The transport or the separation of solid particles or droplets suspended in a fluid flow is a common task in mechanical and process engineering. To improve machinery and physical processes (e.g. for coal combustion, reduction of NO_x and soot) an optimization of complex phenomena by simulation applying the fundamental conservation equations is required. Fluid-particle flows are characterized by the ratio of density of the two phases gamma=rho_P/rho_F, by the Stokes number St=tau_P/tau_F and by the loading in terms of void and mass fraction. Those numbers (Stokes number, gamma) define the flow regime and which relevant forces are acting on the particle. Dependent on the geometrical configuration the particle-wall interaction might have a heavy impact on the mean flow structure. The occurrence of particle-particle collisions becomes also more and more important with the increase of the local void fraction of the particulate phase. With increase of the particle loading the interaction with the fluid phase can not been neglected and 2-way or even 4-way coupling between the continous and disperse phases has to be taken into account. For dilute to moderate dense particle flows the Euler-Lagrange method is capable to resolve the main flow mechanism. An accurate computation needs unfortunately a high number of numerical particles (1,...,10^7) to get the reliable statistics for the underlying modelling correlations. Due to the fact that a Lagrangian algorithm cannot be vectorized for complex meshes the only way to finish those simulations in a reasonable time is the parallization applying the message passing paradigma. Frank et al. describes the basic ideas for a parallel Eulererian-Lagrangian solver, which uses multigrid for acceleration of the flow equations. The performance figures are quite good, though only steady problems are tackled. The presented paper is aimed to the numerical prediction of time-dependend fluid-particle flows using the simultanous particle tracking approach based on the Eulerian-Lagrangian and the particle-source-in-cell (PSI-Cell) approach. It is shown in the paper that for the unsteady flow prediction efficiency and load balancing of the parallel numerical simulation is an even more pronounced problem in comparison with the steady flow calculations, because the time steps for the time integration along one particle trajectory are very small per one time step of fluid flow integration and so the floating point workload on a single processor node is usualy rather low. Much time is spent for communication and waiting time of the processors, because for cold flow particle convection not very extensive calculations are necessary. One remedy might be a highspeed switch like Myrinet or Dolphin PCI/SCI (500 MByte/s), which could balance the relative high floating point performance of INTEL PIII processors and the weak capacity of the Fast-Ethernet communication network (100 Mbit/s) of the Chemnitz Linux Cluster (CLIC) used for the presented calculations. Corresponding to the discussed examples calculation times and parallel performance will be presented. Another point is the communication of many small packages, which should be summed up to bigger messages, because each message requires a startup time independently of its size. Summarising the potential of such a parallel algorithm, it will be shown that a Beowulf-type cluster computer is a highly competitve alternative to the classical main frame computer for the investigated Eulerian-Lagrangian simultanous particle tracking approach.

The ubiquitous abundance of organic compounds in natural and anthorpogenically influenced eco-systems has put these compounds into the focus of atmospheric research. Organic compounds have an impact on air quality, climate, and human health. Moreover, they affect particle growth, secondary organic aerosol (SOA) formation, and the global radiation budget by altering particle properties. To investigate the multiphase chemistry of organic compounds and interactions with the aqueous phase in the troposphere, modelling can provide a useful tool. The oxidation of larger organic molecules to the final product CO2 can involve a huge number of intermediate compounds and tens of thousands of reactions. Therefore, the creation of explicit mechanisms relies on automated mechanism construction. Estimation methods for the prediction of the kinetic data needed to describe the degradation of these intermediates are inevitable due to the infeasibility of an experimental determination of all necessary data. Current aqueous phase descriptions of organic chemistry lag behind the gas phase descriptions in atmospheric chemical mechanisms despite its importance for the multiphase chemistry of organic compounds. In this dissertation, the gas phase mechanism Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A) has