Orientador: Kamal Abdel Radi Ismail / Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Mecanica / Made available in DSpace on 2018-08-09T04:28:28Z (GMT). No. of bitstreams: 1 GonzalezBejarano_MarioElias_M.pdf: 3100005 bytes, checksum: 12668e0ddb58dbc3a200122e0c40da4b (MD5) Previous issue date: 2006 / Resumo: No presente trabalho estuda-se o fenômeno de mudança de fase de um PCM em placas paralelas que compõe um banco de gelo. Parâmetros importantes como o espaçamento entre as placas, a temperatura da placa, a temperatura do fluido de trabalho e a vazão, são considerados numa faixa variável. Desenvolveu-se um modelo numérico para simular o processo de solidificação com o objetivo de determinar a posição da frente de solidificação e a distribuição de temperaturas na fase sólida, além de avaliar a influência dos parâmetros considerados. As equações governantes, considerando transferência de calor unidimensional, foram discretizadas utilizando o método de diferenças finitas e o esquema modificado de espaço de tempo variável (MVTS) para a resolução da malha computacional. Considera-se a temperatura inicial do PCM igual à da solidificação e com propriedades constantes. A modelagem da solidificação foi feita para os casos de temperatura da superfície da placa constante e variável. Para validar o modelo numérico, foi construída uma bancada experimental onde foram feitos diversos testes com os parâmetros mencionados anteriormente. Os resultados numéricos obtidos foram analisados e comparados. Estes mostraram concordância satisfatória com os resultados experimentais para a modelagem realizada com temperatura da placa variável. Os resultados deste trabalho podem ser utilizados para o projeto de armazenadores de calor latente em geometrias planas / Abstract: In the present work, the phase change phenomenon of a PCM in parallel plates that compose an ice bank is studied. Important parameters such as the gap between the plates, the plate temperature, the temperature and flow of the secondary fluid are considered. A numerical model was developed to simulate the solidification process with the aim of determine the position of the solidification front and the temperatures distribution at the solid phase, moreover, to evaluate the influence of the considered parameters. The governing equations, considering one-dimensional heat transfer, had been discretized using the finite differences method and the modified variable time steps scheme (MVTS) to resolve the computational mesh. The PCM was considered initially at solidification temperature and with constant thermal properties. The solidification model was made for the cases of constant plate temperature and variable temperature. To validate the numerical model, an experimental device was constructed where many tests were carried through with the mentioned parameters. The numerical results were analyzed and compared. These ones show satisfactory agreement with the experimental results for the modeling carried through with variable plate temperature. The results of this work can be used for the project of latent heat storage systems with plain geometries / Mestrado / Engenharia Termica e Fluidos / Mestre em Engenharia Mecânica

A demanda alimentar vem aumentando de acordo com o crescimento populacional e com isso há uma necessidade de que as práticas agrícolas tornem-se cada vez mais intensas e tecnificadas, mediante o incremento, entre outros, da utilização de insumos químicos. Porém, uma vez aplicados de maneira desorganizada, sem a devida preocupação com os possíveis impactos aos recursos naturais, tais produtos podem vir a provocar danos ao solo, contaminação de águas subterrâneas (mediante sua lixiviação) e em alguns casos, podem ser responsáveis pelo aumento da salinidade em alguns solos da região do semiárido do nordeste brasileiro. Nesse sentido, devido ao fato de envolverem processos físicos na natureza, o estudo da dinâmica desses produtos químicos têm motivado diversos pesquisadores a aplicarem ferramentas matemáticas (modelos matemáticos) na área de engenharia de água e solo, buscando entender a correlação entre a dinâmica da água e o movimento de solutos no perfil do solo. Portanto, a presente pesquisa tem como objetivo a aplicação do modelo matemático HYDRUS-1D para a simulação do movimento da água e do íon potássio, em condições de laboratório, utilizando-se colunas preenchidas com dois tipos de material de solos salinos e não saturados: Argissolo Amarelo (S1) e Latossolo Vermelho Amarelo (S2). Além disso, buscou-se também avaliar tanto o desempenho do referido modelo, em condições salinas, quanto proceder a uma análise de sensibilidade. Para alcançar tais objetivos, foram conduzidas as seguintes etapas: 1) elaboração de curvas de distribuição de efluentes (Breakthrough Curves - BTC) para obtenção dos parâmetros de transporte do íon potássio, com a aplicação de soluções de 1000 ppm, 2000 ppm e 3000 ppm de