[pt] Este trabalho apresenta o desenvolvimento de um sistema integrado de modelagem, tridimensional, de fluxo e transporte em meios porosos e fraturados. O sistema é composto de seis programas computacionais, que são responsáveis pela geração de superfícies geológicas (Gocad), geração de sistemas de fraturas (FracGen3D), modelagem geométrica (MG), análise numérica de fluxo e transporte (soluto e partículas) (FTPF-3D) e visualização dos resultados (Pos3D e Matlab). Dos programas, dois foram desenvolvidos neste trabalho (FracGen3D e o FTPF-3D) e quatro foram integrados ao sistema (Gocad, MG, Pos3D e Matlab). O sistema é capaz de modelar os meios porosos, fraturados, porosos fraturados (meio poroso e fraturado interposto) e uma combinação entre os meios. Nos meios fraturados ou porosos fraturados, as fraturas geradas podem ser do tipo determinísticas e/ou estatísticas. As características das fraturas estatísticas podem ser geradas segundo distribuições probabilísticas ou com valores constantes. O programa de análise numérica utiliza o Método dos Elementos Finitos para resolver as equações governantes, considerando os regimes permanente e transiente, em condições saturadas e não saturadas. Para a solução da não linearidade da equação de fluxo, é adotado o método de Picard ou o método BFGS. No transporte de solutos, os mecanismos de advecção, dispersão, difusão, sorção e decaimento podem ser considerados. O trabalho apresenta exemplos numéricos utilizados na validação das implementações computacionais realizadas, e apresenta também, outros exemplos utilizados para demonstrar o sistema desenvolvido. / [en] This work presents the development of an integrated system for the threedimensional modelling of flow and transport in porous and fractured media. The system is composed of six computational programs, which are responsible for the generation of geologic surface (Gocad), generation of fracture network (FracGen3D), geometric modelling (MG), numerical analysis of flow and transport (solute and particles) (FTPF-3D) and results visualization (Pos3D and Matlab). Of the programs, two had been developed in this work (FracGen3D and the FTPF-3D) and four had been integrated to the system (Gocad, MG, Pos3D and Matlab). The system is able to model the porous, fractured, fractured porous media (porous and fractured medias interposed) and a combination between the media. In the fractured or fractured porous media, the fractures generated can be of the type deterministic and/or statistical. The characteristics of the statistical fractures can be generated according to probabilistic distributions or with constant values. The numerical analysis program uses the Finite Element Method to solve the governance equations, considering steady-state and transient flow, in saturated and unsaturated conditions. For the solution of non linearity of the flow equation, the Picard scheme or the BFGS scheme are adopted. In the solute transport, the advection, dispersion, diffusion, sorption and decay mechanisms can be considered. This work also presents numerical examples used in the validation of the carried through computational implementations and other examples used to demonstrate the system that has been developed.

Made available in DSpace on 2017-07-10T19:25:03Z (GMT). No. of bitstreams: 1 Alice Leal Terres Oro.pdf: 734105 bytes, checksum: 00f0a2e6f0c0139384a1298b29fdcc57 (MD5) Previous issue date: 2006-07-20 / Measurements of solute concentrations at soils are essential to optimize irrigation and fertilizer application, to study surface runoff and erosion and to evaluate soil salinity. For this purpose, Time Domain Reflectometry is a dielectric technique that has been shown to give accurate water content and electrical conductivity values. Used under both laboratory and field conditions, this a non-destructive essay takes simultaneous measurements of electrical conductivity and soil water content, using a single probe and testing only one sample region. Although there are many ways in which electrical conductivity may be obtained with Time Domain Reflectometry equipment, few of them are characterized by simplicity and straight forwardness. Because of that, this study aimed to evaluate different methods to determine electrical conductivity at solutions and soils. A sequence of laboratory experiments was conducted in deformed soil samples of an Oxisol from West Parana State, arranged in columns 0,30 m height, with an internal diameter of 0,19 m. The three wire probes, with manual assembling and without impedance-matching transformer, were vertically installed in soil columns, considering as a control one the column which soil received only distilled water. The others treatments were defined according to the sodium chloride content: 0,01; 0,03; 0,05; 0,07; 0,09; 0,10 and 0,15 N. The electrical conductivity was determined using waveforms collected with specific software and there wasn t signal attenuation. It was found a linear relationship between the bulk electrical conductivity and the pore water electrical conductivity under constant water content. It was concluded that soils with significant iron contents display an atypical dielectric behavior that limits the applicability of the equipment for measuring not only soil moisture but bulk electrical conductivity also. / Medidas de concentrações de solutos em solos são essenciais para otimizar a irrigação e aplicações de fertilizantes, para estudar escoamento superficial e erosão e para avaliar a salinidade do solo. Para tal fim, a Reflectometria no Domínio do Tempo é uma técnica dielétrica que tem sido capaz de fornecer valores precisos, tanto para teores de água como para