[pt] Este trabalho tem por objetivo o desenvolvimento de uma ferramenta numérica para avaliação do fluxo saturado-não saturado em encostas de grandes dimensões, com aplicação na análise de estabilidade dessas áreas. Emprega-se o método dos elementos finitos na solução da equação de Richards, considerando a carga de pressão como variável primária e utilizando formulação adequada para minimização dos problemas de conservação de massa, freqüentemente, associados a esse fato. O modelo constitutivo utilizado para a curva característica e função de condutividade hidráulica é o proposto por Van Genuchten (1980). Para solução da não-linearidade, emprega-se um método quasi- Newton (BFGS). Com o objetivo de minimizar os requisitos de memória computacional, utiliza-se esquema de armazenamento de matriz esparsa, associado ao método de gradiente biconjugado, na solução do sistema de equações. Paralelamente, é apresentado algoritmo de geração de malha tridimensional de elementos finitos, a partir de uma malha superficial de triângulos, representativa da topografia. Análises numéricas são executadas com a finalidade de validação do código gerado, comparando-se os resultados obtidos com aqueles gerados por outros programas já consagrados na literatura técnica. É proposta metodologia para geração de mapas de susceptibilidade a escorregamentos translacionais rasos, empregando-se o método do talude infinito, associado à estrutura da malha de elementos finitos e aos resultados do problema de fluxo, incorporando- se, assim, o efeito do estado de não saturação na resistência do material. / [en] The aim of this work is to develop a numerical tool for the analysis of saturated-unsaturated flow in large scale natural slopes, applied to the study of the stability of these areas. The finite element method is applied to solve the Richard`s equation, taking into account the pressure head as the primary variable and using an adequate formulation to minimize the mass conservation issues. The constitutive model used to the characteristic curve and hydraulic constitutive function is the one presented by van Genuchten (1980). A quasi-Newton method (BFGS) is applied for the solution of the non-linearity. A sparse matrix storage scheme, with the objective of reducing the computational memory requirements, is associated to the bi- conjugated gradient method for the solution of the system of equations. An algorithm of finite elements mesh is presented, which generates the 3D mesh from a triangle superficial mesh representing the relief. Numerical analyses are performed in order to validate the code, by comparing the results with those generated by others widely known codes presented in the technical literature. A methodology for the generation of susceptibility maps to shallow translational landslides is delineated, which employs the infinite slope method to the finite elements mesh structure and the flow problem results, considering the effect of the unsaturated state in the material strength.

[pt] O estudo de fluxo saturado - não saturado em solos exige o conhecimento das funções de relação, como a curva característica (q x h) e a curva de condutividade hidráulica (K x h). Para determinar estas relações o presente trabalho utiliza o modelo de van Genuchten- Mualem, o qual está implementado numa ferramenta numérica que permite a utilização da retroanálise como método para determinação dos parâmetros do modelo. O principal objetivo deste trabalho é a avaliação de um método que permita a estimativa dos parâmetros do modelo de van Genuchten-Mualem, a partir de dados coletados em campo ou laboratório para, então, realizar-se a análise de fluxo saturado - não saturado e a estimativa dos parametros de van Genuchtem-Mualem. Finalmente, a as condições de fluxo saturado - não saturado em duas encostas foram simuladas, em duas e três dimensões, a fim de verificar a variação de fluxo nestes casos. / [en] The study of saturated and non saturated flow in soils requires the knowledge of relation functions, as water retention curve (q vs. h) and hydraulic conductivity curve (K vs. h).In order to determine these relations, this research uses van Genuchten-Mualem`s model, which is implemented on a numerical based method. This tool allows the inverse solution as a method to determine the parameters of the model. The main objective of this research is the evaluation of a method which allows the estimative of the required parameters by the chosen model, determined based on field or laboratory data, so then, based on these parameters, saturated and non- saturated flow analysis were carried out and the estimative of parameters of van Genuchten-Mualem`s model. Finally, saturated and non-saturated simulations were made on two slopes. These simulations were followed by 2D and 3D models, in order to verify the flow variation on these cases.