concentração de potássio, nos dois tipos de solos salinos, 2) Aplicação dessas soluções de potássio na coluna preenchida com o mesmo material de solo salino não saturado, 3) Simulação dos perfis de água e potássio para os diferentes materiais de solo salino pelo modelo HYDRUS-1D e 4) Avaliação de desempenho e análise de sensibilidade do modelo HYDRUS-1D. A avaliação de desempenho foi feita levando-se em conta os seguintes índices estatísticos: erro máximo, erro absoluto médio, raiz quadrada do erro médio normalizado, coeficiente de massa residual, coeficiente de determinação, eficiência e índice de concordância de Willmott e a análise de sensibilidade foi feita mediante a determinação do erro padrão, por meio de variações positivas (+ 10%, + 20%, + 30%, + 40%, + 50%) e negativas (- 10%, - 20%, - 10%, - 40%, - 50%), dos valores de: umidade volumétrica do solo saturado, condutividade hidráulica e os parâmetros n e ? do modelo de van Genuchten (1980). Diante dos resultados obtidos, pôde-se perceber que os procedimentos experimentais (BTC\'s) para a estimativa dos parâmetros de transporte do íon potássio em condições de solo salino, foram suficientes para descrever a movimentação do íon potássio no solo, gerando informações de entrada precisas para os modelos de simulação. Em termos do modelo HYDRUS-1D, observou-se que o deslocamento do íon potássio acompanhou a frente de molhamento e que o modelo foi eficiente nas simulações de deslocamento do íon potássio e da água para ambos os solos, em condições salinas. A análise de sensibilidade evidenciou que o modelo apresentou-se sensível, às variações negativas dos dados de entrada: umidade volumétrica do solo saturado, condutividade hidráulica do solo saturado e parâmetros \"n\" e \"?\" do modelo de van Genuchten (1980). / The increased demand for food due to population growth requires that agricultural practices become increasingly intensive and very technical, including the increased use of agricultural chemicals (fertilizers). If improperly applied without considering possible impacts on natural resources, agricultural chemicals may lead to soil and groundwater contamination through their leaching from the soil root zone. They may be responsible also for increased salinity in some soils of semiarid regions in northeastern Brazil. Since many transient physical and chemical processes affect their transport in the subsurface, mathematical models have become popular tools in soil and water engineering and management in order to understand the correlation between water dynamics and solute movement in soils. Thus, this research aimed at using the HYDRUS-1D software package to simulate water and potassium movement, under laboratory conditions, in unsaturated saline soil columns filled with two soil types: an Ultisol (S1) and an Oxisol (S2). Comparisons were made with experimental data while also a sensitivity analysis was carried out to evaluate the effect of various parameters on solute transport under saline conditions. For this purpose the following studies were performed: 1) Measurement of solute breakthrough curves (BTCs) to estimate the transport parameters of the potassium ion by applying potassium solutions of 1,000 ppm, 2,000 ppm and 3,000 ppm to both soil types, 2) Application of similar potassium solutions to columns containing the same saline unsaturated soils, 3) Simulation of water and potassium distributions for different saline soil materials using HYDRUS-1D, and 4) Performance evaluation and sensitivity analyses of the HYDRUS-1D numerical model. The performance evaluation was conducted using the following statistical indices: maximum error, mean absolute error, normalized root mean square error, coefficient of residual mass, coefficient of determination, efficiency and Willmott\'s concordance index. The sensitivity analyses considered standard deviations resulting from positive and negative changes (+ 10% + 20% + 30% + 40% + 50%) (-10%, -20%, -10%, -40%, -50%) in the values of the saturated volumetric soil moisture content, the saturated hydraulic conductivity, and the parameters n and ? of van Genuchten\'s (1980) model for the unsaturated soil hydraulic functions. Results indicate that the experimental procedures (BTCs) for estimating the transport parameters of potassium for saline soil conditions were sufficient to describe potassium ion transport in the soils by generating the required input information for the simulation models. Relative to HYDRUS-1D model, the displacement of potassium was found to follow closely the wetting front, with the model providing a very efficient means for simulating the movement of both water and potassium in the two soils during saline conditions. The sensitivity analysis showed that the model was relatively sensitive to negative variations of the input data, notably the saturated water content, the saturated hydraulic conductivity, and the n and ? soil hydraulic parameters.