condutividade elétrica do solo. Empregada tanto em condições de laboratório como em condições de campo, esta técnica não-destrutiva realiza medidas simultâneas das duas grandezas, empregando uma única sonda e testando a mesma região da amostra. Embora existam várias técnicas através das quais a condutividade elétrica pode ser determinada com um equipamento de Reflectometria no Domínio do Tempo, poucas técnicas são caracterizadas pela simplicidade e pela rapidez. Devido a isso, o presente trabalho objetivou avaliar diferentes métodos para a determinação da condutividade elétrica de soluções e de solos. O trabalho foi desenvolvido em condições de laboratório, usando amostras deformadas de um Latossolo Vermelho distroférrico da Região Oeste do Paraná, acondicionadas em colunas com comprimento de 0,30 m e diâmetro de 0,19 m. As sondas com 3 hastes, montadas de forma artesanal e sem qualquer equalização de impedâncias, foram instaladas verticalmente nas colunas de solo, sendo considerada como controle a coluna cujo solo recebeu água destilada. Os outros tratamentos foram definidos conforme os teores de cloreto de sódio adicionado: 0,01; 0,03; 0,05; 0,07; 0,09; 0,10 e 0,15 N. A condutividade elétrica foi determinada a partir das formas de onda coletadas com um programa específico e não ocorreu atenuação de sinal. Encontrou-se uma relação linear entre as medidas de condutividade elétrica total do solo e a condutividade elétrica da solução do solo, sob umidade constante. Também se concluiu que solos com alto teor de Fe exibem um comportamento dielétrico atípico, o qual limita a aplicabilidade da técnica.

Made available in DSpace on 2017-05-12T14:48:24Z (GMT). No. of bitstreams: 1 Alice Leal Terres Oro.pdf: 734105 bytes, checksum: 00f0a2e6f0c0139384a1298b29fdcc57 (MD5) Previous issue date: 2006-07-20 / Measurements of solute concentrations at soils are essential to optimize irrigation and fertilizer application, to study surface runoff and erosion and to evaluate soil salinity. For this purpose, Time Domain Reflectometry is a dielectric technique that has been shown to give accurate water content and electrical conductivity values. Used under both laboratory and field conditions, this a non-destructive essay takes simultaneous measurements of electrical conductivity and soil water content, using a single probe and testing only one sample region. Although there are many ways in which electrical conductivity may be obtained with Time Domain Reflectometry equipment, few of them are characterized by simplicity and straight forwardness. Because of that, this study aimed to evaluate different methods to determine electrical conductivity at solutions and soils. A sequence of laboratory experiments was conducted in deformed soil samples of an Oxisol from West Parana State, arranged in columns 0,30 m height, with an internal diameter of 0,19 m. The three wire probes, with manual assembling and without impedance-matching transformer, were vertically installed in soil columns, considering as a control one the column which soil received only distilled water. The others treatments were defined according to the sodium chloride content: 0,01; 0,03; 0,05; 0,07; 0,09; 0,10 and 0,15 N. The electrical conductivity was determined using waveforms collected with specific software and there wasn t signal attenuation. It was found a linear relationship between the bulk electrical conductivity and the pore water electrical conductivity under constant water content. It was concluded that soils with significant iron contents display an atypical dielectric behavior that limits the applicability of the equipment for measuring not only soil moisture but bulk electrical conductivity also. / Medidas de concentrações de solutos em solos são essenciais para otimizar a irrigação e aplicações de fertilizantes, para estudar escoamento superficial e erosão e para avaliar a salinidade do solo. Para tal fim, a Reflectometria no Domínio do Tempo é uma técnica dielétrica que tem sido capaz de fornecer valores precisos, tanto para teores de água como para condutividade elétrica do solo. Empregada tanto em condições de laboratório como em condições de campo, esta técnica não-destrutiva realiza medidas simultâneas das duas grandezas, empregando uma única sonda e testando a mesma região da amostra. Embora existam várias técnicas através das quais a condutividade elétrica pode ser determinada com um equipamento de Reflectometria no Domínio do Tempo, poucas técnicas são caracterizadas pela simplicidade e pela rapidez. Devido a isso, o presente trabalho objetivou avaliar diferentes métodos para a determinação da condutividade elétrica de soluções e de solos. O trabalho foi desenvolvido em condições de laboratório, usando amostras deformadas de um Latossolo Vermelho distroférrico da Região Oeste do Paraná, acondicionadas em colunas com comprimento de 0,30 m e diâmetro de 0,19 m. As sondas com 3 hastes, montadas de forma artesanal e sem qualquer equalização de impedâncias, foram instaladas verticalmente nas colunas de solo, sendo considerada como controle a coluna cujo solo recebeu água destilada. Os outros tratamentos foram definidos conforme os teores de cloreto de sódio adicionado: 0,01; 0,03; 0,05; 0,07; 0,09; 0,10 e 0,15 N. A condutividade elétrica foi determinada a partir das formas de onda coletadas com um programa específico e não ocorreu atenuação de sinal. Encontrou-se uma relação linear entre as medidas de condutividade elétrica total do solo e a condutividade elétrica da solução do solo, sob umidade constante. Também se concluiu que solos com alto teor de Fe exibem um comportamento dielétrico atípico, o qual limita a aplicabilidade da técnica.