[pt] A avaliação do potencial de contaminação de capatações de água, por causa das águas residuais provenientes dos sistemas de tanque séptico, é feita a partir da definição da distância de separação mínima que deve existir entre a captação e o local de infiltração do efluente. A determinação dessa distância define a zona de proteção da captação. Existem três metodologias para definir o tamanho dessa zona de proteção: metodologias baseadas em distâncias fixas e tempos de trânsito, metodologias baseadas na vulnerabilidade e metodologias baseadas no risco de infecção. No caso da Costa Rica, as avaliações são feitas através do uso da metodologia baseada no tempo de trânsito. O tempo de trânsito empregado corresponde ao tempo de sobrevivência dos vírus. Nesta análise determina-se a distância máxima percorrida pelos vírus durante esse tempo, e essa distância define a separação mínima. Esse método considera que o transporte ocorre por percolação vertical saturada através da zona não saturada, e por transporte ao longo da interface água-ar na zona saturada segundo o gradiente natural. Neste trabalho apresenta-se um novo procedimento, baseado no risco de infecção, para a determinação da distância de separação considerando os efeitos da saturação variável e o fraturamento. Este procedimento determina a distância máxima percorrida, a partir do cálculo das concentrações de vírus. A distância de separação mínima corresponde à distância entre a fonte de injeção e o ponto aonde a concentração atinge o valor máximo de concentração permitida. Para o desenvolvimento deste novo procedimento foi implementado um código de programação que inclui: fluxo saturado-não saturado e transporte explícito nos poros e nas fraturas, advecção, dispersão, decaimento, sorção na superfície dos sólidos, sorção nas interfaces água-ar e água-sólido, filtração mecânica e exclusão de poros. Foi realizada uma análise comparativa entre as metodologias acima descritas para três geometrias tipo representativas das condições estratigráficas de algumas áreas do Vale Central da Costa Rica. Os resultados obtidos indicaram que a metodologia normalmente empregada na Costa Rica pode ser inadequada para prever na maioria dos casos a possibilidade de contaminação. / [en] Setback distances of wellhead and catchments from septic tanks are establised by three aproaches: methods based on fixed setback distances or fixed travel times; methods based on vulnerability analysis and methods based on infection risk. In Costa Rica, the determination of setback distances is based on fixed travel times. This approach considers that during and specified travel time all microorganisms will be inactivated, and that the distance traveled during this time defines the minimum safe separation. In this approach a unitary hydraulic gradient and saturated hydraulic conductivity are considered for transport in the unsaturated zone and the natural hydraulic gradient and saturated conductivity for transport in the saturated zone. Only advection is considered as the responsible mechanism for virus transport. A new procedure is presented in this document to define the setback distance. This procedure is based on the infection risk approach. According to this approach the minimum required setback distance is defined as the distance between the injection point and the location where the contaminant reaches a maximum allowable concentration. This procedure was implemented in a computer code that considers variable saturated water flow, fractured-porous media, advection, dispersion, dynamic sorption, inactivation and mechanical filtration. A comparative analysis was performed for three hypothetical geometries using the two approaches described. The results indicate the approach normally used in Costa Rica may no reproduce adequately the possibility of catchments and wellhead contamination.

Ce travail visait à évaluer le transport d’hydrocarbures aromatiques polycycliques (HAP) et de métaux dans des sols multi pollués, en s’intéressant plus particulièrement au couplage transport-réaction dans la zone non saturée du sol, selon deux axes de travail. En premier lieu, puisque de nombreux sites industriels sont multi pollués, nous avons choisi d’étudier l’influence des métaux sur la sorption des HAP et vice versa en système modèle. Nous avons montré que lors d’une pollution simultanée par du fluoranthène et du zinc, ce dernier est beaucoup moins retenu que lorsqu’il est présent seul et peut donc migrer plus facilement vers la nappe phréatique. Le plomb, quant à lui, est plus fortement retenu en présence de fluoranthène. En revanche, l’effet des métaux sur la rétention du fluoranthène est plus limité. En second lieu, nous avons évalué le transport des HAP et des métaux dans une terre d’une ancienne cokerie lorraine à plusieurs échelles : en colonne de laboratoire en conditions saturées et non saturées ainsi qu’en