been advanced by a protocol for the description of the oxidation of organic compounds in the aqueous phase. Therefore, a database with kinetic data of 465 aqueous phase hydroxyl radical and 129 aqueous phase nitrate radical reactions with organic compounds has been compiled and evaluated. The database was used to evaluate currently available estimation methods for the prediction of aqueous phase kinetic data of reactions of organic compounds. Among the investigated methods were correlations of gas and aqueous kinetic data, kinetic data of homologous series of various compound classes, reactivity comparisons of inorganic radical oxidants, Evans-Polanyi-type correlations, and structure-activity relationships (SARs). Evans-Polanyi-type correlations have been improved for the purpose of automated mechanism self-generation of mechanisms with large organic molecules. A protocol has been designed based on SARs for hydroxyl radical reactions and the improved Evans-Polanyi-type correlations for nitrate radical reactions with organic compounds. The protocol was assessed in a series of critical sensitivity studies, where uncertainties of critical parameters were investigated. The advanced multiphase generator GECKO-A was used to generate mechanisms, which were applied in box model studies and validated against two sets of aerosol chamber experiments. Experiments differed by the initial compounds used (hexane and trimethylbenzene) and the experimental conditions (UV-C lights off/on and additional in-situ hydroxyl radical source no/yes). Reasonable to good agreement of the modelled and experimental results was achieved in these studies. Finally, GECKO-A was used to create two new CAPRAM version, where, for the first time, branchingratios for different reaction pathways were introduced and the chemistry of compounds with up to four carbon atoms has been extended. The most detailed mechanism comprises 4174 compounds and 7145 processes. Detailed investigations were performed under real tropospheric conditions in urban and remote continental environments. Model results showed significant improvements, especially in regard to the formation of organic aerosol mass. Detailed investigations of concentration-time profiles and chemical fluxes refined the current knowledge of the multiphase processing of organic compounds in the troposphere, but also pointed at current limitations of the generator protocol, the mechanisms created, and current understanding of aqueous phase processes of organic compounds. / Das zahlreiche Vorkommen organischer Verbindungen in natürlichen und anthropogen beeinflussten Ökosystemen hat diese Verbindungen in den Fokus der Atmosphärenforschung gerückt. Organische Verbindungen beeinträchtigen die Luftqualität, die menschliche Gesundheit und das Klima. Weiterhin werden Partikelwachstum und -eigenschaften, sekundäre organische Partikelbildung und dadurch der globale Strahlungshaushalt durch sie beeinflusst. Um die troposphärische Multiphasenchemie organischer Verbindungen und Wechselwirkungen mit der Flüssigphase zu untersuchen, sind Modellstudien hilfreich. Die Oxidation großer organischer Moleküle führt zu einer Vielzahl an Zwischenprodukten. Der Abbau erfolgt in unzähligen Reaktionen bis hin zum Endprodukt CO2. Bei der Entwicklung expliziter Mechanismen muss deshalb für diese Verbindungen auf computergestützte, automatisierte Methoden zurückgegriffen werden. Abschätzungsmethoden für die Vorhersage kinetischer Daten zur Beschreibung des Abbaus der Zwischenprodukte sind unabdingbar, da eine experimentelle Bestimmung aller benötigten Daten nicht realisierbar ist. Die derzeitige Beschreibung der Flüssigphasenchemie unterliegt deutlich den Beschreibungen der Gasphase in atmosphärischen Chemiemechanismen trotz deren Relevanz für die Multiphasenchemie. In dieser Arbeit wurde der Gasphasenmechanismusgenerator GECKO-A (“Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere”) um ein Protokoll zur Oxidation organischer Verbindungen in der Flüssigphase erweitert. Dazu wurde eine Datenbank mit kinetischen Daten von 465 Hydroxylradikal- und 129 Nitratradikalreaktionen mit organischen Verbindungen angelegt und evaluiert. Mit Hilfe der Datenbank wurden derzeitige Abschätzungsmethoden für die Vorhersage kinetischer Daten von Flüssigphasenreaktionen organischer Verbindungen evaluiert. Die untersuchten Methoden beinhalteten Korrelationen kinetischer Daten aus Gas- und Flüssigphase, homologer Reihen verschiedener Stoffklassen, Reaktivitätsvergleiche, Evans-Polanyi-Korrelationen und Struktur-Reaktivitätsbeziehungen. Für die Mechanismusgenerierung großer organischer Moleküle wurden die Evans-Polanyi-Korrelationen in dieser Arbeit weiterentwickelt. Es wurde ein Protokol für die Mechanismusgenerierung entwickelt, das auf