[pt] Neste trabalho se analisam as características de colapso de um solo laterítico submetido à percolação de um licor cáustico a diferentes concentrações. O solo é uma areia quartzosa com uma pequena fração de finos cauliníticos. O licor é um efluente industrial, resultante da produção de alumínio, a base de soda cáustica. Mediante o presente estudo, determinou-se o efeito da infiltração do licor cáustico sobre três aspetos: colapsividade, transporte de solutos e características de sucção. Isto foi feito através de um programa experimental que incluiu ensaios de caracterização física-química do solo e do licor, ensaios edométricos, em edômetros especiais, para avaliar as características de colapso e de transporte de solutos, e ensaios de sucção pelo método do papel filtro. Os resultados do programa experimental mostraram que o solo é colapsível em presença de água, sendo sua colapsividade aumentada em presença do licor cáustico. Também indicaram que os parâmetros de transporte e sucção são fortemente afetados pela percolação do licor. A mudança destes parâmetros é função da concentração do licor. / [en] In this work, characteristics of collapse of a laterítico soil submitted to percolation of a caustic liqueur to different concentrations are analysed. The soil comprises a quartzitic sand with a small fraction of kaolinitic clay. The liqueur is a caustic fluid, from an aluminium industry. In the present study, effects of the caustic liqueur infiltration were observed considering three aspects: collapse, solute transport and soil suction characteristics. This was done through an experimental program that included physical and chemical characterization of the soil and liqueur, special oedometer tests to evaluate simultaneously collapse characteristics and solute transport, and suction tests using the filter paper method. The results of the experimental program showed that the soil suffers volume change in presence of water, and its colapsivity is increased in presence of the caustic liqueur. They also indicated that the transport and suction parameters are affected strongly by the percolation of the liqueur.

<p>One of many applications of geohydraulic modelling is assessing the suitability of a site to host a nuclear waste repository. This modelling task is complicated by scale-dependent heterogeneity and coupled thermo-hydro-mechanical (THM) processes. The objective here was to develop methods for (i) upscaling flow and transport in fractured media from detailed-scale data and (ii) accounting for THM-induced effects on regional-scale transport. An example field data set was used for demonstration.</p><p>A systematic framework was developed where equivalent properties of flow, transport, and stress-effects were estimated with discrete fracture network (DFN) modelling, at some block scale, and then transferred to a regional-scale stochastic continuum (SC) model. The selected block scale allowed a continuum approximation of flow, but not of transport. Instead, block-scale transport was quantified by transit time distributions and modelled with a particle random walk method at the regional scale.</p><p>An enhanced SC-upscaling approach was developed to reproduce the DFN flow results more simply. This required: (i) weighting of the input well-test data by their conductivity-dependent test volumes and (ii) conductivity-dependent correlation structure. Interestingly, the best-fitting correlation structure resembled the density function of DFN transmissivities. </p><p>Channelized transport, over distances exceeding the block scale, was modelled with a transport persistence length. A linear relationship was found between this persistence length and the macroscale dispersion coefficient, with a slope equal to a representative mean block-scale dispersion coefficient.</p><p>A method was also developed to combine well-test data and rock-mechanical data in estimating fracture transmissivities, and its application was demonstrated.</p><p>Finally, an overall sequential THM analysis was introduced allowing the estimation of the significance of waste-related thermo-mechanical (TM) effects on regional transport; here TM effects are calculated separately and their impact on fracture transmissivities were incorporated into the hybrid framework. For the particular case, their effects on regional-scale transport were small.</p>

