages environnementaux. Le deuxième chapitre examine la relation entre la croissance économique et la dégradation de l’environnement en s’interrogeant sur la relation U inversée de Kuznets. Nos résultats empiriques ne révèlent aucune preuve de ladite relation. Cependant, nous notons l’existence d’une relation non linéaire entre la croissance économique et la dégradation de l’environnement. Les émissions ont tendance à augmenter un rythme plus rapide dans les premiers stades de la croissance économique puis dans les dernière étapes, cette hausse persiste mais à un rythme plus lent. Le troisième chapitre étudie la relation de causalité de long terme entre la consommation d'énergie propre et la croissance économique dans un groupe de pays de l’Afrique subsaharienne. Le résultat révèle l'existence d'une relation d'équilibre à long terme entre la consommation d'énergie propre et la croissance économique. En outre, la dynamique de court terme et de long terme indiquent une relation de causalité à la Granger unidirectionnelle de la consommation d'énergie propre vers la croissance économique sans aucun effet rétroactif. Le dernier chapitre de cette thèse cherche à investiguer sur la convergence des émissions de gaz entre les provinces canadiennes. L'étude montre que les émissions de gaz des provinces canadiennes sont caractérisées des convergences de clubs. En d'autres termes, on détecte l'existence d'une segmentation des émissions entre les provinces canadiennes
This thesis comprises four empirical essays on environmental and development economics. In the first chapter, we examine to what extent individual and contextual level factors influence individuals to contribute financially to prevent environmental pollution. We find that rich people, individuals with higher education, as well as those who possess post-materialist values are more likely to be concerned about environmental pollution. We also observe the country in which individuals live matter in their willingness to contribute. More precisely, we find democracy and government stability reduce individuals’ intention to donate to prevent environmental damage mainly in developed countries. The second chapter deals with the relation between economic growth and environmental degradation by focusing on the issue of whether the inverted U-shaped relation exist. The study discloses no evidence for the U-shaped relation. However, the empirical result points toward a non-linear relationship between environmental degradation and economic growth, that is, emissions tend to rise rapidly in the early stages with economic growth, and then emissions continue to increase but a lower rate in the later stages. The third chapter investigates the long-run as well as the causal relationship between energy consumption and economic growth in a group of Sub-Saharan Africa. The result discovers the existence of a long-run equilibrium relationship between clean energy consumption and economic growth. Furthermore, the short-run and the long-run dynamics indicate unidirectional Granger causality running from clean energy consumption to economic growth without any feedback effects. The last chapter of this thesis concerns with convergence of emissions across Canadian provinces. The study determines convergence clubs better characterizes Canadian’s emissions. In other words, we detect the existence of segmentation in emissions across Canadian provinces

Trabalho Final de Mestrado Integrado, Ciências Farmacêuticas, 2020, Universidade de Lisboa, Faculdade de Farmácia.
Tradicionalmente, a produção de medicamentos pela indústria farmacêutica é realizada em modo descontínuo sendo o produto acabado libertado após a sua verificação, também designado por quality-by-testing. Este fato decorre em parte devido ao elevado nível de regulação, o que, no passado, juntamente com outros fatores, dificultou a transição para processos contínuos e novos paradigmas de avaliação da qualidade. Atualmente, a transição para processos de produção em contínuo começou a ser incentivada pelas autoridades reguladoras, sendo que estes processos serão vantajosos não só para a indústria, por aumentar a eficiência dos processos de produção, mas também para os consumidores, fornecendo uma maior consistência na qualidade dos produtos fabricados. A Food and Drug Administration (FDA) e a European Medicines Agency (EMA), assim como as novas guidelines do Conselho Internacional para Harmonização de Requisitos Técnicos de Produtos Farmacêuticos para Uso Humano (ICH). incentivam agora o desenvolvimento de processos de produção de medicamentos baseados no conceito de Quality-By-Design (QbD). Permitindo implementar processos contínuos de produção baseando-se num conhecimento aprofundado das principais variáveis que influenciam o processo de fabrico, de forma a conceber um produto de qualidade e, tendo em conta que a qualidade não deve ser testada no produto final, mas sim desenvolvida desde a primeira etapa de produção. Com o conceito de QbD em mente, foi decidido, neste estudo, desenvolver um design space (DS) para um processo de granulação, uma vez que se trata de um processo importante na produção de várias formas farmacêuticas. Para isso, estudou-se uma combinação de variáveis e parâmetros do processo que demostram resultar num produto de qualidade, ou seja, dentro das especificações que foram estabelecidas. As variáveis escolhidas para este estudo incluíram a formulação e parâmetros identificados como críticos do processo. Para alcançar este objetivo, foi utilizado um método de delineamento experimental de forma a definir os ensaios a realizar. Os grânulos foram testados de acordo com vários parâmetros de qualidade de forma a estabelecer o DS. De modo a testar a influência do processo de granulação na forma farmacêutica final, foi decidido também proceder à produção de comprimidos, que foram também testados.