Uma climatologia de 21 anos dos Distúrbios Ondulatórios de Leste (DOLs) sobre a região NEB foi realizada com o intuito de obter um melhor entendimento dos processos dinâmicos e sinóticos do ciclo de vida destes sistemas, incluindo gênese, crescimento/decaimento, trajetória e dissipação. Adicionalmente, foi avaliada a eficiência do modelo de mesoescala WRF em simular este tipo de sistema. A identificação dos DOLs foi obtida de forma subjetiva através de imagens de satélite no canal infravermelho e campos de linhas de corrente e vorticidade relativa nos níveis de 1000, 850, 700, 500 e 200 hPa da reanálise do ERA-Interim. Neste período foram identificados 518 eventos de DOLs, onde 97% (3%) dessas ondas atingiram (não atingiram) a região do NEB, 64% (36%) foram convectivas (não convectivas) e 14% (86%) atingiram a região da Amazônia. Os principais sistemas que deram origem aos DOLs foram: Zona de Convergência Intertropical (ZCIT), Vórtice Ciclônico de Altos Níveis (VCAN), Frentes Frias (FF) e conglomerados convectivos provenientes da costa oeste da África (AF). Além destes, a interação entre os sistemas AF/FF, AF/ZCIT, AF/VCAN e ZCIT/FF estiveram associadas a sua formação. Em média, foram observadas aproximadamente 25 ondas por ano, com máxima (mínima) frequência compreendida entre os meses de Março a Agosto (Setembro a Fevereiro) e, com pronunciada variabilidade interanual. O ciclo de vida dos DOLs foi avaliado de forma objetiva a partir de um método automático de identificação e rastreio (TracKH), onde dos 518 eventos identificados na análise subjetiva, conseguiu capturar 342 ondas ( ~ 66%). A partir desta detecção, uma análise foi feita no nível 850 hPa para determinar as características típicas do seu ciclo de vida, que mostra um pico proeminente entre as longitudes de 35°W e 15°W e latitudes de 20°S e 5°N associado a densidade de gênese. A trajetória e dissipação se concentraram sobre a costa leste do NEB, entre os estados de Alagoas e Rio Grande do Norte, porém a dissipação diminuía a medida que adentrava ao continente. Os padrões sinóticos associados aos DOLs foram analisados através da anomalia de composição durante o período de máxima (úmido) e mínima (seco) frequência desde 3 dias antes até um dia após os DOLs atingirem a costa do NEB. Durante o período úmido, a circulação associada aos DOLs apresentou anomalia ciclônica e confluente, vorticidade negativa e convergência até médios níveis, enquanto que em 200 hPa apresentou apenas a característica do cavado. Por outro lado, para o período seco, estas características foram observadas somente em baixos níveis. Anomalias negativas de movimentos verticais e temperatura e positivas de umidade foram observadas associadas aos DOLs nas duas estações, porém atingindo maiores altitudes durante o período seco. A composição de precipitação indicou que os DOLs são responsáveis por um acréscimo de 16% (4%) durante a estação úmida (seca). As características típicas dessas ondas foram: período médio de 8 (73) dias, comprimento de onda de aproximadamente 4500 (5500) km e velocidade de fase da ordem de 6,5 (0,9) m.s-1, para o período úmido (seco). O modelo WRF simulou os padrões sinóticos, a precipitação e as características típicas associadas aos DOLs de forma coerente, sendo comparado aos resultados do Climate Forecast System Reanalysis (CFSR), porém com maior intensidade, para os eventos de 11 e 17 de junho de 2006. / A 21-year climatology of Easterly Wave Disturbances (EWDs) over NEB region was constructed in order to obtain a better understanding of dynamic and synoptic processes life cycle of these systems, including genesis, growth / decay, trajectory and dissipation. Moreover, we evaluated the efficiency of WRF mesoscale model to simulate this type of system. The identification of EWDs was obtained subjectively through satellite images in infrared channel and fields of streamlines and relative vorticity at the levels 1000, 850, 700, 500 and 200 hPa from ERA-Interim reanalysis. During this period, 518 EWDs were identified, where 97% (3%) of these waves hit (not hit) the NEB region, 64% (36%) were convective (non-convective) and 14% (86%) reached the Amazon region. The main systems that gave rise to DOLs were: Intertropical Convergence Zone (ITCZ), Upper-Tropospheric Cyclonic Vortices (UTCV), Cold Fronts (FF) and convective clusters from the west coast of Africa (AF). In addition, the interaction between systems AF/FF, AF/ITCZ, AF/UTCV and ITCZ/FF were associated with their formation. On average, we observed approximately 25 waves per year, with maximum (minimum) frequency between the months of March to August (September to February) and, with pronounced interannual variability. The life cycle of EWDs was evaluated objectively using an automatic method for the identification and tracking (TracKH). From the 518 events identified in the subjective analysis, TracKH was able to capture 342 waves (~ 66%). From this detection, an analysis was made at 850 hPa level to determine the characteristics of their life cycle, which shows a prominent peak around of 35°W-15°W and 20°S-5°N associated with density genesis. The trajectory and dissipation have concentrated over east coast of the NEB, between the states of Alagoas and Rio Grande do Norte, but the dissipation decreased once the systems enter the continent. The synoptic patterns associated with EWDs were analyzed by composing anomaly during the period of maximum (wet) and minimum (dry) frequency from 3 days before until one day after the EWDs reaching the NEB coast. During the wet period, the circulation presented cyclonic and confluent anomaly, negative vorticity and convergence at all levels except at 200 hPa which only showed a trough characteristic while for the dry season, this feature was only observed at low levels. Negative anomalies of vertical movements and temperature and positive humidity associated with EWDs were observed in both seasons, but reaching higher elevations during the dry period. The precipitation composition indicated that the EWDs are responsible for an increase of 16% (4%) during the wet season (dry). Typical characteristics of these waves were: mean period of 8 (73) days, wavelength of about 4500 (5500) km and phase velocity of about 6.5 (0.9) m.s-1 for the wet period (dry). The WRF model simulated the synoptic patterns, precipitation and the typical features associated with EWDs in a coherently manner when compared to the results of the Climate Forecast System Reanalysis (CFSR), but with greater intensity to the events of 11 and 17 June 2006.