Durch die Stilllegung der Kali-Gewinnung und -Produktion zwischen 1990 und 1993 sowie die begonnene Rekultivierung der Kali-Rückstandshalden haben sich die Salzfrachteintragsbedingungen für die Fließgwewässer im "Südharz-Kalirevier" in Thüringen zum Teil deutlich verändert. Aufgrund erheblich geringerer Salzeinträge in die Vorfluter Wipper und Bode ist es möglich geworden, zu einer ökologisch verträglichen Salzfrachtsteuerung überzugehen. Die Komplexität der zugrunde liegenden Stofftransportprozesse im Einzugsgebiet der Wipper macht es jedoch unumgänglich, den Steuerungsvorgang nicht nur durch reine Bilanzierungsvorgänge auf der betrachteten Steuerstrecke zu erfassen (so wie bisher praktiziert), sondern auch die Abflussdynamik im Fließgewässer und den Wasserhaushalt im Gebiet mit einzubeziehen. <br><br> Die Ergebnisse dieser Arbeit dienen zum einen einer Vertiefung der Prozessverständnisse und der Interaktion von Wasserhaushalt, Abflussbildung sowie Stofftransport in bergbaubeeinflussten Einzugsgebieten am Beispiel der Unstrut bzw. ihrer relevanten Nebenflüsse. Zum anderen sollen sie zur Analyse und Bewertung eines Bewirtschaftungsplanes für die genannten Fließgewässer herangezogen werden können. Ziel dieser Arbeit ist die Erstellung eines prognosetauglichen Steuerungsinstrumentes, das für die Bewirtschaftung von Flusseinzugsgebieten unterschiedlicher Größe genutzt und unter den Rahmenbedingungen der bergbaubedingten salinaren Einträge effektiv zur Steuerung der anthropogenen Frachten eingesetzt werden kann. <br><br> Die Quellen der anthropogen eingeleiteten Salzfracht sind vor allem die Rückstandshalden der stillgelegten Kaliwerke. Durch Niederschläge entstehen salzhaltige Haldenabwässer, die zum Teil ungesteuert über oberflächennahe Ausbreitungsvorgänge direkt in die Vorfluter gelangen, ein anderer Teil wird über die Speichereinrichtungen gefasst und gezielt abgestoßen. Durch Undichtigkeiten des Laugenstapelbeckens in Wipperdorf gelangen ebenfalls ungesteuerte Frachteinträge in die Wipper. Ein weiterer Eintragspfad ist zudem die geogene Belastung. <br><br> Mit Hilfe detaillierter Angaben zu den oben genannten Eintragspfaden konnten Modellrechnungen im Zeitraum von 1992 bis 2003 durchgeführt werden. Durch die Ausarbeitung eines neuartigen Steuerungskonzeptes für das Laugenstapelbecken Wipperdorf, war es nun möglich, die gefasste Haldenlauge entsprechend der aktuellen Abflusssituation gezielt abstoßen zu können. Neben der modelltechnischen Erfassung der aktuellen hydrologischen Situation und der Vorgabe eines Chlorid-Konzentrationssteuerzieles für den Pegel Hachelbich, mussten dabei weitere Randbedingungen (Beckenkapazität, Beckenfüllstand, Mindestfüllstand, Kapazität des Ableitungskanals, usw.) berücksichtigt werden. <br><br> Es zeigte sich, dass unter Anwendung des Steuerungskonzeptes die Schwankungsbreite der Chloridkonzentration insgesamt gesehen deutlich verringert werden konnte. Die Überschreitungshäufigkeiten bezüglich eines Grenzwertes von 2 g Chlorid/l am Pegel Hachelbich fielen deutlich, und auch die maximale Dauer einer solchen Periode konnte stark verkürzt werden. Kritische Situationen bei der modelltechnischen Frachtzusteuerung traten nur dann auf, wenn Niedrigwasserverhältnisse durch die Simulationsberechnungen noch unterschätzt wurden. Dies hatte deutliche Überschreitungen der Zielvorgaben für den Pegel Hachelbich zur Folge. <br><br> Mit Hilfe des Steuerungsalgorithmus konnten desweiteren auch Szenarienberechnungen durchgeführt werden, um die Auswirkungen zukünftig zu erwartender Salzfrachten näher spezifizieren zu können. Dabei konnte festgestellt werden, dass Abdichtungsmaßnahmen der Haldenkörper sich direkt positiv auf die Entwicklung der Konzentration in Hachelbich auswirkten. Durch zusätzlich durchgeführte Langzeitszenarien konnte darüber hinaus nachgewiesen werden, dass langfristig eine Grenzwertfestlegung auf 1,5 g Chlorid/l in Hachelbich möglich ist, und die Stapelkapazitäten dazu ausreichend bemessen sind. / As a consequence of general closure and conversion of potash-industries between the years 1990 and 1993 and due to the beginning of recultivation activities on the potash stockpiles the load of dissolved potassium salt of rivers in the "Südharz-Kalirevier" in the German federal state of Thuringia has considerably changed. The extremely decreased salt inputs into the tributaries of Wipper and Bode were accompanied by a change in salt load management towards a system controlled with respect to river ecology. Due to the high complexity of salt transport processes in the Wipper catchment, the existing operation rules cannot comply with the present requirements, so that a comprehensive knowledge of water balance processes and river flow dynamics have to be included in management strategies. <br><br> On the one hand this investigation aims to analyse the processes and the interaction of water balance, runoff generation and solute transport in catchment areas influenced by salt mining activities such as the case in the river Unstrut and its relevant tributaries. On the other hand the results of this study can help to analyse and assess sustainable management plans for the above mentioned river basins. Thus the main objective