Esta dissertação apresentou um estudo dos mecanismos de transporte de sódio, fosfato e amônio em colunas indeformadas de material inconsolidado residual de arenitos da Formação Adamantina. Em campo foi realizada caracterização táctil visual do material, alem de ensaios de condutividade hidráulica. Em laboratório, realizou-se ensaio de coluna em material indeformado, para que fossem obtidos os parâmetros de fluxo de água: velocidade linear media, velocidade de Darcy, vazão e condutividade hidráulica. Também foram obtidos os coeficientes de dispersão hidrodinâmica dos três íons estudados por meio de quatro métodos. Os fatores de retardamento dos íons foram obtidos por meio de três métodos. Para auxiliar nas analises, o solo foi caracterizado mineralógica, química, física e físico-quimicamente. Adicionalmente foram feitas analises da poro simetria e estudo das trajetórias de transporte. As informações foram integradas para que fosse possível analisar os parâmetros de transporte de solutos no solo. Com esta pesquisa percebeu-se que o uso dos parâmetros de transporte em modelagem do transporte de contaminantes deve ser feito com cautela, observando tanto as características do solo (mineralógicas, físicas, físico-químicas) quanto os modelos conceituais e as limitações dos métodos utilizados. / This research aimed to study the transport mechanisms of sodium, phosphate and ammonium in undisturbed columns of unconsolidated residual material of the sandstones from the Adamantina Formation. At field, visual and tactile characterization of the material were performed as well as hydraulic conductivity tests . At laboratory, there were made column tests in undisturbed samples to obtain the parameters of water flow, i.e., average linear velocity, Darcy velocity, flow rate and hydraulic conductivity. Hydrodynamic dispersion coefficients of every studied ion were determined using four methods. The retardation factors of the three ions were obtained using three methods. To assist the analysis, the soil was mineralogical, chemistry, physically and physic-chemically characterized. We also analyzed the water retention curve, mercury intrusion porosimetry and solute transport trajectories. All available data were integrated for analyzing the parameters of solute transport in soil. The results showed that the use of transport parameters in modeling of contaminant transport should be done with caution, observing soil characteristics, the conceptual models and the limitations of the methods used.

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No. of bitstreams: 2 Tese - Fernando Ernesto Ucker - 2015.pdf: 2298051 bytes, checksum: d8ba74457fe737b3f2a05b9a4183e681 (MD5) license_rdf: 19874 bytes, checksum: 38cb62ef53e6f513db2fb7e337df6485 (MD5) Previous issue date: 2015-08-17 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPES / In the state of Goiás sugarcane cultivation has expanded into areas of sandy soil, known as fragile because of their high risk of degradation. Potassium is a vital nutrient used in the cultivation of sugarcane and has been applied to these cultivated soils. Little is known about the mobility of the potassium ion in such soils. This thesis set out to assess the vertical movement of potassium in Quartz-sand Neosols found in an area of the Araucária farm, in the municipality of Mineiros, Goiás, which is under two types of regime: sugarcane cultivation and Cerrado vegetation. The movement of this nutrient was studied on the basis of three experiments: 1st) a laboratory experiment with columns. Soil samples were sent to the Hydraulics Laboratory at the Pontifical Catholic University of Goiás where the experiment with columns was performed in triplicate for each type of soil management. Each 100 cm high column was sectioned into rings of 10 cm in height by 7.5 cm in diameter. A total of 105 mg of K2O, in the form of KCl, was applied to the surface layer. Over the next ten days, deionized water was applied to each column, the equivalent of 600 mm precipitation at the end. The leachate effluent was collected periodically and sent for potassium content analysis. At the end