Heterogeneities in fractured rock are found at all scales; from the scale of individual fractures, to the scale of fracture networks, and to the largest regional scales. These heterogeneities cause challenges for modelling and parameter estimation of flow and solute transport. The heterogeneities in fracture aperture, characterization of the flow channelling they are causing, and implementation of this information into numerical simulation models of the solute transport in fractured media are the subjects of this thesis. Aperture variability within a fracture causes the flow channelling, where the water flow is focused in a few channels and other areas of the fracture have practically stagnant water. The flow-wetted surface is the area where the flowing water is in contact to the fracture area. Contaminants are transported with the flowing water and therefore the flow-wetted surface is an important parameter that influences the diffusion into the rock matrix and sorption to the fracture rock surface. The specific flow-wetted surface (sFWS) is the flow-wetted surface divided by the total fracture area. The sFWS is systematically analyzed for different fracture aperture distribution characteristics. The local aperture is linked to the local hydraulic conductivity K. Increasing standard deviation of the hydraulic conductivity K field (σln K) leads to decreased sFWS. The sFWS is found to be independent of the correlation length (λ) of the field. An empirical relationship is developed, which describes the sFWS as a function of the σln K. A method is also introduced to determine this key parameter by analysis of the breakthrough curve from a single-well injection-withdrawal (SWIW) test. Further, an approach is presented to incorporate the effect of fracture level heterogeneity into fracture network models and to analyze the effect on sorption and matrix diffusion, by including the sFWS parameter into the transport calculations. The results show that the median transport time is proportional to the square of the sFWS-value. The results also suggest that there are an averaging behaviour in the fracture network, the sFWS-value of each individual fracture is not important for the transport over the domain, but a mean-value can be utilized in the numerical model. / Heterogeniteter i sprickigt berg finns i alla skalor, från millimeterskala till en skala på hundratals kilometer. Dessa heterogeniteter orsakar problem vid beräkning av vattenflöde och ämnestransport. Aperturen i en spricka är öppningen mellan de två omslutande bergsidorna, den varierar både inom och mellan olika sprickor. Ämnet för denna avhandling är heterogeniteter i aperturerna inom enskilda sprickor, karaktärisering av den flödeskanalisering som uppstår på grund av dessa heterogeniteter och hur man kan använda denna information till en numerisk modell.Variabilitet av aperturen i en enskild spricka gör att vattenflödet blir fokuserat i ett fåtal kanaler, medan andra områden av sprickan kan ha praktiskt taget stillastående vatten. Den flödesvätta ytan är det område där det strömmande vattnet kommer i kontakt med sprickytan. Den flödesvätta ytan som påverkar diffusionen in i bergmatrisen och sorptionen till sprickytan är en viktig parameter eftersom föroreningar transporteras med det strömmande vattnet. Den specifika flödesvätta ytan (sFWS) är den flödesvätta ytan dividerad med den totala sprickarean. I avhandlingen analyserades sFWS systematiskt för olika statistik över sprickaperturen. Den lokala aperturen är kopplad till den lokala hydrauliska konduktiviteten K. En ökad standardavvikelse för det hydrauliska konduktivitetsfältet (σln K) ledde till minskad sFWS. sFWS visades vara oberoende av konduktivitetsfältets korrelationslängd (λ). En empirisk relation utvecklades som beskriver sFWS som en funktion av σln K. Ett SWIW-test är en typ av spårämnesförsök, där ett spårämne injiceras i en brunn följt av vatten i en bestämd tidsperiod, innan flödet vänds och en genombrottskurva registreras. Testet används traditionellt för att bestämma bergets diffusions- och sorptionsegenskaper. En metod presenterades för att bestämma den specifika flödesvätta ytan genom analys av genombrottskurvan för ett SWIW-test. Ett tillvägagångssätt introducerades för att analysera effekterna av sorption och matrisdiffusion i heterogena sprickor i en spricknätverksmodell genom att inkludera sFWS-parametern i transportberäkningar. Resultaten visade att medianvärdet för transporttiden är proportionell mot kvadraten på sFWS-värdet. Resultaten visade också att transporten genom spricknätverket inte är beroende av sFWS-värdet i de individuella sprickorna, utan att medelvärdet kan användas för modellering.