of this study is to develop an integrated, predictive management tool, that can be applied for catchment areas of different spatial scales and for the effective use of controlled discharge of anthropogenic salt solution taking into account the basic input conditions from salt mining activities. <br><br> The most important sources of anthropogenic salt inputs into the river stream are the salt loads from the potash stockpiles near the disused mines. Due to usual precipitation salt solution leaches from the stockpiles, which partly reaches the river streams uncontrolled by lateral interflow processes. Another part is being gathered in reservoirs and than discharged according to special system operation rules. As well dissolved salt loads comes into the Wipper by leakage processes out of the reservoir in Wipperdorf. Furthermore geogenic input is another important emission pathway. <br><br> With detailed information about these different emission pathways, model simulations were performed within the period from 1992 to 2003. After the technical implementation of a new management strategy for the reservoir in Wipperdorf, now it was possible to push off the stored lye according to the actual runoff situation in the river stream. Beside a fully modell aided description of the whole actual hydrological situtation and provided control values for chloride concentration at the gauging station in Hachelbich, also other boundary conditions had to be considered for this purpose (such as reservoir capacity, actual fill level, minimum fill level, drain capacity etc.). <br><br> It turned out, that the application of the new management strategy led to a clear decreased range in chloride concentration. Frequencies of exceeding a critical value of 2 g chloride/l at gauging station in Hachelbich enormously declined and the maximum duration of such periods could rigorously be shortened. Particluar critical situations in calculating potential lye discharge only occured when measured flow discharge was underestimated through model simulations. In this case control values for the gauging station in Hachelbich could not be achieved. <br><br> With this new management tool scenario simulations were executed to analyse the effects of expected amounts of lye in future. These theoretical studies showed the decreasing trend in chloride concentration if restorations measures at the stockpiles would be continued. Longterm scenario runs also showed, that a threshold value of 1,5 g chloride/l in Hachelbich could be achieved and existing storage capacities therefor will be sufficiently dimensioned.

One of many applications of geohydraulic modelling is assessing the suitability of a site to host a nuclear waste repository. This modelling task is complicated by scale-dependent heterogeneity and coupled thermo-hydro-mechanical (THM) processes. The objective here was to develop methods for (i) upscaling flow and transport in fractured media from detailed-scale data and (ii) accounting for THM-induced effects on regional-scale transport. An example field data set was used for demonstration. A systematic framework was developed where equivalent properties of flow, transport, and stress-effects were estimated with discrete fracture network (DFN) modelling, at some block scale, and then transferred to a regional-scale stochastic continuum (SC) model. The selected block scale allowed a continuum approximation of flow, but not of transport. Instead, block-scale transport was quantified by transit time distributions and modelled with a particle random walk method at the regional scale. An enhanced SC-upscaling approach was developed to reproduce the DFN flow results more simply. This required: (i) weighting of the input well-test data by their conductivity-dependent test volumes and (ii) conductivity-dependent correlation structure. Interestingly, the best-fitting correlation structure resembled the density function of DFN transmissivities. Channelized transport, over distances exceeding the block scale, was modelled with a transport persistence length. A linear relationship was found between this persistence length and the macroscale dispersion coefficient, with a slope equal to a representative mean block-scale dispersion coefficient. A method was also developed to combine well-test data and rock-mechanical data in estimating fracture transmissivities, and its application was demonstrated. Finally, an overall sequential THM analysis was introduced allowing the estimation of the significance of waste-related thermo-mechanical (TM) effects on regional transport; here TM effects are calculated separately and their impact on fracture transmissivities were incorporated into the hybrid framework. For the particular case, their effects on regional-scale transport were small.