L'objectif de cette thèse est de bâtir un modèle prédictif d'une unité industrielle continue de dissolution de minerai de nickel/ et précipitation de fer simultanées. La méthodologie adoptée consiste dans un premier temps à réaliser des expériences en réacteur fermé ou semi-fermé pour identifier et modéliser séparément les différents phénomènes en jeu, puis dans un second temps à construire un modèle d'unité continu les rassemblant tous. Ce travail a permis certaines avancées tant sur le système retenu que sur les méthodes et modèles adoptés. Tout d'abord la thermodynamique des solutions Na-Fe(III)-H2SO4 aux alentours de 100°C a été clarifiée et la constante de solubilité de la natrojarosite Na0,84H0,16Fe2,90(SO4)2(OH)5,7 a été déduite. Ensuite les paramètres influant sur les précipitations des jarosite de sodium et potassium ont été mis en évidence et leur cinétiques de croissance ont pu être déterminées grâce à l'utilisation originale de la méthode des caractéristiques. Puis les cinétiques de dissolution des minerais ont été obtenues, en prenant en compte différentes phases du minerai et leurs granulométries. Après avoir déduit tous les paramètres nécessaires, un modèle original, permettant de simuler une cascade de réacteur de dissolution/précipitation avec recyclage a été construit puis validé. Cet outil de conception, couplé à une étude technico-économique peut permettre d'optimiser le procédé. / The goal of this thesis is to build a predictive model for a continuous industrial unit combining simultaneously nickel ore dissolution and iron precipitation. A two steps method was used. First experiments in batch or semi-batch reactors were done in order to understand and model separately the different phenomenon that take place. Then all the equations and associated constants were used to build a model. This work allowed some advances both on the system studied and on the methods used. First thermodynamics of Na-Fe(III)-H2SO4 solutions in the 70-100°C temperature range was clarified and natrojarosite solubility constant Na0,84H0,16Fe2,90(SO4)2(OH)5,7 was deduced. Secondly parameters acting on sodium and potassium jarosite precipitation were highlighted and their growth kinetics were deduced through an original use of caracterisctics method. Then ore dissolution kinetics were found, taking into account different ores phases and their granulometry. After deducing all the necessary parameters, an original model allowing to simulate a cascade of dissolution/precipitation reactors with recyling loop was build and validated. This conception tool, coupled with a technico-economic study allows the optimisation of such a process.