Struktur-Reaktivitätsbeziehungen bei Reaktionen von organischen Verbindungen mit OH-Radikalen und auf den erweiterten Evans-Polanyi-Korrelationen bei NO3-Radikalreaktionen beruht. Das Protokoll wurde umfangreich in einer Reihe von Sensitivitätsstudien getestet, um Unsicherheiten kritischer Parameter abzuschätzen. Der erweiterte Multiphasengenerator GECKO-A wurde dazu verwendet, neue Mechanismen zu generieren, die in Boxmodellstudien gegen Aerosolkammerexperimente evaluiert wurden. Die Experimentreihen unterschieden sich sowohl in der betrachteten Ausgangssubstanz (Hexan und Trimethylbenzen) und dem Experimentaufbau (ohne oder mit UV-C-Photolyse und ohne oder mit zusätzlicher partikulärer Hydroxylradikalquelle). Bei den Experimenten konnte eine zufriedenstellende bis gute Übereinstimmung der experimentellen und Modellergebnisse erreicht werden. Weiterhin wurde GECKO-A verwendet, um zwei neue CAPRAM-Versionen mit bis zu 4174 Verbindungen und 7145 Prozessen zu generieren. Erstmals wurden Verzweigungsverhältnisse in CAPRAM eingeführt. Außerdem wurde die Chemie organischer Verbindungen mit bis zu vier Kohlenstoffatomen erweitert. Umfangreiche Untersuchungen unter realistischen troposphärischen Bedingungen in urbanen und ländlichen Gebieten haben deutliche Verbesserungen der erweiterten Mechanismen besonders in Bezug auf Massenzuwachs des organischen Aerosolanteils gezeigt. Das Verständnis der organischen Multiphasenchemie konnte durch detaillierte Untersuchungen zu den Konzentrations-Zeit-Profilen und chemischen Flüssen vertieft werden, aber auch gegenwärtige Limitierungen des Generators, der erzeugten Mechanismen und unseres Verständnisses für Flüssigphasenprozesse organischer Verbindungen aufgezeigt werden.

The Nigeria economy is wholly dependent on revenue from oil. However, bitumen has been discovered in the country since 1903 and has remained untapped over the years. The need for the country to complement oil exploration with the huge bitumen deposit cannot be overemphasized. This will help to improve the country's gross domestic product (GDP) and revenue available to government. Bitumen is classifled as heavy crude with API (American petroleum Institute) number ranging between 50 and 110 and occurs in Nigeria, Canada, Saudi Arabia, Venezuela etc from which petroleum products could be derived. This dissertation looked at the Canadian experience by comparing the oil and tar sand deposit found in Canada with particular reference to Athabasca (Grosmont, Wabiskaw McMurray and Nsiku) with that in Nigeria with a view of transferring process technology from Canada to Nigeria. The Nigeria and Athabasca tar sands occur in the same type of environment. These are the deltaic, fluvial marine deposit in an incised valley with similar reservoir, chemical and physical properties. However, the Nigeria tar sand is more asphaltenic and also contains more resin and as such will yield more product volume during hydro cracking albeit more acidic. The differences in the components (viscosity, resin and asphaltenes contents, sulphur and heavy metal contents) of the tar sands is within the limit of technology adaptation. Any of the technologies used in Athabasca, Canada is adaptable to Nigeria according to the findings of this research. The techno-economics of some of the process technologies are. x-rayed using the PTAC (petroleum technology alliance Canada) technology recovery model in order to obtain their unit cost for Nigeria bitumen. The unit cost of processed bitumen adopting steam assisted gravity drainage (SAGD), in situ combustion (ISC) and cyclic steam stimulation (CSS) process technology is 40.59, 25.00 and 44.14 Canadian dollars respectively. The unit cost in Canada using the same process technology is 57.27, 25.00 and 61.33 Canadian dollars respectively. The unit cost in Nigeria is substantively lesser than in Canada. A trade off is thereafter done using life cycle costing so as to select the best process technology for the Nigeria oil/tar sands. The net present value/internal rate of return is found to be B$3,062/36.35% for steam assisted gravity drainage, B$I,570124.51 % for cyclic steam stimulation and B$3,503/39.64% for in situ combustion. Though in situ combustion returned the highest net present value and internal rate of return, it proved not to be the best option for Nigeria due to environmental concern and response time to production. The best viable option for the Nigeria tar sand was then deemed to be steam assisted gravity drainage. An integrated oil strategy coupled with cogeneration using MSAR was also seen to considerably amplify the benefits accruable from bitumen exploration; therefore, an investment in bitumen exploration in Nigeria is a wise economic decision. / Thesis (M.Ing. (Development and Management))--North-West University, Potchefstroom Campus, 2010.