lysimètre de terrain, afin d’évaluer le pouvoir prédictif des sytèmes de laboratoire. Nous avons montré que les expériences en colonne de laboratoire surestiment la sortie des HAP telle qu’elle a lieu sur le terrain. En revanche, la sortie des métaux est bien prédite par de telles expériences. Mais le lysimètre ne peut pas être utilisé lors d’études de risque puisqu’il demande des durées d’expériences de plusieurs années afin d’avoir une vue globale des phénomènes qui s’y produisent. C’est pourquoi nous avons conçu un système original au laboratoire, capable d’évaluer leur transport conformément à ce qui se passe sur le terrain / PAHs and heavy metals are major soil pollutants and most of former industrial soils are co-polluted by both types of compounds. The aim of this work was to assess their transport in polluted soils under saturated and unsaturated flow conditions. This study was carried out by two approaches. First, heavy metal influence on PAH sorption and vice versa was studied with a “model” system. We showed that when the soil was simultaneously contaminated with fluoranthene and zinc, zinc retention was lower than when it was alone in the soil. As a consequence zinc would be expected to migrate more easily to the water table in co-polluted soils. Lead was more strongly retained in the presence of fluoranthene. But heavy metal influence on fluoranthene sorption was of minor importance. Then, PAH and heavy metal transport in a former coking plant soil was evaluated at the laboratory scale, under saturated and unsaturated flow conditions, by means of column experiments, and at the lysimeter scale under natural atmospheric conditions. The goal of these experiments was to compare PAH and heavy metal migration in a field-like situation with results obtained in the laboratory and to determine the appropriate experimental device for risk assessment studies. We showed that column experiments may overestimate PAH migration at the field scale. However heavy metal leaching was in accordance with what was expected from lysimeter experiments. But such experiments are rather time consuming and quite expensive, and as a consequence not adapted for risk assessment studies. Therefore we designed an original laboratory set up able to represent PAH and heavy metal migration at the field scale

Ce travail vise à étudier le couplage entre écoulement et interactions physico-chimiques dans les sols, dans différentes conditions de saturation en eau, afin d’améliorer la prédiction du devenir des polluants. Il s’agit de comprendre en quoi le taux de saturation du milieu affecte la réactivité du sol vis-à-vis des polluants, et d’évaluer le pouvoir prédictif du transport de solutés réactifs étudié en milieu saturé sur la réactivité en conditions non saturées. Différents processus sont considérés : l’échange de cations calcium-zinc sur un milieu poreux modèle (sable-kaolinite), la sorption et désorption d’un composé organique sur une terre non contaminée, le transport de polluants prioritaires tels que les HAP sur une terre de friche industrielle. Dans chaque cas, des expériences en colonne de laboratoire ont été conduites en conditions d’écoulement saturé et non saturé permanent, permettant tout d’abord la caractérisation de l’hydrodynamique, puis l’étude du couplage avec la réactivité. Les courbes de percée obtenues ont été ensuite modélisées avec des codes tels que CXTFIT. On a montré l’influence de la teneur en eau du milieu sur le transport réactif, variable suivant le type de réaction considéré, la structure des milieux jouant également un rôle important. L’échange d’ions sur le milieu modèle n’est globalement pas affecté par la teneur en eau, dans une gamme proche de la saturation. En revanche, une plus forte sorption et une plus faible mobilisation des polluants organiques ont été observées en conditions non saturées. Le transport réactif de ces composés ne peut donc pas être prédit en conditions non saturées à partir de mesures en milieu saturé, qui peuvent surestimer le transport / The aim of this work was to study the link between water flow and physical and chemical interactions in soils under variably water flow conditions, in order to improve the prediction of contaminants fate. It deals with understanding how the porous media water content can modify soil reactivity towards contaminants, and assessing the possibility to predict reactivity under unsaturated conditions with reactive solute transport studied in saturated porous media. Various processes were considered: cations exchange calcium-zinc on a model porous media (sand-kaolinite), sorption and desorption of an organic compound on a non polluted soil, transport of priority contaminants such as PAHs on an industrial contaminated soil. In each case, experiments were carried out with soil columns at the laboratory scale under saturated and unsaturated steady-state flow