Cette thèse traite de la morphodynamique pluri-décennale des environnements sableux soumis à l’action combinée des courants de marée et des vagues. Dans ces travaux, une approche de modélisation numérique basée sur les processus hydro-sédimentaires est utilisée, celle-ci étant combinée à des données collectées au sein du laboratoire LIENSs au cours de ces dernières années sur différents sites ateliers (i.e. données bathymétriques, hydrodynamiques, et sismiques). Afin de réaliser des simulations morphodynamiques de ce type d’environnement côtier, deux principaux développements ont été apportés au modèle : (1) la prise en compte de l’hétérogénéité granulométrique du sédiment, et (2) le calcul de l’évolution du fond suivant un schéma numérique basé sur le formalisme WENO et adapté à un maillage de type non-structuré. La première application du système de modélisation a concerné l'évolution rétrospective du banc de sable estuarien de la Longe de Boyard, situé en baie de Marennes-Oléron, sur la période 1960 à 2000. Les résultats de ce travail ont tout d'abord montré qu'en dépit de la morphologie globale du banc indiquant une dominance de la marée, la contribution des vagues était essentielle pour expliquer son évolution pluri-décennale. La rythmicité de l’accrétion sédimentaire observée et simulée dans la partie sud du banc a ensuite pu être analysée d'un point de vue stratigraphique, grâce à la prise en compte de l'hétérogénéité granulométrique du sédiment dans le modèle. Le lien entre la rythmicité des variations granulométriques du sédiment dans cette zone et la saisonnalité du climat de vagues a ainsi été mis en évidence. La seconde application du système de modélisation a concerné l’évolution de la flèche sableuse d'Arçay, située sur le littoral vendéen. Les résultats de simulation morphodynamique suggèrent que l’évolution de cette flèche, principalement contrôlée par les vagues, présente un comportement combinant allo-cyclicité et auto-cyclicité. / This work considers the pluri-decadal morphodynamic modeling of sandy coastal environments subjected to tides and waves. A process-based numerical model is used, together with a collection of field data from the LIENSs laboratory (i.e. bathymetric, hydrodynamic, and seismic data). To simulate the morphodynamic of these environments, two main numerical developments have been added to the model : (1) the sediment heterogeneity, and (2) the bed evolution computation following a WENO-based scheme adapted to unstructured grids. The first model application concerns the 40-year hindcast (period 1960 to 2000) of a wide estuary mouth sandbank located in the Marennes-Oléron bay : the Longe de Boyard sandbank. Numerical results suggest that this sandbank long-term evolution is strongly controlled by waves, in spite of its global tide-dominated morphology. Rhythmic nature of sediment accretion, which is observed and modeled in the south part of the bank, was then analyzed from a stratigraphic point of view thanks to the integration of sediment heterogeneity into the model. Grain size rhythmic variations in this area appeared to be related to local wave climate seasonality. The second model application considers the Arçay sandspit evolution (Vendée coast). Morphodynamic results suggest that this sandspit evolution, mainly controlled by waves, is characterized by a combination of both autogenic and external-influenced behaviors.

This focuses on hydrological transport in shallow catchments with topography-driven flow paths. The thesis gives new insight to kinematic pathway models for estimation of tracer discharge at the catchment outlet. A semi-analytical methodology is presented for transient travel time and age distributions referred to as "kinematic pathway approach“(KPA) that accounts for dispersion at two levels of morphological and macro-dispersion. Macro-dispersion and morphological dispersion components are reflected in KPA by assuming an effective Péclet number and topographically driven pathway length distributions, respectively. The kinematic measure of the transport, defined as a characteristic velocity of water flow through the catchment is obtained from the overall water balance in the catchment. To include transformation process in its simplest form of linear decay/degradation a framework is presented that solves one-dimensional reactive transport with numerically simulated travel times as the independent variable. The proposed KPA and coupled transport framework for quantifying tracer discharge at the shallow catchment outlet are applied to two selected catchments in Sweden. KPA is applied to modeling of a 23-year long chloride data series for the Kringlan catchment whereas the implantation of the framework for quantifying natural attenuation is illustrated for the Forsmark catchment. Numerical simulations of Forsmark catchment advective travel times are obtained by means of particle tracking using the fully-integrated flow model MIKE SHE. The KPA is found to provide reasonable estimates of tracer discharge distribution when considering the transport controlled by hillslope processes associated with short topographically driven flow paths to adjacent discharge zones, e.g. rivers and lakes. Simulated natural attenuation for Forsmark is also estimated well provided that the pathway length distribution is skewed toward short pathway lengths. This fact is indicative of the controlling impact of topography on flow path length and travel time distributions in shallow catchments. Our work has shown that the pathway (Lagrangian) methodologies are promising as predictive tools for hydrological transport. / <p>QC 20170928</p>