The Nigeria economy is wholly dependent on revenue from oil. However, bitumen has been discovered in the country since 1903 and has remained untapped over the years. The need for the country to complement oil exploration with the huge bitumen deposit cannot be overemphasized. This will help to improve the country's gross domestic product (GDP) and revenue available to government. Bitumen is classifled as heavy crude with API (American petroleum Institute) number ranging between 50 and 110 and occurs in Nigeria, Canada, Saudi Arabia, Venezuela etc from which petroleum products could be derived. This dissertation looked at the Canadian experience by comparing the oil and tar sand deposit found in Canada with particular reference to Athabasca (Grosmont, Wabiskaw McMurray and Nsiku) with that in Nigeria with a view of transferring process technology from Canada to Nigeria. The Nigeria and Athabasca tar sands occur in the same type of environment. These are the deltaic, fluvial marine deposit in an incised valley with similar reservoir, chemical and physical properties. However, the Nigeria tar sand is more asphaltenic and also contains more resin and as such will yield more product volume during hydro cracking albeit more acidic. The differences in the components (viscosity, resin and asphaltenes contents, sulphur and heavy metal contents) of the tar sands is within the limit of technology adaptation. Any of the technologies used in Athabasca, Canada is adaptable to Nigeria according to the findings of this research. The techno-economics of some of the process technologies are. x-rayed using the PTAC (petroleum technology alliance Canada) technology recovery model in order to obtain their unit cost for Nigeria bitumen. The unit cost of processed bitumen adopting steam assisted gravity drainage (SAGD), in situ combustion (ISC) and cyclic steam stimulation (CSS) process technology is 40.59, 25.00 and 44.14 Canadian dollars respectively. The unit cost in Canada using the same process technology is 57.27, 25.00 and 61.33 Canadian dollars respectively. The unit cost in Nigeria is substantively lesser than in Canada. A trade off is thereafter done using life cycle costing so as to select the best process technology for the Nigeria oil/tar sands. The net present value/internal rate of return is found to be B$3,062/36.35% for steam assisted gravity drainage, B$I,570124.51 % for cyclic steam stimulation and B$3,503/39.64% for in situ combustion. Though in situ combustion returned the highest net present value and internal rate of return, it proved not to be the best option for Nigeria due to environmental concern and response time to production. The best viable option for the Nigeria tar sand was then deemed to be steam assisted gravity drainage. An integrated oil strategy coupled with cogeneration using MSAR was also seen to considerably amplify the benefits accruable from bitumen exploration; therefore, an investment in bitumen exploration in Nigeria is a wise economic decision. / Thesis (M.Ing. (Development and Management))--North-West University, Potchefstroom Campus, 2010.