A modification in an existing water uptake and solute transport numerical model was implemented in order to allow the model to simulate solute uptake by the roots. The convection-dispersion equation (CDE) was solved numerically, using a complete implicit scheme, considering a transient state for water and solute fluxes and a soil solute concentration dependent boundary for the uptake at the root surface, based on the Michaelis- Menten (MM) equation. Additionally, a linear approximation was developed for the MM equation such that the CDE has a linear and a non-linear solution. A radial geometry was assumed, considering a single root with its surface acting as the uptake boundary and the outer boundary being the half distance between neighboring roots, a function of root density. The proposed solute transport model includes active and passive solute uptake and predicts solute concentration as a function of time and distance from the root surface. It also estimates the relative transpiration of the plant, on its turn directly affecting water and solute uptake and related to water and osmotic stress status of the plant. Performed simulations show that the linear and non-linear solutions result in significantly different solute uptake predictions when the soil solute concentration is below a limiting value (Clim). This reduction in uptake at low concentrations may result in a further reduction in the relative transpiration. The contributions of active and passive uptake vary with parameters related to the ion species, the plant, the atmosphere and the soil hydraulic properties. The model showed a good agreement with an analytical model that uses a linear concentration dependent equation as boundary condition for uptake at the root surface. The advantage of the numerical model is it allows simulation of transient solute and water uptake and, therefore, can be used in a wider range of situations. Simulation with different scenarios and comparison with experimental results are needed to verify model performance and possibly suggest improvements. / Uma modificação em um modelo existente de extração de água e transporte de solutos foi realizada com o objetivo de incluir nele a possibilidade de simular a extração de soluto pelas raízes. Uma solução numérica para a equação de convecção-dispersão (ECD), que utiliza um esquema de resolução completamente implícito, foi elaborada e considera o fluxo transiente de água e solutos com uma condição de contorno à superfície da raiz de extração de soluto dependente de sua concentração no solo, baseada na equação de Michaelis- Menten (MM). Uma aproximação linear para a equação de MM foi implementada de tal forma que a ECD tem uma solução linear e outra não-linear. O modelo considera uma raiz singular com geometria radial sendo sua superfície a condição de contorno (limite) de extração e sendo o limite extremo a meia-distância entre raízes vizinhas, função da densidade radicular. O modelo de transporte de soluto proposto inclui extração de soluto ativa e passiva e prediz a concentração de soluto como uma função do tempo e da distância à superfície da raiz, além de estimar a transpiração relativa da planta, que por sua vez afeta a extração de água e solutos e é relacionado com a condição de estresse da planta. Simulações mostram que as soluções linear e não-linear resultam em predições de extração de solutos significativamente diferentes quando a concentração de solutos no solo está abaixo de um valor limitante (Clim). A redução da extração em baixas concentrações pode resultar em uma redução adicional na transpiração relativa. As contribuições ativa e passiva da extração de solutos variam com parâmetros relacionados à espécie de íon, à planta, à atmosfera e às propriedades hidráulicas do solo. O modelo apresentou uma boa concordância com um modelo analítico que aplica uma condição de contorno linear, à superfície da raiz, de extração de solutos dependente da concentração no solo. A vantagem do modelo numérico sobre o analítico é que ele permite simular fluxos transientes de água e solutos, sendo, portanto, possível simular uma maior gama de situações. Se faz necessário simulações com diferentes cenários e comparações com dados experimentais para se verificar a performance do modelo e, possivelmente, sugerir melhorias.

In the recent decades, therehave been frequent conflicts between groundwater waterresources and environmentally hazardous activities. Newmethodologies for aiding decision-making in groundwater impactassessment and protection areneeded and in which issues ofincreased awareness, better understanding of the groundwaterresources processes, and validation of predictive mathematicalmodels are addressed. A framework fordecision–aid, based on predictive simulations that a)predicts the environmental impacts b) provides the totaleconomical value c) visualises the impacts and the groundwaterproperties and d) describes the uncertainties in the results isproposed herein. The framework can be applied in environmentalimpact assessments, strategic environmental assessments andprotection and management of water resources. The results ofthe model are used as feedback for determining new scenarios,depending on the required uncertainties, and if the plannedactivity is sustainable, and/or fulfils the legislative andpolicy measures. This framework is applied to a particular casestudy, Nybroåsen, in the south-eastern part of Sweden,where the highway E22 is constructed through the importantglaciofluvial esker aquifer, passing the protection zone of thewater supply for the Kalmar municipality. The impacts from the new highwayand the existing road have been predicted by two-dimensionalphysically based time-variant flow and solute groundwatermodelling. The results, breakthrough curves of contaminantconcentration in wells and maps of concentration distributions,as well as travel times, flow paths, and capture zones forwells determined by particle tracking have been presented. The constructed model of theNybroåsen study area was calibrated by comparing observedand simulated groundwater levels for 15 observation wells forten years of measurements. The model has been evaluated bothgraphically and numerically and the calibration target wasfulfilled for 13 of the 15 observation wells. The model workincludes investigations of the catchment information, a waterbalance study, simulation of the groundwater recharge,consideration of the unsaturated zone by a numerical columnsimulation, and sensitivity analysis. From the sensitivity analysis ofthe flow and transport parameters, it has been shown that theuncertainties are mainly due to the hydraulic conductivity.Comparison of the derived conductivity from the steady-stateautomatic calibration and the time-variant calibration showedthat there are major differences in the derived parameters,which illustrates the importance of a time dependentcalibration over both wet and dry periods and in more than onepoint in the area of interest of the model predictions. In addition, a multi-criteriadecision analysis has been carried out for four roadalternatives (including the new highway E22) and the existingroad in the case study concerned. The multi-criteria decisionaid is applied as an illustration of how it can be used in thestudy area to identify a) interest groups of actors and theirconcerns b) ranking of alternative road scenarios according toactors’preferences and c) coalition groups of actorsi.e.groups that have similar views with regard to theroad alternatives. <b>Keywords:</b>Physically-based groundwater modelling,contamination, flow and solute transport, glaciofluvialdeposits, Nybroåsen, Sweden, and multi-criteriadecision-aid. / NR 20140805