of the ten-day period, the columns were dismantled, and the soil in each ring was collected and sent for analysis of potassium, organic matter and pH levels. The mean values of potassium were submitted to descriptive analysis and a t test (α = 0.05); 2nd) a field experiment under two types of water regime, natural and controlled. In the natural water regime, rectangular metal troughs measuring 0.5 m2 were made. Three were installed in soil under sugarcane cultivation and another three in the same soil under Cerrado vegetation. Witness soil samples were collected in November 2013, before the onset of the rainy season in that region. After this initial collection, the equivalent of 120 kg ha-1 of K2O in the form of KCl was applied to the soil, and left for the full wet season, until the end of April of the following year. After that, soil samples were collected from the troughs at each level of 10 cm to a depth of 100 cm. The analysis of potassium movement under the controlled water regime took place in November 2013. The areas assessed were the same as those of the natural water regime. For this study concentric rings were used to delimit the area and ensure a vertical flow of the water applied. The equivalent of 600 mm of water was applied within the internal ring. After 24 hours the same amount of K+ as was applied in the natural regime and water equivalent to 600 mm of accumulated rain were applied. After 48 hours, soil sampling was carried out with a Dutch auger at levels of 10 cm to a depth of 100 cm. The soil samples collected in the field were sent for analysis in terms of total sand, silt, total clay, K+, pH and organic matter, and; 3rd) the field experiment with biennial evaluation of potassium movement. This experiment involved two parallel stretches of Quartz-sand Neosols along a slope, one with Cerrado vegetation and the other with sugarcane cultivation. In each of these stretches a transect with ten sampling points, each 30 m apart, was established and samples were collected at each point. Composite samples were collected in the two areas under study at depths of 0-20, 20-40, 40-60, 100-120 and 160-180 cm. After collection, the samples were bagged and appropriately identified, then forwarded for analysis to the Embrapa Soils Laboratory in Rio de Janeiro. The collections were made in November 2011 and 2012, the beginning of the rainy season in the region under study, and in April 2012 and 2013, the end of the rainy season, yielding a two-year evaluation period. In the laboratory, the samples were analyzed for cation exchange capacity, pH and organic matter, as well as for potassium. It was concluded from the first experiment that in the Quartz-sand Neosols there could be a significant loss of K+ after applying potassium to the soil. An increase of more than 1% in organic matter content could positively influence K+ retention in this type of soil. It was concluded from the second experiment that there was a significant movement of potassium levels to lower layers in the natural water regime after the accumulated rainfall of 1638 mm, both in the soil under cultivation and under Cerrado vegetation. From the third experiment it was concluded that the potassium ion behaved differently in the two soil regimes, sugarcane cultivation and Cerrado vegetation, and an increase in the nutrient was seen in layers of more than 100 cm in depth. / No Estado de Goiás o cultivo da cana-de-açúcar tem se expandido para áreas com solos arenosos, denominados frágeis por seus altos riscos a degradação. Potássio é um importante nutriente utilizado no cultivo da cana-de-açúcar e tem sido aplicado nesses solos sob cultivo. Pouco se conhece sobe a mobilidade do íon potássio em tais solos. Esta tese teve o objetivo de avaliar a movimentação vertical de potássio em Neossolo Quartzarênico encontrado em área da Fazenda Araucária, localizada na região do município de Mineiros-GO, que se encontra sob dois tipos de usos: sob o cultivo de cana-de-açúcar e sob vegetação de Cerrado. A movimentação deste nutriente foi estudada a partir de três experimentos: 1°) experimento laboratorial com colunas. Amostras