Traditionally the production of medicines by the pharmaceutical industry is done in batches with the finished product released after verification, also known as quality-by-testing. This is due to the fact that it is an industry with tight regulations that, in the past, together with other factors, made the transition to continuous processes, as well as quality control methods difficult. Currently, the transition to continuous processes has been encouraged by regulatory authorities as these processes will be advantageous not only for the industry, as it increases the efficiency of the processes, but also for the consumers, providing higher quality to the manufactured product. Food and Drug Administration (FDA) and the European Medicines Agency (EMA), as well as the new guidelines from the International Council for Harmonization of Technical Requirements for Pharmaceutical Products for Human Use (ICH) now encourage the development of drug manufacturing processes based on the concept of quality-bydesign(QbD), with the opportunity of implementing continuous production processes based on an in-depth knowledge of the main variables that influence the manufacturing process, in order to design a quality product, with the notion that quality cannot be tested on a product but developed from the ground up starting with the first step of production. With the concept of QbD in mind, it was decided, in this study, to develop a design space (DS) for a granulation process, an important process in the production of various pharmaceutical forms, studying a combination of variables and process parameters that guarantee to result in a product with quality, that is, within the specifications that were decided. The variables chosen for this process included the formulation and critical parameters of the process. To achieve this objective, experimental design was used in order to establish the most important tests. The granules were tested in various experiments suitable to our variables in order to establish the DS. In order to test the influence of the granulation process on the final pharmaceutical form, it was also decided to proceed with the production of tablets, which were also tested.
Com o patrocínio da Faculdade de Farmácia da Universidade de Lisboa.

碩士
淡江大學
土木工程研究所
83
Effects of the degree of saturation and void ratio on dynamic wave velocities of the wet soils are investigated with both theoretical and experimented studies in this research. Analytical three-phase models are derived from the Wood equation (Wood, 1930) using alternative postulates. Pore pressure parameters are considered in the two-phase models which consists of the soil solids and the pore fluid. With stress/strain homogeneity and strain decomposition or consistent strain definitions, different models can be derived. Parametric study is conduced in comparison with the laboratory result. It is found that the two-phase models in general provide better solutions than the three-phase models. The dynamic wave velocity which corresponds to the compressive wave is very sensitive to the air intrusion when nearly saturated. The shear wave velocity is indeed less affected by the degree of saturation. And they are found gradually increased by increasing the percentage of fine grains in the soils.