conditions, in order to characterize at first hydrodynamics and then to study the link with reactivity. Modeling of the breakthrough curves was then performed with codes such as CXTFIT. We showed an influence of porous media water content on reactive transport which was different as a function of the interaction. Porous media structure must also be taken into account. Ions exchange on a model porous media was not globally modified by the water content varying in a range close to saturation. On the contrary, higher sorption and lower migration of organic contaminants were observed under unsaturated conditions. Reactive transport of these compounds cannot therefore be predicted under unsaturated conditions with tests performed on saturated porous media which may overestimate transport

<p>The coupled transport of water and heat, involving freezing and thawing, in the road structure and its immediate environment is important to consider for optimal design and maintenance of roads and when assessing solute transport, of e.g. de-icing salt, from roads. The objective of this study was to develop mechanistic models, and measurement techniques, suitable to describe and understand water flow and heat flux in road structures exposed to a cold climate. </p><p>Freezing and thawing was accounted for by implementing new routines in two numerical models (HYDRUS1D/2D). The sensitivity of the model output to changes in parameter values and operational hydrological data was investigated by uncertainty and sensitivity analyses. The effect of rainfall event characteristics and asphalt fractures on the subsurface flow pattern was investigated by scenario modelling. The performance of water content reflectometers (WCR), measuring water content, was evaluated using measurements in two road structure materials. A numerical model was used to simulate WCR sensor response. The freezing/thawing routines were stable and provided results in agreement with laboratory measurements. Frost depth, thawing period, and freezing-induced water redistribution in a model road was greatly affected by groundwater level and type of subgrade. The simulated subsurface flow patterns corresponded well with published field observations. A new method was successful in enabling the application of time domain reflectometer (TDR) calibration equations to WCR output. The observed distortion in sampling volume for one of the road materials could be explained by the WCR sensor numerical model. Soil physical, hydrological, and hydraulic modules proved successful in simulating the coupled transport of water and heat in and on the road structure. It was demonstrated in this thesis that numerical models can improve the interpretation and explanation of measurements. The HYDRUS model was an accurate and pedagogical tool, clearly useful in road design and management.</p>

The coupled transport of water and heat, involving freezing and thawing, in the road structure and its immediate environment is important to consider for optimal design and maintenance of roads and when assessing solute transport, of e.g. de-icing salt, from roads. The objective of this study was to develop mechanistic models, and measurement techniques, suitable to describe and understand water flow and heat flux in road structures exposed to a cold climate. Freezing and thawing was accounted for by implementing new routines in two numerical models (HYDRUS1D/2D). The sensitivity of the model output to changes in parameter values and operational hydrological data was investigated by uncertainty and sensitivity analyses. The effect of rainfall event characteristics and asphalt fractures on the subsurface flow pattern was investigated by scenario modelling. The performance of water content reflectometers (WCR), measuring water content, was evaluated using measurements in two road structure materials. A numerical model was used to simulate WCR sensor response. The freezing/thawing routines were stable and provided results in agreement with laboratory measurements. Frost depth, thawing period, and freezing-induced water redistribution in a model road was greatly affected by groundwater level and type of subgrade. The simulated subsurface flow patterns corresponded well with published field observations. A new method was successful in enabling the application of time domain reflectometer (TDR) calibration equations to WCR output. The observed distortion in sampling volume for one of the road materials could be explained by the WCR sensor numerical model. Soil physical, hydrological, and hydraulic modules proved successful in simulating the coupled transport of water and heat in and on the road structure. It was demonstrated in this thesis that numerical models can improve the interpretation and explanation of measurements. The HYDRUS model was an accurate and pedagogical tool, clearly useful in road design and management.