Reservoir testing and analysis are fundamental tools in understanding reservoir hydraulics and hence forecasting reservoir responses. The quality of the analysis is very dependent on the conceptual model used in investigating the responses under different flowing conditions. The use of reservoir testing in the characterization and derivation of reservoir parameters is widely established, especially in conventional oil and gas reservoirs. However, with depleting conventional reserves, the quest for unconventional reservoirs to secure the increasing demand for energy is increasing; which has triggered intensive research in the fields of reservoir characterization. Gas hydrate reservoirs, being one of the unconventional gas reservoirs with huge energy potential, is still in the juvenile stage with reservoir testing as compared to the other unconventional reservoirs. The endothermic dissociation hydrates to gas and water requires addressing multiphase flow and heat energy balance, which has made efforts to develop reservoir testing models in this field difficult. As of now, analytically quantifying the effect on hydrate dissociation on rate and pressure transient responses are till date a huge challenge. During depressurization, the heat energy stored in the reservoir is used up and due to the endothermic nature of the dissociation; heat flux begins from the confining layers. For Class 3 gas hydrates, just heat conduction would be responsible for the heat influx and further hydrate dissociation; however, the moving boundary problem could also be an issue to address in this reservoir, depending on the equilibrium pressure. To address heat flux problem, a proper definition of the inner boundary condition for temperature propagation using a Clausius-Clapeyron type hydrate equilibrium model is required. In Class 1 and 2, crossflow problems would occur and depending on the layer of production, convective heat influx from the free fluid layer and heat conduction from the cap rock of the hydrate layer would be further issues to address. All these phenomena make the derivation of a suitable reservoir testing model very complex. However, with a strong combination of heat energy and mass balance techniques, a representative diffusivity equation can be derived. Reservoir testing models have been developed and responses investigated for different boundary conditions in normally pressured Class 3 gas hydrates, over-pressured Class 3 gas hydrates (moving boundary problem) and Class 1 and 2 gas hydrates (crossflow problem). The effects of heat flux on the reservoir responses have been addressed in detail.

O interesse na medição do perfil de velocidade na área de fluidodinâmica tem crescido nos últimos anos devido a evolução das técnicas de medição. Nesse contexto, a técnica ultrassônica tem se destacado por ser não intrusiva, não invasiva e funcionar mesmo em fluidos opacos. Neste trabalho foi investigado a técnica de ultrassom Doppler para medição de perfis de velocidade, utilizando equipamentos ultrassônicos para ensaios-não-destrutivos (END). Tais equipamentos são mais acessíveis do que equipamentos convencionais de medição de velocidade por ultrassom. Também foi proposto o uso da técnica de autocorrelação estendida (EAM), para medição de velocidades além do limite de Nyquist. Essa restrição existe na grande maioria dos medidores, que utilizam a técnica convencional de autocorrelação (ACM). O EAM combina o ACM com o método da correlação cruzada (CCM), outro estimador amplamente conhecido, mas que não é muito utilizado devido a seu alto custo computacional. Desta forma, o EAM consegue medir velocidades maiores com um custo computacional intermediário, que não é tão baixo quanto o ACM e nem tão alto quanto o CCM. Para adquirir e processar os dados obtidos, foi desenvolvido um sistema para aquisição e processamento dos sinais baseado na linguagem LabView. O pulsador ultrassônico END e os estimadores de velocidade por EAM, CCM e ACM foram validados medindo o perfil de velocidade em um cilindro girante, capaz de fornecer velocidades controladas de fácil solução analítica. Os resultados mostram erros médios quadráticos abaixo de 2%, validando o equipamento e a técnica. O EAM também mediu velocidades acima no limite de Nyquist com um desempenho computacional de 9 vezes maior do que o CCM. Na segunda parte deste trabalho, a técnica ultrassônica de medição de velocidade foi aplicada para medição de escoamentos multifásicos em tubulações, tema de grande interesse da indústria de petróleo e gás. Um escoamento vertical líquido-gás-sólido foi analisado com o mesmo equipamento END. Primeiramente, o perfil de velocidade do escoamento liquido-sólido em regime laminar, foi medido e validado utilizando um equipamento Coriolis como referência. Em seguida, foram realizados testes adicionando gás ao escoamento. As velocidades superficiais de líquido e gás foram variadas para gerar os padrões de escoamento tipo bolhas dispersas, intermitente e intermitente aerado. Os resultados foram comparados a imagens de uma filmadora de alta velocidade. Foram obtidos parâmetros como perfil de velocidade das bolhas dispersas, velocidade do filme de líquido e velocidade da mistura dependendo do padrão de escoamento analisado. Assim, a medição de velocidade por ultrassom Doppler, utilizando um equipamento de END, foi aplicado com sucesso em dois problemas de fluidodinâmica. / Interest in knowing the instantaneous velocity profile in fluid dynamics