Overflow ball mills have found popular application in the ore dressing process for post-primary grinding firstly owing to their ability to produce finer grinds, necessary for efficient mineral liberation and better flotation recovery and secondly due to lower initial capital outlay. However they are inefficient and intensive energy consumers. This trend has been exacerbated in the wake of increased installation of large diameter ball mills to benefit from economies of scale, coupled with diminishing ore quality currently being experienced by mines worldwide. To fully utilise the available mill capacity and achieve optimal performance whilst maintaining energy efficiency for these large devices, closer and more effective control is needed. Satisfaction of this need would result in stability of the entire mineral processing circuit, thereby reducing the overall cost in mineral extraction. Clear and deeper understanding of the in-mill behaviour is fundamental to the realisation of the above objective. This thesis explores several experimental and modelling techniques to obtain deeper understanding of the internal behaviour of an overflow ball mill. A direct load sensor comprising an inductive proximity probe and a conductivity probe installed through the mill shell has been utilised to collect information of the media and slurry dynamic positions inside a laboratory ball mill while a commercial on-line ball and pulp sensor was employed to collect similar information on an industrial overflow ball mill. Useful insights were acquired that can help the design of control strategies for optimal mill performance. Four feature variables, i.e. dynamic media angle, slurry pool angle, conductivity signal amplitude and the slurry pool depth, derived from the sensor signals data were characteristically influenced by changes in mill operational conditions. Therefore the possibility of using these features to predict the associated mill operational variables is feasible. In view of the findings, two multivariate models, one based on the concept of data projection to latent space (PLS) and the other combining PLS and radial basis functions neural networks (RBF) were built and applied to predict the in-mill slurry density and ball load volume. Both models yielded adequate predictions, albeit the hybrid PLS-RBF model displayed marginally better prediction performance. The results are indicative of the available potential for mill on-line monitoring and control by multivariate techniques based on relevant features contained in the media and slurry sensor signals data. In another endeavour, a gamma camera was successfully employed to study the flow and mixing behaviour of slurry inside a laboratory mill using Technetium-Tc99m radiotracer as a flow follower. The effects of slurry viscosity and mill rotational speed on slurry mixing rate within the ball charge and slurry exchange rate between the pool and the ball charge were assessed, yielding insightful data. However, the results remain inconclusive as only qualitative information could be obtained owing to the radiation attenuation effects by the steel ball charge. In the quest to improve the understanding of material transport inside the mill, the data acquired on an industrial mill through salt tracer tests was adequately analysed to assess the variation of slurry residence time distribution (RTD) and volumetric holdup inside the mill as affected by changes in slurry concentration and ball load volume. A model based on the concept of serial stirred mixers with a plug flow component produced fairly accurate predictions of the RTD data. Also, equations derived from a mathematical description of the dynamic load profile produced good estimates of the in-mill slurry volumetric holdup. Further, an improved mixing-cell model was developed and applied to characterise the in-mill slurry hydrodynamic transport based on the measured RTD data. The model was able to account for the effects of non-ideal flow conditions such as slurry back-mixing, slurry exchange between the pool and ball charge and bypass flows on the main flow of slurry thus giving correct description of the inherent in-mill slurry transport dynamics. Note that failure to tune the mill appropriately to achieve desirable in-mill slurry transport behaviour may result in poor milling performance and corresponding high energy expenditure. Thus, the results obtained in this thesis clearly demonstrate that, a combination of experimental techniques and mathematical models is a viable route to enhance understanding of mill internal behaviour, which in turn enables development of better control schemes for optimal mill performance.