[pt] Os deslizamentos ocorridos em grandes escalas ao redor do mundo decorrentes, principalmente, de eventos chuvosos extremos criaram um sinal de alerta para a necessidade de compreensão dos mecanismos de deflagração desses movimentos de massa. No entanto, a influência de variáveis fundamentais, como a espessura de solo e as condições iniciais de umidade, no estudo de estabilidade de bacias hidrográficas ainda não foi totalmente esclarecido. Nesta dissertação, simulações numéricas de fluxo e análise de estabilidade de encostas são realizadas nas bacias hidrográficas dos rios Quitite e Papagaio. Primeiramente, dois modelos analíticos de espessura de solo são utilizados em simulações envolvendo o fluxo tridimensional saturado-não saturado com o uso do método dos elementos finitos. A condição inicial de umidade também é analisada utilizando-se dados de precipitação por um período de spin-up. Posteriormente, o fator de segurança (FS) da região, via talude infinito, é analisado após a imposição de um evento chuvoso extremo. Dessa forma, é possível verificar que os intervalos de espessuras de solo de 0 a 3 m são os que mais se assemelham às cicatrizes mapeadas, sugerindo uma abordagem mais realística de espessura média para a bacia. Além disso, é verificado que, em eventos extremos, o uso do spin-up time para condição inicial de umidade variável pode não ter muita influência no fator de segurança, pois a intensidade e duração da chuva serão os agentes deflagradores. / [en] The large-scale landslides that have occurred around the world, mainly due to extreme rainfall events, serve as a warning signal for the need to understand the triggering mechanisms of these mass movements. However, the influence of fundamental variables, such as soil thickness and initial moisture conditions, in the study of watershed stability has not been fully clarified. In this dissertation, numerical flow simulations and slope stability analysis are carried out for the hydrographic basins of the Quitite and Papagaio rivers. In this study, two analytical soil thickness models are applied to saturated-unsaturated three-dimensional finite element flow simulations. The initial moisture condition is analyzed using precipitation data for a spin-up period. Subsequently, the safety factor (SF) is analysed, using the infinite slope method, after the imposition of an extreme rainfall event. From these results, it is possible to verify that the ranges of soil thicknesses from 0 to 3 m are the ones that most resemble the mapped scars, suggesting a more realistic approach for considering the average basin thickness. In addition, it is verified that, in extreme events, the use of spin-up time for initial variable humidity conditions may not have much influence on the safety factor, since the intensity and duration of the rain will be the triggering agents.

Das Ziel der vorliegenden Arbeit ist die Entwicklung von partikelbasierenden Strömungs- und Transportmodellen zur Charakterisierung von kleinskaligen Strömungsprozessen in gesättigten und ungesättigten Poren- und Kluftsystemen. Aufgrund der unzureichenden Prozessbeschreibung von ungesättigter Strömung in Doppelkontinuummodellen mittels der Richardsgleichung und van Genuchten Parametern werden innovative Methoden präsentiert um die zugrunde liegenden hochdynamischen Strömungs- und Transportprozesse zu erfassen. Die Simulation von Strömung und Transport in ungesättigten geklüfteten Aquiferen bildet immer noch ein höchst anspruchsvolles Aufgabenfeld aufgrund von skalenübergreifenden Diskontinuitäten, welche oftmals die Definition eines globalen repräsentativen Einheitsvolumens nicht zulassen. Des Weiteren können die hydraulischen Eigenschaften und potentiellen Parameterräume von geklüfteten Aquiferen oftmals nur durch integrale Ansätze, wie z.B. Pump- und Slugtests, Zeitreihenanalysen von Quellschüttungen und Tracertests ermittelt werden. Doppelkontinuummodelle bieten hierfür einen ausgewogenen Ansatz hinsichtlich der erforderlichen Felddaten und der resultierenden prädiktiven Modellqualität. Der erste Teil dieser Arbeit evaluiert den Doppelkontinuumansatz, welcher die Simulation von Strömung mittels der Richardsgleichung und van Genuchten Parametern in zwei, durch einen linearen Austauschterm gekoppelten, Kontinua ermöglicht. Ganglinien von Karstquellen weisen eine charakteristischen steilen Abfall nach Niederschlagsereignissen auf, der durch das Modell erfolgreich reproduziert werden kann. Das Röhrensystem bildet die hydraulische Brücke zur Karstquelle und nimmt potentialabhängige Wassermengen des geklüfteten Matrixsystems auf. Um die Simulation von schneller Grundwasserinfiltration durch das Röhrenkontinuum innerhalb der ungesättigten Zone zu vermeiden wurde die entsprechende Randbedingung an die untere Grenze des Kontinuums gesetzt. Ein genereller Nachteil des Doppelkontinuumsansatz ist die potentielle Mehrdeutigkeit von Modellergebnissen. Der duale Parameterraum in Kombination mit schwierig zu ermittelnden Parametern, führt zur Existenz von mehr als einem kalibrierten Modell, wie durch mehrdimensionale Sensitivitätsanalysen aufgezeigt wird.  