has grown in recent years as new flow visualization techniques are improving. In this context, the ultrasonic Doppler velocity profiler (UVP) has desirable characteristics, as it is non-invasive, works with opaque liquids, and it is portable and easy to install if compared with other velocity profiler methods. In this work, the use of nondestructive ultrasonic devices in the UVP field is investigated. NDT systems are widely available and have lower cost if compared to traditional ultrasonic velocity profiler systems. The use of an extended autocorrelation method (EAM) for ultrasonic velocity estimation beyond Nyquist limit are also evaluated. The Nyquist limit causes a restriction on the maximum measurable velocity of the traditional autocorrelation method (ACM), present in most of ultrasonic velocity profiler systems. EAM combines the ACM technique with cross-correlation method (CCM) which is a well-established velocity estimator that does not suffer with Nyquist limit. However, the technique has a high computational cost that limits real time applications. EAM has the advantage of measure velocities beyond the Nyquist limit but with a lower computational cost than CCM. To evaluate the NDT device and the velocity estimation techniques ACM, CCM and EAM, a data acquisition system and a signal-processing unit based on LabView language were developed. The velocity profile of a rotating cylinder was used to validate all measurements. The techniques ACM, CCM and EAM successfully measured velocities within Nyquist limit with less than 2% deviation, validating the NDT system. EAM also measured velocities beyond Nyquist limit with a computational performance 9 times faster than CCM. The ultrasonic technique was also applied to measure the velocity profile of a multiphase flow in a pipeline, which are of great interest in oil and gas industry. Tests within a multiphase flow composed by different combinations of oil/sand/nylon-particles and gas were conducted in a vertical rig. A high-speed camera was used to validate the measurements. First the ultrasonic velocity profile measured was validated in a liquid-solid flow by using a Coriolis flowmeter as a reference. Next, superficial liquid and gas velocity were controlled to obtain different flow patterns such as bubbly flow and slug flow. The technique measured the bubbles velocity, the mixture velocity and the liquid film velocity depending on the flow pattern. Finally, the ultrasonic NDT system was successfully applied to investigate two different fluid engineering problems.

CNPq; FUNTEF-PR / Sensores wire-mesh (WMS) são capazes de gerar imagens da seção transversal de escoamentos multifásicos e tem sido amplamente utilizados para investigar fenômenos de escoamentos em plantas piloto. Tais dispositivos são capazes de medir parâmetros de escoamento tais como distribuição da fração de fase (por exemplo fração de gás ou líquido) e visualizar escoamentos multifásicos com alta resolução temporal e espacial. Sendo portanto, uma ferramenta importante para investigações de escoamentos mais detalhadas. No entanto, seu princípio de medição é baseado em eletrodos intrusivos posicionados dentro do tubo onde o escoamento flui. A resolução da imagem gerada pelo sensor é dada pelo número de cruzamentos entre os fios transmissores e receptores. Em muitos processos, no entanto, efeitos de intrusividade de tal sensor pode ser uma limitação no seu uso. Por isso, um número reduzido de fios poderia permitir uma expansão do campo de aplicações do sensor wire-mesh. Por essa razão, o presente trabalho sugere um método de reconstrução de imagem para aumentar a resolução dos dados de um sensor wire-mesh com um número de eletrodos menor que o ótimo. Desta forma, os efeitos de intrusividade no processo investigado poderiam ser reduzidos. O método de reconstrução é baseado em uma abordagem estatística de regularização e é conhecido como Maximum a Posteriori (MAP). Dados de escoamento de um WMS 16x16 são usados para determinar um modelo gaussiano multivariável do escoamento, o qual são empregados como regularização na reconstrução. Uma matriz de sensitividade é estimada pelo método de elementos finitos (FEM) para incorporar o algoritmo MAP. Dados experimentais são usados para validar o método proposto, sendo comparado com interpolação do tipo spline. Resultados experimentais mostram que a reconstrução por MAP possui um desempenho melhor do que interpolação do tipo spline, alcançando desvios de fração de vazio dentro de uma faixa de ± 10% na grande maioria dos pontos de operação. A validação foi executada em um loop de escoamento horizontal água/gás em regime intermitente (golfada). / Wire-mesh sensors (WMS) are able to generate cross-sectional images of multiphase flow and have been widely used to investigate flow phenomena in pilot plant studies. Such devices are able to measure flow parameters such as phase fraction (e.g. gas/liquid fraction) distribution and visualize multiphase flows with high temporal and spatial resolution. Hence, being important tool for detailed flow investigation. However, its sensing principle is based on intrusive electrodes placed inside the pipe where a multiphase flow streams. The image resolution generated by the sensor is given by the number of crossing points formed by the transmitter and receptor wires. In many processes, however, the intrusive effect of such sensor might be a limitation on its use. Therefore, a reduced number of wires could possibly increase the application field of wire-mesh sensors. For this reason, the present work presents an image reconstruction method to increase resolution of WMS data with less than optimal number of electrode wires. In this way, a reduction of intrusive effects on the process under investigation may be achieved. The reconstruction method is based on statistical view of regularization and is known as Maximum a Posterior (MAP). 