de solo foram encaminhadas para o Laboratório de Hidráulica da Pontifícia Universidade Católica de Goiás onde o experimento com colunas foi realizado em triplicata para cada tipo de uso. Cada coluna possuía 100 cm de altura e foi seccionada em anéis de 10 cm de altura por 7,5 cm de diâmetro. Cada coluna recebeu acima da camada superficial, 105 mg de K+, na forma de KCl. Durante dez dias seguidos foi aplicada água deionizada em cada coluna, representando ao final uma precipitação de 600 mm. O efluente lixiviado foi coletado periodicamente e encaminhado para análise do teor de potássio. Ao final dos dez dias as colunas foram desmontadas e o solo foi coletado em cada anel e encaminhado para análise de teores de potássio, matéria orgânica e pH. As médias dos valores de potássio foram submetidas a análise descritiva e teste t (α = 0,05); 2°) experimento em campo sob dois tipos de regime hídrico, natural e controlado. No regime hídrico natural, calhas metálicas retangulares foram confeccionadas com área de 0,5 m2. Três calhas foram instaladas em solo sob cultivo com cana-de-açúcar e outras três calhas no mesmo solo sob Cerrado. Amostras de solo testemunhas foram coletadas em novembro de 2013, antes do início do período chuvoso na região. Após coleta inicial, foi aplicado sobre o solo o equivalente a 80 kg ha-1 de K+ na forma de KCl, e aguardou-se todo o período chuvoso, com fim em abril do ano seguinte. Após isto, amostras de solo foram coletadas no interior das calhas a cada 10 cm até a profundidade de 100 cm. A avaliação da movimentação de potássio sob regime hídrico controlado foi realizada em novembro de 2013 e as áreas avaliadas foram as mesmas do regime hídrico natural. Para esse estudo foram utilizados anéis concêntricos para delimitação da área e para garantir fluxo vertical da água aplicada. Aplicou-se no interior do anel interno o equivalente a 600 mm de água. Após 24 horas aplicou-se a mesma quantidade de K+ do regime natural e água equivalente a 600 mm de chuva acumulada. Após 48 horas procedeu-se a amostragem do solo a cada 10 cm até a profundidade de 100 cm com uso de trado holandês. As amostras de solo coletadas em campo foram encaminhadas para avaliação quanto aos teores de K+, pH e matéria orgânica e; 3º) experimento em campo com avaliação bianual da movimentação vertical do potássio. Nesse experimento foram considerados como tratamento duas faixas paralelas de um Neossolo Quartzarênico dispostas ao longo da vertente, sendo uma com vegetação de Cerrado e outra com cultivo de cana-de-açúcar. Em cada uma das faixas foi estabelecido um transecto com dez pontos de amostragem, espaçados de 30 m entre si, onde repetiu-se a coleta de amostras em cada ponto. Amostras compostas foram coletadas nas duas áreas estudadas nas profundidades de 0-20, 20-40, 40-60, 100-120 e 160-180 cm. Após a coleta, as amostras foram ensacadas e devidamente identificadas, sendo então encaminhadas ao Laboratório de Solos da Embrapa Solos – RJ para análise. As coletas ocorreram em novembro de 2011 e 2012, período que significa início da estação chuvosa na região de estudo e abril de 2012 e 2013, período correspondente ao final da estação chuvosa, totalizando dois anos de avaliação. Em laboratório, as amostras foram submetidas à análise da capacidade de troca catiônica, pH e matéria orgânica, além de potássio. Do primeiro experimento concluiu-se que em Neossolo Quartzarênico pode haver significativa perda de K+ após aplicação de potássio no solo. O aumento do teor de matéria orgânica acima de 1% pode influenciar positivamente a retenção de K+ neste tipo de solo. Do segundo experimento concluiu-se que houve movimento significativo dos teores de potássio para camadas inferiores em regime hídrico natural após precipitação acumulada de 1.638 mm, tanto no solo sob lavoura quanto no solo sob Cerrado. Já do terceiro experimento concluiu-se que o íon potássio teve comportamento distinto para o solo cultivado com cana-de-açúcar em relação ao solo sob Cerrado, e verificou-se acréscimo do nutriente em camadas superiores a 100 cm de profundidade.

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.