Abstract In the design and development of unit operations in chemical engineering, experimental testing is often very expensive or even impossible to perform. In these kinds of situations, numerical simulations offer a good approach to study process characteristics. Typically in chemical engineering, data-based modeling is applied to study the process. This requires many experiments for tuning the model parameters and validating the model. In a phenomenology-based approach, the evolution of the system is dictated by fluid and particle transport equations. These equations are independent of the process, and can therefore be applied in various systems. However, depending on the system, there are several aspects that have to be taken into account in order to choose the correct model for the problem in hand. In this work, computational fluid dynamics (CFD) and discrete element method (DEM) modeling have been applied in different unit operations in the field of chemical engineering. CFD was applied in preventing sedimentation in a tube heat exchanger, estimating the cooling efficiency of a vertical water jet onto a hot metal plate, and studying the formation of the slag free open-eye area on the steel ladle. For comparison, DEM was applied in the continuous high-shear granulation of pharmaceutical powder. The different models used in this work are reviewed, and the results are presented from the point of view of model and process development. The grid aspects in CFD simulations and the termination criteria for DEM and CFD simulations are also studied. Based on the results of this work, phenomenological modeling can be considered to be an efficient tool for unit operation design. Together with experimental work, different modeling strategies offer a powerful tool for the design and development of unit operations. / Tiivistelmä Kemiantekniikan yksikköprosessien suunnittelussa kokeellinen tutkimus on usein erittäin kallista ja joskus jopa mahdotonta toteuttaa. Tällöin mallinnus tarjoaa hyvän lähestymistavan yksikköprosessin ominaisuuksien tutkimiselle. Tyypillisesti kemianteollisuudessa, datapohjaista mallinnusmenetelmiä on käytetty systeemin ominaisuuksien tutkimiseksi. Tämä menetelmä vaatii kuitenkin paljon koetoistoja mallin parametrien virittämiseksi ja mallin validoimiseksi. Ilmiöpohjaisessa mallinnuksessa, systeemin aikakehitys määräytyy fluidi- ja partikkelivirtauksia määräävien kuljetusyhtälöiden perusteella. Nämä yhtälöt ovat prosessista riippumattomia, jolloin niitä voidaan soveltaa yleisesti mihin tahansa systeemiin. Riippuen kuitenkin tutkittavasta yksikköprosessista, eri asioita on otettava huomioon, jotta oikea malli voidaan valita kuvaamaan systeemiä. Tässä työssä virtauslaskentaa (computational fluid dynamics, CFD) ja partikkelimenetelmää (discrete element method, DEM) on käytetty erilaisten kemiantekniikan yksikköprosessien tutkimuksessa. CFD:n avulla on tutkittu putkilämmönvaihtimen sedimentaation ehkäisyä, laminaarisen suorasuihkujäähdytyksen tehokkuutta teräslevyn jäähdytyksessä, sekä senkkaprosessissa teräksen pinnalle ilmestyvän kuonasilmäkkeen muodostumista. DEM mallinnusta käytettiin lääkejauheen jatkuvatoimisen rakeistuksen tutkimuksessa. Mallinnuksessa käytetyt mallit esitellään ja niiden tulokset esitellään malli- ja prosessikehityksen näkökulmasta. Työssä on otettu myös esille mallinnustekniset asiat CFD:n vaatiman laskentahilan ja laskennan lopetuskriteerien näkökulmasta. Työssä esitettyjen tulosten perusteella voidaan todeta, että ilmiöpohjainen mallinnus on tehokas työkalu yksikköprosessien suunnittelussa. Yhdessä kokeellisen tutkimuksen kanssa, eri mallinnusmenetelmät tehostavat yksikköprosessien suunnittelua ja kehitystä.

Dans les chaînes de montagnes, les séismes de magnitudes intermédiaires à fortes (Mw>6) déclenchent systématiquement un grand nombre de glissements de terrain responsables de l'introduction de volumes massifs de sédiments dans le réseau fluviatile. L'évacuation progressive de ces sédiments hors de la zone épicentrale affecte la dynamique des rivières et provoque des aléas hydro-sédimentaires dans les plaines alluviales (avulsion des rivières, crues...). La quantification des transferts sédimentaires est essentielle pour mieux comprendre l'évolution des paysages à court et moyen terme (de l'heure au siècle) et permettre une gestion efficace des risques dans les zones d'accumulation. Cependant, les flux de sédiments grossiers étant difficiles à mesurer, les facteurs contrôlant l'évacuation des glissements de terrain restent à ce jour mal compris. Cette thèse a donc porté sur l'étude, via la modélisation, des paramètres influençant la mobilisation des glissements de terrain, la préservation de la capacité de transport la transition entre gorge et plaine alluviale et la dynamique court terme des cônes alluviaux soumis à de forts apports sédimentaires. Les approches développées sont appliquées au contexte de la côte Ouest de la Nouvelle Zélande où la probabilité d'occurrence d'un séisme de magnitude 8 est de 50% dans les 50 ans à venir. Cette problématique à été abordée analytiquement et via une approche numérique avec le modèle 2D d'évolution des paysages et des rivières, Eros. Avec l'approche analytique, nous démontrons que la conservation de la capacité de transport long terme à la transition entre gorges et plaines alluviales est généralement réalisée par le passage à un système en tresse. Nous identifions aussi la variabilité des débits comme facteur dominant de la capacité de transport long terme comparé à l'effet de la végétation riparienne. Avec l'approche