Dam or full-mixed concrete is produced with large aggregates which implies the use of large specimens, heavy laboratory equipment and non-standard embedding monitoring devices. The wet-screened concrete, obtained from the full-mixed concrete by sieving the larger aggregates while the concrete is still fresh, is used to cast smaller specimens and embed standard monitoring devices. This thesis focuses on the prediction of the structural properties of dam concrete based on wet-screened concrete experimental results, analytical models and detailed particle models in which the mesostructure is represented. In order to study the effect of wet-screening, an in situ experimental setup and a series of laboratory tests were carried out for both dam and wet-screened concretes. Three sets of creep cells were installed in a dam which allowed for the improvement of the experimental setup and the testing procedures, aiming to reduce costs, to facilitate the installation in situ and to increase the reliability of the results. The test results revealed the differences between the two types of concrete and the influence of the coarse aggregate on the deformability and strength properties. Different analytical models based on composite models, on the equivalent age method, on size effect and on the Abrams law were developed to describe the instantaneous and delayed behaviour of concrete using the composition data and to establish a practical relationship between dam and wet-screened concrete behaviour. Similarly, a numerical solution based on the discrete element method applied to particle models was developed to predict the behaviour of dam concrete. A new fast numerical procedure for long-term analysis taking into account the aging viscoelastic behaviour of cementitious material is proposed. Particle models are especially suited for modelling dam concrete since the coarse aggregate structure can be explicitly represented, allowing the study of stress distribution inside the specimen and the study of complex failure patterns both in tension and compression. For the two types of approaches, the obtained experimental results were used to calibrate the main parameters and to validate the analytical and numerical prediction models. The experimental results and the development of physically-based models highlighted the particular properties of dam concrete, allowed for a significant contribution to the analysis of concrete instantaneous and delayed behaviour and presented new approaches for the prediction of dam concrete behaviour based on the wet-screened properties.

There are as yet few studies of the hydrogeology of sulphide-mining districts in wet, temperate, mountainous areas of the world. This is despite the importance of understanding the influence of hydrogeology on the evolution and management of environmental issues such as acid mine drainage (AMD). There is a need to determine whether the special climatic and geological features of such districts result in distinct groundwater behaviours and compositions which need to be considered in mining impact studies. The present study addresses this information gap by broadly delineating the groundwater regime within the temperate Rosebery catchment, western Tasmania, Australia. The mountainous Rosebery catchment contains the large, active, underground, polymetallic Rosebery mine, based on a sulphide deposit hosted in the Cambrian Mount Read Volcanics. Rainfall in the Rosebery region far exceeds evapotranspiration and supports a dense cover of vegetation. The Rosebery groundwater system provides an example of an area in which groundwater management and hydrogeological research is in its infancy, as it is in many regions with similar settings. Although the area has been glaciated historically, mine data, particularly rock quality designator (RQD) values, provides clear evidence of: (i) a weathering induced increase in permeability within 100 m of the natural ground surface; (ii) an increased permeability associated with shear zones and faults; and (iii) beyond a depth of 100 m, a uniform decrease in permeability with depth below the ground surface. Insights into groundwater flow have been provided by qualitative and quantitative observations of piezometric level in 29 exploration drillholes, 8 piezometers, discharging groundwaters, and surface water flow monitoring points. Together piezometric heads, flow rates, and calculated material properties have provided the framework for developing a conceptual model of the groundwater regime within the Rosebery catchment. The groundwater flow system is typified by a deep fractured aquifer (which contain the mine voids), overlain by surficial glacial deposits and weathered material. Significant interaction between surface waters and groundwater was observed throughout the catchment. Geochemistry provided support for conceptual flows and justification of the modelling approaches. Potential acid-generating and neutralising minerals were identified by examining whole-rock geochemistry. The net acid generation and acid consuming potential of Rosebery materials were quantified. The results indicated that mined materials at Rosebery have the potential to produce a significant volume of acid mine drainage. At the Rosebery mine, metal contaminated waters originate from localised point sources of sulphides, such as tailings dams, waste rock, and mine workings. Waters are contaminated by AMD, resulting in elevated levels of H\(_2\)SO\(_4\) as well as the elements Pb, Zn, Cu, Fe, Mn, Mg Cd, Al, and Ca. The Mg content of AMD indicates that neutralisation is occurring, most likely through the dissolution of the hypogene minerals chlorite, ankerite, and dolomite. Although background surface waters and contaminated mine waters are acidic, regionally the groundwaters