The euthropthication of the Baltic Sea is a threat that is beginning to be taken seriously by the governments concerned. In Sweden, regulations concerning the allowed nitrogen (N) concentration in the effluent water from wastewater treatment plants are being tightened up. The Rimbo wastewater treatment plant has been imposed to reduce the annual mean concentration of total N in the effluent water to levels below 15 mg l-1. A more and more common way to reduce the nitrogen level in wastewater is to let the water pass through a wetland. This study investigates the possibility to build this kind of wetland at the outlet of the Rimbo wastewater treatment plant. A prestudy of the topography, soil characteristics and groundwater flow indicates that the land area in question is well suited for the construction of a wetland. A proposal for the design has been made by using a physically based computer model developed in the PRIMROSE project (PRocess based Integrated Management of constructed and Riverine wetlands for Optimal control of wastewater at catchment ScalE), which is financed by the EU. Analysis of the residence time distribution (RTD) is a tool for understanding wetland design characteristics and can be used for wetland engineering such as optimizing design for best possibleefficiency in nitrogen removal. In order to characterize the performance of a wetland, it is useful to translate the RTD to a key figure representing the treatment efficiency. In this work, two types of such key figures have been used. Key figure 1 gives the hydraulic efficiency and Key figure 2 gives an estimation of the nitrogen retention by an integration of hydraulic characteristics and the chemical transformation of nitrogen. The results of this study show that constructing a wetland in Rimbo probably would be an efficient way to reduce the nitrogen level at the effluent of the wastewater plant below the limits of the regulations. In addition, a wetland would form a nice place of recreation for the people in Rimbo and also make a good habitat for birds. / Övergödningen i Östersjön är ett problem som uppmärksammas alltmer. Ett led i att minska kvävebelastningen på Östersjön är ökade krav på rening i de svenska kommunala reningsverken. Rimbo avloppsreningsanläggning har blivit ålagd ett riktvärde för totalkväve på 15 mg l-1 i utgående vatten, vilket motsvarar en reningsgrad som inte uppnås idag. Ett alltmer vanligt sätt att minska föroreningshalterna är att anlägga våtmarker i anslutning till reningsverken för att efterpolera spillvattnet. Det här arbetet är en del av en förstudie till en sådan våtmark i Rimbo. En förundersökning av topografi, jordart och grundvattenflöden indikerar att det område som föreslagits i anslutning till reningsverket i Rimbo lämpar sig väl för ett våtmarksbygge. Förslag till utformning har tagits fram med hjälp av en fysikaliskt baserad modell över vattenströmning, utvecklad inom det EU-finansierade projektet PRIMROSE (PRocess based Integrated Management of constructed and Riverine wetlands for Optimal control of wastewater at catchment ScalE). Analys av vattnets uppehållstidsfördelning ger förståelse för våtmarkens egenskaper och kan därför användas vid t ex optimering av våtmarksdesign med avseende på kväverening. För att på ett enkelt sätt kunna jämföra olika våtmarkers effektivitet är det praktiskt att översätta uppehållstidsfördelningen till ett nyckeltal för reningseffekten. I det här arbetet har två olika sådana nyckeltal beräknats. Det första ger den hydrauliska effektiviteten och det andra bygger på en metod där våtmarkens interna hydraulik integreras med den kemiska omvandlingen av kväve. Nyckeltal 1 ger ett mått på hur stor del av volymen i våtmarken som används för kväverening, medan Nyckeltal 2 ger ett mått på den procentuella kväveavskiljningen. Den här förstudien visar att en våtmark sannolikt skulle vara ett utmärkt sätt att klara riktvärdet för kvävehalten vid reningsverket i Rimbo. Därutöver skulle en våtmark kunna utgöra ett positivt inslag i landskapet och öka den biologiska mångfalden, inte minst vad gäller fågelliv.