Modéliser les phénomènes de transport de solutés organiques en milieux poreux colonisés par des populations bactériennes se développant sous forme de biofilms est un domaine de recherche important pour un certain nombre d’applications environnementales, comme par exemple pour les méthodes de bioremédiation des sols et des eaux contaminés par des polluants organiques (biosparging, bio-barrières …). Les biofilms, qui sont composés principalement de bactéries et de substances polymériques extracellulaires, peuvent se développer sur les parois de grains d’un milieu poreux. Le métabolisme bactérien dégrade les solutés organiques et contribue ainsi à la diminution de la contamination. Le transport bio-réactif de composés organiques dans un milieu poreux incluant un biofilm est un problème fortement multi-échelle (depuis l’échelle de la bactérie jusqu’à l’échelle de l’aquifère) et fortement couplé (avec des phénomènes hydrodynamiques, physico-chimiques et biochimiques). Le soluté organique est transporté par convection et diffusion dans la phase fluide et diffuse dans la phase biofilm, où il est dégradé par le métabolisme bactérien. Le but de ce travail est de développer des modèles de transport bio-réactif définis à l’échelle de Darcy à partir des données disponibles à l’échelle du pore, en adoptant la méthode de changement d’échelle dite de prise de moyenne volumique. Dans le cas général, une telle approche conduit à un modèle macroscopique de transport à deux équations couplées (une équation par phase de transport). En considérant les relations entre les concentrations moyennées dans chaque phase, plusieurs régimes de transport permettant de dégénérer ce modèle en modèle à une seule équation peuvent être identifiés. L’hypothèse d’équilibre de masse local conduit à un tel modèle simplifié. En condition de non-équilibre, deux cas limites permettent également de développer des modèles de transport à une équation : le cas où le taux de biodégradation est contrôlé par le transfert de masse externe et le cas ou il est contrôlé par la cinétique de réaction. L’utilisation de ces quatre modèles implique la résolution numérique de problèmes de fermeture, afin d’évaluer les paramètres macroscopiques de transports (tenseur de dispersion, taux de dégradation …). Des calculs de coefficients effectifs ont été effectués dans différentes conditions de transport afin d’étudier leur comportement. Les résultats de ces modèles ont été comparés avec ceux obtenus par simulations directe à l’échelle microscopique pour une géométrie de pore bidimensionnelle stratifiée. À partir de ces comparaisons, les domaines de validité de chaque modèle ont été identifiés en termes de conditions hydrodynamique et biochimique de transport. (i.e. le nombre de Péclet et le nombre de Damköhler). Le développement d’un modèle expérimental de transport en milieux poreux incluant un biofilm a également été entamé, afin d’une part d’effectuer une validation expérimentale des modèles numériques préalablement développés et d’autre part de fournir un outil supplémentaire pour l’étude des phénomènes considérés / Modeling transport in porous media of organic chemical solute in presence of a bacterial population growing as biofilms is an important area of research for environmental applications, for example for remediation of groundwater contaminated by organic pollutants (biosparging, bio-barriers …). Biofilms, which are composed of bacteria and extracellular organic substances, grow on the pore walls of the porous medium. Bacteria degrade the organic solute by their metabolism and thus may contribute to pollution decrease. Bio-reactive transport of an organic solute in a porous medium including a biofilm phase is a strongly multi-scale (from the bacteria scale to the heterogeneity scale of the aquifer) and coupled (involving hydrodynamic, physicochemical and biochemical phenomena) process. The organic solute is transported by convection and diffusion in the fluid phase and diffuses into the biofilm phase, where it is degraded by bacterial metabolism. The goal of this work is to develop macroscopic models of bio-reactive transport at the Darcy-scale through volume averaging based on the data available at pore-scale. In the general case, the macroscopic system obtained by averaging pore-scale equations is a two coupled equations system (one equation for each phase), called two-equation model. By considering the relation between averaged concentration in the fluid phase and averaged concentration in the biofilm phase, several regimes of transport can be found which allow simplifying this system into a one equation system. The local mass equilibrium assumption leads to such a simplified model. When an equilibrium relationship between phases cannot be considered, a one equation model may though be developed if the biodegration rate is limited by external mass transfer or by the kinetics of bacterial metabolism. The use of these models implies the numerical solving of closure problems, in order to set up the values of the macroscopic transport parameters (dispersion tensor, interfacial flux …). Computations of these effective coefficients have been performed in different situations of mass transport in porous medium in order to study their behaviour. The results of these models have then been compared with direct simulations performed on a simplified geometry representative of a two-dimensional porous medium including a biofilm phase. Based on these comparisons, the validity domain of this model has been identified in terms of hydrodynamic and biochemical conditions of transport (i.e. the Péclet number and the Damköhler number). The set up of an experimental model of transport in a porous media including a biofilm phase has also been started, in order to make experimental validations of the previously developed numerical models and to build up an additional tool to study the considered phenomena