sampled are near-neutral. The quantification of the important flows in the conceptual model of the Rosebery catchment allows the construction of a water balance, which provides a reasonable estimation of annual flows. The average precipitation rate across the catchment is estimated at 8.4 m3/s. The water budget for the Rosebery catchment is: (i) 42% of precipitation runs off to become true surface water flow (including interflow); (ii) 24% of precipitation is lost to evapotranspiration; (iii) 17% of precipitation becomes groundwater and is discharged as baseflow into creeks and rivers within the catchment; and (iv) 18% remains as groundwater discharging into the regional groundwater system outside of the catchment or into the Pieman River system. The water balance highlights the importance of groundwater in the catchment, with a groundwater to surface water flow rate ratio of 1:1.2. The water balance was applied to three scenarios: (i) a quantification of the contribution of the open pit to underground flows; (ii) the filling of the southern exploration decline; and (iii) the filling of the mine after decommissioning. This work indicated that the open cut makes only a minor contribution to underground water flow and that the mine is expected to fill to a decant point after six years. A steady-state, 3D numerical groundwater flow MODFLOW model with a geometry representative of the hydrogeologic environment around the Rosebery mine and surrounding catchment was produced. To satisfactorily represent the dual aquifer system, deep fracture flow on a regional scale was represented by a continuum approach to couple with true porous media flow (and shallow fracture flow) in the near surface aquifer. The groundwater model was calibrated to the local observations and water balance to represent the mine whilst in operation. A predictive closure scenario was undertaken using the calibrated model in a non-operational state by eliminating pumping to simulate a flooded mine. Particle tracking was used to plot potential contaminant flow pathways from the mine in the Rosebery catchment. Numerical modelling identified that the potential hydrogeological area of influence of the mine was chiefly controlled by the topography of the host catchment. The topographically-driven western flows off Mount Black are redirected south, primarily by the conduits of the mine workings. Conceptualisation of the groundwater regime improved using computer generated 3D visualisation, and through the numerical modelling exercise. The numerical modelling suggested that the potential area of discharge for contaminated mine waters is far more limited in extent than was previously believed by mine personnel. This area is limited to: (i) areas along the Stitt River and Rosebery Creeks, which are already experiencing significant acid mine drainage contamination; and (ii) a very limited area south and north of the Pieman River’s confluence with the Stitt River. The implications of understanding the area of potential influence are: (i) resources for future monitoring investigations can be focussed in this discrete area; (ii) the scale of future modelling efforts can be restricted to this area, improving detail and limiting computational requirements; and (iii) background monitoring beyond this area can be used to further test the model and provide data for future model calibration and validation. The present study at Rosebery has wider implications for researching groundwater in wet temperate mountainous sulphide mining terrains. The characteristic feature of such terrains is the local spatial variation in precipitation, evapotranspiration, and therefore recharge. Estimating a representative recharge remains the pivotal quantification for undertaking groundwater investigations in such climates. The significant interaction of surface waters and the groundwater system in wet, temperate, mountainous environments requires modelling to be capable of accounting for this interaction. Surface water and groundwater interactions present an opportunity to investigate the groundwater regime at the surface and near surface in shallow drillholes. Gauging stream flow for baseflow contribution provides important quantification of groundwater flow where suitable drillhole flow data is scarce, a common state in mined settings. Mine outflows also provide an important quantification of groundwater flow on a large scale. The present study proposed a method for amalgamating these data which is applicable in other similar environments. The challenges encountered in the present study provide insight into planning for similar mining projects. Prior to the present study, there was no general knowledge of the groundwater patterns of the region, and no clear idea of whether the Rosebery mine had an influence on the regional groundwater regime. There was no historical information of the type that is usually associated with groundwater resource investigations, and the nature of exploration drillholes meant that some typical groundwater research methodologies were not practical at Rosebery. This resulted in the investigation taking a different research approach compared to that typically used for groundwater evaluation in, for instance, agricultural districts. Although the present study attempted to endure without standard hydrogeological data, there remains a significant gap in the reliabilty of the modelling. This is a situation that faces most mines nearing closure, when cash flow is likely to be reduced. Time-series piezometric levels, and a larger hydraulic property dataset were the key gaps identified in the present study. Appropriate budgeting for the acquisition of such information should be considered a priority for groundwater investigations of wet, temperate, sulphide-mining districts elsewhere.