The thesis deals with the numerical modeling of nonreactive and nonlinearly sorbing solutes in groundwater and analysis of the effect of heterogeneity resulting from spatial variation of physical and chemical parameters on the transport of solutes. For this purpose, a hy­brid flux corrected transport (FCT) and central difference method based on operator-split approach is developed for advection-dispersion solute transport equation. The advective transport is solved using the FCT technique, while the dispersive transport is solved using a conventional, fully implicit, finite difference scheme. Three FCT methods are developed and extension to multidimensional cases are discussed. The FCT models developed are anlaysed using test problems possessing analyt­ical solutions for one and two dimensional cases, while analysing advection and dispersion dominated transport situations. Different initial and boundary conditions, which mimic the laboratory and field situations are analysed in order to study numerical dispersion, peak cliping and grid orientation. The developed models are tested to study their relative merits and weaknesses for various grid Peclet and Courant numbers. It is observed from the one dimensional results that all the FCT models perform well for continuous solute sources under varying degrees of Courant number restriction. For sharp solute pulses FCT1 and FCT3 methods fail to simulate the fronts for advection dominated situations even for mod­erate Courant numbers. All the FCT models can be extended to multidimensions using a dimensional-split approach while FCT3 can be made fully multidimensional. It is observed that a dimensional-split approach allows use of higher Courant numbers while tracking the fronts accurately for the cases studied. The capability of the FCT2 model is demonstrated in handling situations where the flow is not aligned along the grid direction. It is observed that FCT2 method is devoid of grid orientation error, which is a common problem for many numerical methods based on Cartesian co-ordinate system. The hybrid FCT2 numerical model which is observed to perform better among the three FCT models is extended to model transport of sorbing solutes. The present study analyses the case of nonlinear sorption with a view to extend the model for any reactive transport situation wherein the chemical reactions are nonlinear in nature. A two step approach is adopted in the present study for coupling the partial differential equation gov­erning the transport and the nonlinear algebraic equation governing the equilibrium sorp­tion. The suitability of explicit-implicit (EI - form) formulation for obtaining accurate solution coupling the transport equation with the nonlinear algebraic equation solved using a Newton-Raphson method is demonstrated. The performance of the numerical model is tested for a range of Peclet numbers for modelling self-sharpening and self-smearing con­centration profiles resulting from nonlinear sorption. It is observed that FCT2 model based on this formulation simulates the fronts quite accurately for both advection and dispersion dominated situations. The delay in the solute mobility and additional dispersion are anal­ysed varying the statistical parameters characterising the heterogeneity namely, correlation scale and variance during the transport of solutes and comparisons are drawn with invariant, cases. The impact of dispersion during the heterogeneous transport is discussed.

Analysis of flow and solute transport problem in porous media are affected by uncertainty inbuilt both in boundary conditions and spatial variability in system parameters. The experimental investigation reveals that the parameters may vary in various scales by several orders. These affect the solute plume characteristics in field-scale problem and cause uncertainty in the prediction of concentration. The main focus of the present thesis is to analyze the probabilistic behavior of solute concentration in three dimensional(3-D) heterogeneous porous media. The framework for the probabilistic analysis has been developed using perturbation approach for both spectral based analytical and finite element based numerical method. The results of the probabilistic analysis are presented either in terms of solute plume characteristics or prediction uncertainty of the concentration. After providing a brief introduction on the role of stochastic analysis in subsurface hydrology in chapter 1, a detailed review of the literature is presented to establish the existing state-of-art in the research on the probabilistic analysis of flow and transport in simple and complex heterogeneous porous media in chapter 2. The literature review is mainly focused on the methods of solution of the stochastic differential equation. Perturbation based spectral method is often used for probabilistic analysis of flow and solute transport problem. Using this analytical method a nonlocal equation is solved to derive the expression of the spatial plume moments. The spatial plume moments represent the solute movement, spreading in an average sense. In chapter 3 of the present thesis, local dispersivity if also assumed to be random space function along with hydraulic conductivity. For various correlation coefficients of the random parameters, the results in terms of the field scale effective dispersivity are presented to demonstrate the effect of local dispersivity variation in space. The randomness of local dispersivity is found to reduce the effective fields scale dispersivity. The transverse effective macrodispersivity is affected more than the longitudinal effective macrodispersivity due to random spatial variation of local dispersivity. The reduction in effective field scale longitudinal dispersivity is more for positive correlation coefficient. The applicability of the analytical method, which is discussed in earlier chapter, is limited to the simple boundary conditions. The solution by spectral method in terms of statistical moments of concentration as a function of space and time, require higher dimensional integration. Perturbation based stochastic finite element method(SFEM) is an alternative method for performing probabilistic analysis of concentration. The use of this numerical method for performing probabilistic analysis of concentration. The use of this numerical method is non common in the literature of stochastic subsurface hydrology. The perturbation based SFEM which uses FEM for spatial discretization of the