京都大学 / 0048 / 新制・論文博士 / 博士(農学) / 乙第13021号 / 論農博第2831号 / 新制||農||1042(附属図書館) / 学位論文||H28||N4967(農学部図書室) / 32949 / 京都大学大学院農学研究科地域環境科学専攻 / (主査)教授 藤原 正幸, 教授 村上 章, 准教授 宇波 耕一 / 学位規則第4条第2項該当 / Doctor of Agricultural Science / Kyoto University / DFAM

The modelling of the processes of advection and dispersion-diffusion is the most crucial factor in solute transport simulations. It is generally appreciated that the first order upwind difference scheme gives rise to excessive numerical diffusion, whereas the conventional second order central difference scheme exhibits severe oscillations for advection dominated transport, especially in regions of high solute gradients or discontinuities. Higher order schemes have therefore become increasingly used for improved accuracy and for reducing grid scale oscillations. Two such schemes are the QUICK (Quadratic Upwind Interpolation for Convective Kinematics) and TOASOD (Third Order Advection Second Order Diffusion) schemes, which are similar in formulation but different in accuracy, with the two schemes being second and third order accurate in space respectively for finite difference models. These two schemes can be written in various finite difference forms for transient solute transport models, with the different representations having different numerical properties and computational efficiencies. Although these two schemes are advectively (or convectively) stable, it has been shown that the originally proposed explicit QUICK and TOASOD schemes become numerically unstable for the case of pure advection. The stability constraints have been established for each scheme representation based upon the von Neumann stability analysis. All the derived schemes have been tested for various initial solute distributions and for a number of continuous discharge cases, with both constant and time varying velocity fields. The 1-D QUICKEST (QUICK with Estimated Streaming Term) scheme is third order accurate both in time and space. It has been shown analytically and numerically that a previously derived quasi 2-D explicit QUICKEST scheme, with a reduced accuracy in time, is unstable for the case of pure advection. The modified 2-D explicit QUICKEST, ADI-TOASOD and ADI-QUICK schemes have been developed herein and proved to be numerically stable, with the bility sta- region of each derived 2-D scheme having also been established. All these derived 2-D schemesh ave been tested in a 2-D domain for various initial solute distributions with both uniform and rotational flow fields. They were further tested for a number of 2-D continuous discharge cases, with the corresponding exact solutions having also been derived herein. All the numerical tests in both the 1-D and 2-D cases were compared with the corresponding exact solutions and the results obtained using various other difference schemes, with the higher order schemes generally producing more accurate predictions, except for the characteristic based schemes which failed to conserve mass for the 2-D rotational flow tests. The ADI-TOASOD scheme has also been applied to two water quality studies in the U. K., simulating nitrate and faecal coliform distributions respectively, with the results showing a marked improvement in comparison with the results obtained by the second order central difference scheme. Details are also given of a refined numerical representation of flooding and drying of tidal flood plains for hydrodynamic modelling, with the results showing considerable improvements in comparison with a number of existing models and in good agreement with the field measured data in a natural harbour study.

The longitudinal solute transport modeling is critical in river and stream water quality management, control, and the mitigation of hazardous riverine spills. One of the widely used "deadzone" model is the transient storage model (TSM). TSM is a significant improvement over the advection-dispersion model (ADM), but it cannot simulate the breakthrough curve (BTC) immediately after a large pool. Additionally, the calibration (parameterization) method is challenged by the non-identifiability which is common to all inverse modeling, and it seems TSM cannot be easily used as a predictive tool, more of an interpretive tool of solute transport, i.e., is the parameter set calibrated via inverse modeling transferable? Pools are fundamental stream morphology unit in streams with mixed bed materials in pool-riffle or pool-step sequences. Understanding of how a pool impacts the longitudinal solute transport is the first step towards improving current model such as TSM or developing new models. By introducing a dimensionless group, e= Q/(Dt W) (where, Q is the average volumetric flow rate; Dt is an average transverse dispersion coefficient; W is the channel flow width), derived from non-dimensionalization of the governing equations of one of the most rigorous 2-dimansional (2D) (depth-averaged) model, Mike21, this work presents an alternative way of longitudinal solute transport investigation. Using the 2D fully hydrodynamic Mike21, numerical experiments were conducted on hypothetical streams in this dissertation. Simulation study on hypothetical stream with pool reveals that a pool's effects on longitudinal solute transport are manifested by three aspects: boosting longitudinal spreading (concentration peak attenuation), causing a solute plume delay and increasing solute residence time. These effects fade like a "wake" as the solute plume moves downstream. e provides an insight into the physics of longitudinal transport; it outlines a relative transverse mixing intensity of a stream. The internal transport and mixing condition (including the secondary circulations) in a pool together with the pool's dimensions determine the pool's storage effects especially when e >>1. The BTCs downstream from a pool may be "heavy tailed" (i.e., have enormously slow decaying rate) which cannot be modeled by the TSM. Results also suggest that the falling limb of a BTC more accurately characterizes the pool's storage effects because the corresponding solute has more chance to sample the entire storage area. n a more fundamental perspective, the predictive ability of inverse modeling parameterized model is discussed and conclusion is made about the role of a stream/river system's nonlinearity in determining the predictability; a misleading mis-nomenclature in TSM application is also demonstrated with a numerical experiment. / Civil Engineering

<p>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.</p><p>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.</p><p>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.</p> / <p>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.</p><p>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.</p><p>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.</p>

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<p>Ecohydrological models are extensively used to evaluate land use, land management and climate change impacts on hydrology and in-stream water quality conditions. The scale at which these models operate influences the complexity of processes incorporated within the models. For instance, a large scale hydrological model such as Soil and Water Assessment Tool (SWAT) that runs on a daily scale may ignore the sub-daily scale in-stream processes. The key processes affecting in-stream solute transport such as advection, dispersion and transient storage (dead zone) exchange can have considerable effect on the predicted stream solute concentrations, especially for localized studies. To represent realistic field conditions, it is therefore required to modify the in-stream water quality algorithms of SWAT by including these additional processes. Existing reach-scale solute transport models like OTIS (One-dimensional Transport with Inflow and Storage) considers these processes but excludes the actual biochemical reactions occurring in the stream and models nutrient uptake using an empirical first-order decay equation. Alternatively, comprehensive stream water quality models like QUAL2E (The Enhanced Stream Water Quality Model) incorporates actual biochemical reactions but neglects the transient storage exchange component which is crucial is predicting the peak and timing of solute concentrations. In this study, these two popular models (OTIS and QUAL2E) are merged to integrate all essential solute transport processes into a single in-stream water quality model known as ‘Enhanced OTIS model’. A generalized model with an improved graphical user interface was developed on MATLAB platform that performed reasonably well for both experimental data and previously published data (R²=0.76). To incorporate this model into large-scale hydrological models, it was necessary to find an alternative to estimate transient storage parameters, which are otherwise derived through calibration using experimental tracer tests. Through a meta-analysis approach, simple regression models were therefore developed for dispersion coefficient (D), storage zone area (A_s) and storage exchange coefficient (α) by relating them to easily obtainable hydraulic characteristics such as discharge, velocity, flow width and flow depth. For experimental data from two study sites, breakthrough curves and storage potential of conservative tracers were predicted with good accuracy (R²>0.5) by using the new regression equations. These equations were hence recommended as a tool for obtaining preliminary and approximate estimates of D, A_s and α when reach-specific calibration is unfeasible. </p> <p> </p> <p>The existing water quality module in SWAT was replaced with the newly developed ‘Enhanced OTIS model’ along with the regression equations for storage parameters. Water quality predictions using the modified SWAT model (Mir-SWAT) for a study catchment in Germany showed that the improvements in process representation yields better results for dissolved oxygen (DO), phosphate and Chlorophyll-a. While the existing model simulated extreme low values of DO, Mir-SWAT improved these values with a 0.11 increase in R² value between modeled and measured values. No major improvement was observed for nitrate loads but modeled phosphate peak loads were reduced to be much closer to measured values with Mir-SWAT model. A qualitative analysis on Chl-<i>a</i> concentrations also indicated that average and maximum monthly Chl-<i>a</i> values were better predicted with Mir-SWAT when compared to SWAT model, especially for winter months. The newly developed in-stream water quality model is expected to act as a stand alone model or coupled with larger models to improve the representation of solute transport processes and nutrient uptake in these models. The improvements made to SWAT model will increase the model confidence and widen its extent of applicability to short-term and localized studies that require understanding of fine-scale solute transport dynamics. </p>