16x16 WMS flow data are used to determine a Multivariate Gaussian flow model, which in turn is used as regularization in the reconstruction. A sensitive matrix is estimated by finite element method (FEM) to incorporate MAP algorithm. Experimental data are used to validate the proposed method, which is compared with spline interpolation. Experimental results show that the MAP reconstruction performs better than interpolation and achieves deviation in gas void fraction estimation in the range of ±10% in the vast majority of operating points. The tests were performed in a horizontal water-gas flow loop operating at intermittent (slug) flow regime.

Aujourd’hui, plus de 65% des sites pollués en France le sont par des COVs (BASOL), considérés comme étant très dangereux et toxiques pour l’homme et l’environnement. Cela nécessite d’utiliser des techniques de traitement pour restaurer les sites et limiter les risques de propagation vers les eaux souterraines. L’extraction multiphasique MPE est une méthode physique de traitement des COVs. Elle a plusieurs avantages : essentiellement économique, le fait de pouvoir être utilisée in-situ et le fait de permettre la remédiation simultanée de deux zones saturée et non saturée du sous-sol. L’objectif de cette thèse est d’étudier cette technique en développant un modèle mathématique qui permet de décrire l’écoulement multiphasiques des différentes phases, le transport et le transfert de masse entre ces phases. Deux sols sableux et un polluant modèles sont choisis et caractérisés. Des dispositifs expérimentaux sont utilisés pour l’étude de l’écoulement diphasique et multiphasique ainsi que l’étude de transfert de masse. Un modèle numérique est développé, il se compose de trois EDPs pour l’écoulement (gazeuse, aqueuse et PLNA) et quatre EDPs pour le transport/transfert de masse pour chaque composé. La validation du modèle MPE est réalisée par la vérification de différentes parties qui le constituent séparément. La partie de l’écoulement diphasique est vérifiée à travers les résultats d’expérience de drainage sur colonne 1D et sur des résultats issus de la littérature d’une cellule type Hele-show 2D. L’importance du choix des conditions aux limites est mise en évidence. La partie de l’écoulement triphasique est vérifiée à travers les résultats d’expériences d’infiltration sur cellule 2D, l’une réalisée au laboratoire et l’autre issue de la littérature. L’étude porte sur l’effet du choix des dimensions d’expériences de laboratoire sur l’extrapolation des résultats à l’échelle du terrain. La partie transport/transfert de polluant est vérifiée à travers des expériences d’extraction sous vide/Venting. Le coefficient de transfert est déterminé avec une meilleure précision que celle des modèles issus de la littérature. Enfin une simulation à l’échelle de terrain est effectuée avec le modèle MPE pour simuler la dépollution d’un site pollué selon un scénario supposé et développé par la MPE. Les limites de la méthode pour la dépollution de la frange capillaire sont mises en évidence. / Today, over 65% of polluted sites in France are by VOCs (BASOL), considered to be very dangerous and toxic to humans and the environment. This requires using treatment techniques to restore the sites and limit the risk of spread to groundwater. The multiphase extraction MPE is a physical method of soil VOCs treatment. It has several advantages: essentially economic, being able to be used in site and permitting the simultaneous remediation of both saturated and unsaturated zones. The objective of this thesis is to study this technique by developing a mathematical model to describe the multiphase flow of different phases, transport and mass transfer between these phases. Two sandy soils and a pollutant models are selected and characterized. Experimental devices are used to study the two-phase, multiphase flow and mass transfer. A numerical model is developed; it consists of three PDEs for the flow (gas, water and NAPL) and four PDEs to pollution transport/mass transfer for each compound. MPE Model validation is performed by the verification of different constituent parts separately. The two-phase flow is confirmed by the drainage experiment results of 1D column and of the results of the literature of a 2D Hele-show tank. The importance of the choice of boundary conditions is highlighted. The part of the three-phase flow is verified through the results of infiltration experiments on 2D tank, one conducted in the laboratory and the other of the literature. The study focuses on the effect of the choice of laboratory experiments dimensions on the extrapolation of results across the field. The transport/mass transfer part is verified by SVE/Venting experiments. The transfer coefficient is determined with a precision better than models from the literature. Finally a simulation at the field scale is carried out with the MPE model to simulate the remediation of polluted sites by MPE for a supposed scenario. The limitations of the method for remedying the capillary fringe are highlighted.