steady state flow and Laplace transform for the solute transport equation, is developed in chapter 4. The SFEM is formulated using Taylor series of the dependent variable upto second-order term. This results in second-order accurate mean and first-order accurate standard deviation of concentration. In this study the governing medium properties viz. hydraulic Conductivity, dispersivity, molecular diffusion, porosity, sorption coefficient and decay coefficient are considered to vary randomly in space. The accuracy of results and computational efficiency of the SFEM are compared with Monte Carle Simulation method(MCSM) for both I-D and 3-D problems. The comparison of results obtained hby SFEM and MCSM indicates that SFEM is capable in providing reasonably accurate mean and standard deviation of concentration. The Laplace transform based SFEM is simpler and advantageous since it does not require any stability criteria for choosing the time step. However it is not applicable for nonlinear transport problems as well as unsteady flow conditions. In this situation, finite difference method is adopted for the time discretization. The first part of the Chapter 5, deals with the formulation of time domain SFEM for the linear solute transport problem. Later the SFEM is extended for a problem which involve uncertainty of both system parameters and boundary/source conditions. For the flow problem, the randomness in the boundary condition is attributed by the random spatial variation of recharge at the top of the domain. The random recharge is modeled using mean, standard deviation and 2-D spatial correlation function. It is observed that even for the deterministic recharge case, the behavior of prediction uncertainty of concentration in the space is affected significantly due to the variation of flow field. When the effect of randomness of recharge condition is included, the standard deviation of concentration increases further. For solute transport, the concentration input at the source is modeled as a time varying random process. Two types of random source at the source is modeled as a time varying random process. Two types of random source condition are considered, firstly the amount of solute mass released at uniform time interval is random and secondly the source is treated as a Poission process. For the case of multiple random mass releases, the stochastic response function due to stochastic system is obtained by using SFEM. Comparing the results for the two type of random sources, it sis found that the prediction uncertainty is more when it is modeled as a Poisson process. The probabilistic analysis of nonlinear solute transport problem using MCSM is often requires large computational cost. The formulation of the alternative efficient method, SFEM, for nonlinear solute transport problem is presented in chapter 6. A general Langmuir-Freundlich isotherm is considered to model the equilibrium mass transfer between aqueous and sorbed phase. In the SFEM formulation, which uses the Taylor Series expansion, the zeroth-order derivatives of concentration are obtained by solving nonlinear algebraic equation. The higher order derivatives are obtained by solving linear equation. During transport, the nonlinear sorbing solutes is characterized by sharp solute fronts with a traveling wave behavior. Due to this the prediction uncertainty is significantly higher. The comparison of accuracy and computational efficiency of SFEM with MCSM for I-D and 3-D problems, reveals that the performance of SFEM for nonlinear problem is good and similar to the linear problem. In Chapter 7, the nonlinear SFEM is extended for probabilistic analysis of biodegrading solute, which is modeled by a set of PDEs coupled with nonlinear Monod type source/sink terms. In this study the biodegradation problem involves a single solute by a single class of microorganisms coupled with dynamic microbial growth is attempted using this methods. The temporal behavior of mean and standard deviation of substrate concentration are not monotonic, they show peaks before reaching lower steady state value. A comparison between the SFEM and MCSM for the mean and standard deviation of concentration is made for various stochastic cases of the I-D problem. In most of the cases the results compare reasonably well. The analysis of probabilistic behavior of substrate concentration for different correlation coefficient between the physical parameters(hydraulic conductivity, porosity, dispersivity and diffusion coefficient) and the biological parameters(maximum substrate utilization rate and the coefficient of cell decay) is performed. It is observed that the positive correlation between the two sets of parameters results in a lower mean and significantly higher standard deviation of substrate concentration. In the previous chapters, the stochastic analysis pertaining to the prediction uncertainty of concentration has been presented for simple problem where the system parameters are modeled as statistically homogeneous random. The experimental investigations in a small watershed, point towards a complex in geological substratum. It has been observed through the 2-D electrical resistivity imaging that the interface between the layers of high conductive weathered zone and low conductive clay is very irregular and complex in nature. In chapter 8 a theoretical model based on stochastic approach is developed to stimulate the complex geological structure of the weathered zone, using the 2-D electrical image. The statistical parameters of hydraulic conductivity field are estimated using the data obtained from the Magnetic Resonance Sounding(MRS) method. Due to the large complexity in the distribution of weathered zone, the stochastic analysis of seepage flux has been carried out by using MCSM. A batter characterization of the domain based on sufficient experimental data and suitable model of the random conductivity field may help to use the efficient SFEM. The flow domain is modeled as (i) an unstructured random field consisting of a single material with spatial heterogeneity, and (ii) a structured random field using 2-D electrical imaging which is composed of two layers of different heterogeneous random hydraulic properties. The simulations show that the prediction uncertainty of seepage flux is comparatively less when structured modeling framework is used rather than the unstructured modeling. At the end, in chapter 9 the important conclusions drawn from various chapters are summarized.