numérique, nous utilisons Eros qui est composé 1. d'un modèle hydrodynamique 2D, 2. d'un modèle de transport/dépôt de sédiments et 3. de modèles gérant les flux latéraux d'érosion et de dépôt. La combinaison de ces éléments permet l'émergence de diverses géométries de rivières alluviales (droites/sinueuses ou en tresses) en fonction des forçages externes qu'elles subissent (débit d'eau, flux sédimentaires). L'application d'Eros à des cas naturels a nécessité la validation et la calibration de ses paramètres principaux à l'aide: 1. de solutions analytiques et 2. de la reproduction morphodynamique de systèmes naturels, tel que l'évolution de la rivière Poerua en Nouvelle Zélande suite au glissement de terrain du Mont Adams. Dans la partie aval du bassin, les simulations numériques démontrent les capacités du modèle 1) à prédire efficacement l'évolution de plaines alluviales soumises à plusieurs scénario d'apports sédimentaires massifs et 2) à générer des cartes de risques probabilistes. Dans la partie amont du bassin, les résultats mettent en évidence le rôle clef de la réduction dynamique de largeur des rivières par rapport à la largeur de la gorge fluviatile, sur l'accélération de l'évacuation des sédiments issus des glissements de terrain. Une loi unique caractérisant les temps d'export d'une distribution de glissements de terrain peut être définie en fonction du rapport entre volume de sédiment et capacité de transport initiale de la rivière, permettant ainsi d'estimer leur temps de résidence moyen à 5-30 ans pour un scénario de séisme de Mw=8 beaucoup plus faibles que ceux estimés précédemment (~100 ans). L'approche numérique développée dans ce travail suggère que l'étude de la réponse des chaînes de montagnes à un forçage sismique fort ne peut être effectuée efficacement qu'avec un modèle 2D capable de prendre en compte les non-linéarités entre écoulements des rivières, leurs géométries et le transport sédimentaire. Les résultats obtenus permettent une meilleure caractérisation de la dynamique des paysages à l'échelle du cycle sismique et des aléas à court terme. / In mountainous areas, intermediate to large earthquakes (Mw > 6) systematically trigger a large number of landslides supplying the fluvial network with massive volumes of sediment. The progressive evacuation of the sediment out of the epicentral area alters river dynamics and may cause hydro-sedimentary hazards in alluvial plains (river avulsion, inundations, bank erosion, ...). The quantification of sediment transfers is critical to better understand landscape evolution on short timescales (i.e. hours to centuries) and improve hazard management in deposition areas. However, the factors controlling the coarse sediment transfers are still poorly known due to a lack of field measurements and adequate numerical models. The aim of this work is thus to study, via numerical modeling, the parameters influencing landslides evacuation, the transport capacity variations at the gorge/alluvial plain transition and the short-term dynamics and hazards of alluvial fans. This work is set up in the context of the West Coast of New Zealand (NZ) which presents a 50% probability to experience a magnitude 8 earthquake in the next 50 years. This problematic has been addressed analytically and via a numerical approach. Using the analytical approach, we demonstrate that the conservation of long-term transport capacity at the bedrock gorge and alluvial plain transition usually implies the channel narrowing in the alluvial part that is generally realized by a transition to a braided system. We identify discharge variability as the dominant factor of alluvial river long term transport capacity compared to riparian vegetation. To explore the role of channel self-organization on coarse sediment transport, we use Eros, a 2D morphodynamic model able to simulate landscape evolution improved by a new 2D hydrodynamic model. Combined with a sediment transport/deposition model and lateral fluxes modeling (bank erosion and transverse deposition), Eros allows for the emergence of diverse alluvial river regimes and geometries (e.g. straight/sinuous and braided channels) as a function of the external forcing experienced by the river (water and sediment fluxes). The application of Eros on natural cases has required the validation and calibration of its principal parameters using analytical solutions and the morphodynamic reproduction of natural systems such as the evolution of the Poerua river in New Zealand following the Mount Adams landslide. In the downstream part of the catchment, the ensemble numerical simulations demonstrate Eros abilities to 1) efficiently predict the morphodynamic evolution of alluvial fans submitted to different scenarios of large sediment supplies and 2) generate probabilistic risk maps. In the upstream part, the results highlight the dominant role of dynamic river narrowing reducing export times of landslide-derived sediments. We define a new law characterizing export times as a function of landslide volume and pre-landslide transport capacity that predicts mean residence times for a M8 earthquake in a mountain range of 5-30 yr, much lower than previous estimations of ~ 100 yr. The numerical approach developed in this work suggests that the study of mountain ranges response to severe landslide disruption can only be addressed with a 2D model able to account for the non-linearities between river flow, channel geometry and sediment transport. The results allow for a better characterization of landscape dynamics at the scale of a seismic cycle and hydro-sedimentary hazards in the short term.