La pollution atmosphérique liée aux aérosols organiques secondaire (SOA) représente un des enjeux majeurs du XXIème siècle. La photochimie multiphasique des SOA constitue le coeur et l'originalité de cette thèse.Le réacteur photochimique permet de simuler en laboratoire, l'oxydation en phase aqueuse atmosphérique des composés organiques volatils biogéniques (BVOC), et notamment, la méthyl vinyl cétone (MVK), afin d'étudier la formation ces SOA.Nous étudions la réactivité de la MVK en présence de ●OH et sa capacité à oligomériser en fonction des concentrations initiales de MVK, d'oxygène, et de ●OH. Une large stratégie analytique basée sur la chromatographie liquide couplée à la spectrométrie de masse (MS) permet d'identifier des produits de réaction, et d'établir un mécanisme réactionnel, expliquant la formation des oligomères, leurs rendements et leur vieillissement.Les données colligées servent d'entrées à un modèle de boîte multiphasique, afin d'explorer la sensibilité de l'oligomérisation aux conditions atmosphériques.Ensuite, nous comparons la réactivité de la MVK en présence de ●OH à celle induite par la photolyse de l'acide pyruvique; puis nous mesurons la tension de surface engendrée par ces deux systèmes d'oligomères. Enfin, la mobilité ionique couplée à la MS permet d'observer la co-oligomérisation d'une gamme étendue de BVOC en présence de ●OH.L'oligomérisation atmosphérique implique (i) une concentration minimale de précurseurs pouvant être atteinte dans les aérosols humides via la co-oligomérisation; (ii) une réactivité en compétition avec l'oxygène dissous dans la phase aqueuse, et dont la pertinence atmosphérique reste à explorer. / Air pollution caused by secondary organic aerosol (SOA) is one of the major challenges of this century. We focus this thesis on SOA , through an innovative approach, i.e. multiphase photochemistry.The photochemical reactor allows to simulate in laboratory, the atmospheric aqueous phase oxidation of biogenic volatile organic compounds (BVOC) and in particular, methyl vinyl ketone (MVK), and thus, to study SOA.We study the reactivity of MVK in the presence of ●OH and its ability to oligomerize under various initial concentrations of oxygen, MVK and ●OH. A wide analytical strategy based on liquid chromatography-mass spectrometry is used to identify the reaction products, and establish a chemical mechanism. We focus on these oligomers systems, formation, yield and aging. Collected data are used as inputs to a multiphase box model to explore the sensitivity of oligomerization to the variations of physical and chemical atmospheric parameters. The photochemistry of pyruvic acid generates radical chemistry and initiates MVK oligomerization. We closely compare this reaction to MVK ●OH oxidation. Then, we measure the surface activity of both systems. The ability of oligomers to partition to the interface could affect the climate. Finally, we used ion mobility - mass spectrometry to observe ●OH co-oligomerization of a mixture of organic compounds most representative of the atmosphere.Atmospheric oligomerization implies (i) a minimal concentration of precursors that could be reached in wet aerosol via the co-oligomerization; (ii) a reactivity in competition with the addition of the dissolved oxygen, whose the atmospheric relevance remains to be explored.

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.