Insbesondere in Karstaquiferen bilden Diskontinuitäten, wie z.B. Lösungsdolinen, Klüfte und Störungssysteme, bevorzugte hydraulische Elemente für schnelle vertikale Grundwasserneubildungsprozesse, die oftmals nicht durch volumeneffektive Modellansätze erfasst werden können. Der Hauptteil dieser Arbeit befasst sich daher mit der Entwicklung von zwei Smoothed Particle Hydrodynamics (SPH) Modellen um ein adäquates numerisches Werkzeug zur partikelbasierenden Simulation von kleinskaligen Strömungen mit freien Oberflächen und Transportprozessen bereitzustellen. SPH Modelle ermöglichen eine Eulersche Beschreibung eines Strömungsfelds auf Basis der Navier-Stokes Gleichung und Partikelbewegung mittels klassischer Newtonscher Mechanik. Der gitterlose Modellansatz ermöglicht flexible Simulationen von hochdynamischen Phasengrenzen in ungesättigten Klüften und Porenräumen. Das erste SPH Modell wird eingesetzt um durch Oberflächenspannung dominierte Tropfen- und Filmströmungen auf glatten und rauhen Kluftoberflächen zu simulieren. Charakteristische dimensionslose Kennzahlen werden über einen weiten Bereich von Benetzungswinkeln und Reynoldszahlen bestimmt. Modellergebnisse weisen einen hervorragende Übereinstimmung mit dimensionslosen Skalierungsfunktionen auf und kritische Kontaktwinkel folgen der zu erwartenden Entnetzungsdynamik. Die Entstehung von adsorbierten Filmen auf trockenen Oberflächen wird für einen breiten Parameterraum bestimmt. Des Weiteren wird der Einfluss von befeuchteten Oberflächen auf die Geschwindigkeitszunahme von Tropfenströmung aufgezeigt und so die Bedeutung der Koexistenz verschiedener Strömungsmodi gezeigt. Der Effekt von Oberflächenrauhigkeit auf Tropfenströmung wird für verschiedene Rauhigkeiten ermittelt und eine deutliche Geschwindigkeitsabnahme demonstriert. Um die makroskopische Kontinuumsbeschreibung der Navier-Stokes Gleichung und atomistische Effekte eines klassischen Partikelsystems der statistischen Mechanik zu kombinieren wurde ein zweites mesoskopisches SPH Modell entwickelt. Diese neue Diskretisation der vollständig gekoppelten Landau-Lifshitz-Navier-Stokes und Advektions- Diffusionsgleichung ermöglicht die Simulation von Strömung und Transport bei gleichzeitiger Berücksichtigung von Fluktuationsdynamiken, welche sich korrekt der Systemskala anpassen. Die Verbindung von klassischer Fickscher Diffusion und thermodynamischen Fluktuationen wird hierbei durch einen effektiven Diffusionskoeffizienten beschrieben. Numerische Experimente zeigen die Präzision des Modells. Grenzflächen zwischen zwei Fluiden unterschiedlicher Konzentration weisen eine korrekte Wellenzahldivergenz entsprechend aktuellen Laborergebnissen auf.

This thesis deals with the theoretical description of the infiltration process and field measurements of infiltration in the cadastral territory of Bohaté Málkovice. The research work carried out in 2011 in an experimental area on Haplic Chernozem/FAO, medium-heavy loam soil. The experimental area was divided into two parts, the topsoil layer on these surfaces was processed by both classic and minimization technologies. The plots were sown by spring barley. The applied measurements of water infiltration into the soil were two-cylinder method and MiniDisc. Within the vicinity of the infiltration experiments with intact soil were collected samples for laboratory determination of saturated hydraulic conductivity. From the field measurements and laboratory experiments were determined values of hydraulic conductivity (saturated and unsaturated), and other infiltration characteristics, the cumulative infiltration and infiltration rate. To evaluate the infiltration of the heats was used three-paramether Philp type equation that provides a good estimate of saturated hydraulic conductivity. For the evaluation of the MiniDisc there was used the Zangova method that provides the unsaturated hydraulic conductivity. The laboratory evaluation of the saturated hydraulic conductivity was compared with the estimated values obtained from the field measurements. The values of the saturated hydraulic conductivity from the laboratory measurements are closely comparable with estimates obtained from the steady infiltration rates from the field experiments. The research results also showed that medium-heavy loam soil, when being processed by minimization including modification of the soil surface by digging, have a positive effect on the infiltration of water into the soil. This fact leads to a higher protection plants in the vegetative period and improvement of the retention and storage capacity of soil.