Dans cette thèse, nous avons développé un code de simulation numérique directe pour l’étude des écoulements particulaires. Le schéma numérique est basé sur une technique de domaines fictifs. Le code est validé sur de nombreux cas test puis nous l’avons utilisé pour étudier la sédimentation de particules bidimensionnelles en milieu confiné. Trois cas ont été analysés : sédimentation d’une particule unique, d’un doublet de particules et d’un grand nombre de particules. Dans le premier cas nous retrouvons le phénomène de survitesse qui apparaît pour une particule excentrée à bas nombre de Reynolds. Nous montrons que cette survitesse est très sensible à l’inertie du fluide : elle diminue lorsqu’on augmente le nombre de Reynolds. Cet effet est retardé par le confinement. Dans le cas d’un doublet de particules, nous retrouvons les comportements complexes observés dans la littérature (hystérésis, cascade sous-harmonique et chaos). Nous montrons qu’une nouvelle série de bifurcations et un nouvel attracteur apparaissent pour des particules plus pesantes. Il s’agit là d’une transition vers le chaos par la voie de la quasi-périodicité. Nous donnons le diagramme de bifurcation étendu. La nouvelle branche correspond à une structure horizontale qui conduit à une sédimentation lente. Dans le cas d’un grand nombre de particules, nous montrons que la vitesse de chute de l’interface fluide-particules suit une loi de type Richardson-Zaki, mais avec un exposant d’environ 4. Comme pour des sphères, la valeur de cet exposant dépend du confinement. Enfin, nous observons un phénomène de blocage, inattendu pour des particules non-cohésives, dû au caractère bidimensionnel de la suspension / In the present thesis, a fully-resolved numerical code has been developed for the analysis of particle-laden flows. A fictitious domain method is used. First, this numerical tool has been validated by using classical benchmarks. It has then been used to simulate the complex sedimentation of particles in three generic two-dimensional configurations: a single particle, a particle pair and a large number of particles in a confined domain. In the first case, the peak-velocity of an off-centred inclusion is recovered at low-Reynolds number. It is shown that this peak-velocity is very sensitive to fluid inertia: the peak-velocity decreases when the Reynolds number increases. This effect is delayed by the confinement. The very complex dynamics of a pair of particles sedimenting in a confined domain, observed in the litterature, is recovered (hysteresis, period-doubling cascade and chaos). It is shown that a new series of bifurcations, leading to a new attractor, emerges when the non-dimensional particle weight is increased. This new transition corresponds to a quasi-periodic route. The extended bifurcation diagram is given. The new branch discovered in this work corresponds to a nearly horizontal particle doublet, with a slow settling velocity. In the case of the settling of large number of particles, a RZ-like law is recovered for the sedimentation velocity of the fluid-particle interface. The exponent is close to 4, in contrast with the case of spheres. Finally, the sedimentation velocity at the end of the settling process is observed to be significantly reduced, like for cohesive sediments. This unexpected behaviour is related to the two-dimensionality of the suspension

The geological repository for final storage of spent nuclear fuel, envisioned by the Swedish Nuclear Fuel and Management Company (SKB), relies on several barriers: copper canisters deposited in holes in the floor of underground tunnels in deep bedrock, embedded in a buffer of compacted bentonite. The initially unsaturated buffer would take up water from the surrounding rock mass and swell to seal any potential gap. This initial two-phase (gas and liquid) regime with two components (air and water) may impact the final density, swelling pressure and biogeochemical conditions in the buffer. A main objective of this work is to identify factors and mechanisms that govern deposition hole inflow and bentonite wetting under the prevailing two-phase flow conditions in sparsely fractured bedrock. For this purpose, we use the numerical code TOUGH2 to perform two-phase flow simulations, conditioned by a companion field experiment (the Bentonite Rock Interaction Experiment or BRIE) performed in a 417 m deep tunnel of the Äspö Hard Rock Laboratory in southeastern Sweden. The models predict a significant de-saturation of the rock wall, which was confirmed by field data. To predict the early buffer wetting rates and patterns, the position of local flowing fractures and estimates of local rock matrix permeability appear more important than the total open hole groundwater inflow. A global sensitivity analysis showed that the buffer wetting time and the persistence of unsaturated conditions over extended periods of time in the rock depend primarily on the local fracture positions, rock matrix permeability, ventilation conditions in the tunnel and pressure far in the rock. Dismantling photographs from BRIE were used to reconstruct a fine-scale snapshot of saturation at the bentonite/rock interface, showing tremendous spatial variability. The high level of heterogeneity in the rock generates complex two-phase flow phenomena (air trapping, dissolution), which need to be accounted for in buffer design and rock suitability criteria. In particular, results suggest that uncertainties regarding two-phase flow behavior are relatively high close to residual air saturation, which may also have important implications for other applications involving two-phase flows, such as geological storage of carbon dioxide. / <p>At the time of the doctoral defense, the following papers were unpublished and had a status as follows: Paper 1: Manuscript. Paper 4: Manuscript.</p>