Streams and rivers have been modified in the past centuries for agricultural purposes. The Baltic Sea suffers from problems regarding eutrophication. Regulations of point-sources have decreased nutrient levels, but for a scattered source of nutrient pollution, streams are important. One way of mitigating nitrogen is with coupled denitrification and nitrification processes when stream water is transported through flow paths in the hyporheic zone, an area in the stream sediments where groundwater and stream water mix. Tullstorps brook is an agricultural stream that flows into the Baltic Sea. It has had problems with high nutrient loads and poor water quality and has therefore been restored. The fieldwork in this project was conducted in Tullstorps brook in May 2019, where Rhodamine WT (RWT) tracer test and Hydraulic Conductivity (HC) measurements were done in 3 reaches, and compared to similar fieldwork since before restorations, during the summer of 2015. Two reaches in an agricultural setting that have been restored, Reach 4 and Reach 6, were measured, as well as a control reach, Reach 5, which is in a natural setting. The tracer tests indicated a significant decrease in the velocity in remediated reaches. The results of exchange velocity between the stream flow and the hyporheic zone suggest an increase after remediation of the reaches and the residence time seems to be decreasing simultaneously. When comparing the hydraulic characteristics, different stream flow during measurements was considered in a qualitative manner. The results of HC measurements show a decrease from 2015 to 2019 in the remediated reaches. In Reach 4 it decreased from 1.20E-03 m/s to 5.0E-4 m/s and in Reach 6, HC decreased from 7.70E-04 m/s before remediations to 5.6E-04 m/s after remediation actions. All the measurements have uncertainties, especially since homogeneity is assumed to some extent and the natural environment will always be heterogeneous.

Developing low-cost and effective technologies to upgrade phosphorus (P) removal from the catchment runoffs and rural wastewater treatment facilities is one of the main research agendas to save the Baltic Sea from eutrophication. In Sweden, the construction of the constructed wetlands has been one of the environmental objectives for wastewater quality improvement in the small communities. However, the insufficiently understanding of the mechanisms underlying the process of phosphorus mobility and sorption in the constructed wetlands has limited design of the effective constructed wetlands. To provide the better understanding of sorption process in the catchment and constructed wetland system, this thesis used the GIS-based Soil and Water Assessment Tool (SWAT) to predict phosphorus mobility and identify the critical diffusing sources of phosphorus loss in the Oxunda catchment (Paper I). Then, the study developed the three-dimensional numerical Reactive TRAnsPort Model (RETRAP - 3D) in the COMSOL Multiphysics® for evaluating the long - term sorption processes and removal efficiencies of the porous reactive media for upgrading the performance of constructed wetlands (Paper II and III). The latter model coupled many physics equations to solve process of water flow, reaction kinetics and solute transport in the porous reactive adsorbent media for application in the constructed wetlands. The data from the field measurements and column experiments have been used to demonstrate the model simulation accuracy to capture the process of phosphorus sorption in the real environment. Modeling results ranked the phosphorus removal efficiency of the adsorbent media as follows: Polonite® (88 %), Filtralite P® (85%), BFS (62%), Wollastonite (57 %). The satisfactory agreement which obtained between the simulated outputs and measured data confirmed that the SWAT and RETRAP-3D are useful tools for describing various processes in the complicated system. However, further study is required to generate and validate more experimental data to evaluate the sensitivity of local parameters. / <p>This reserch project was finacially supported by Lars Erik Lundberg scholarship foundation for projectnumber (2015/34 and 2016/12), ÅkeochGreta Lissheds Stiftelsen for project number (2015-00026), J.Gust. Richert Stiftelsen and Ecopool researchproject for smart and sustainable environment. QC 20170523</p>

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Wastewater treatment plants (WWTPs) play a vital role in protecting the environment from much of the waste produced by humans. This includes not only human waste, but everything that makes its way into a sewerage system including greywater, stormwater, and potentially hazardous chemicals from, inter alia, chemical spills. The effects of a chemical spill if it enters a WWTP can be disastrous, resulting in the ineffective treatment of incoming water for prolonged periods of time (Söhr, 2014). This can lead to one of the dilemmas of urban wastewater systems, notably, whether it is more damaging to allow a chemical spill to bypass a WWTP, or to attempt to treat all or some of the spill and risk damaging the microbes working in the biological treatment processes (Schütze, 2002). In order to better inform policy makers and process engineers at WWTPs of which measures to take in the event of a spill, solute transport characteristics of a specific sewerage network must be defined.  A series of tracer tests were performed along The Käppala Association’s northern sewerage network to determine these solute transport characteristics, notably the dispersion coefficient which strongly affects the level of dilution that occurs between the injection point and the inlet. A simple solute transport model, carried out in Excel, was created using the Advection-Dispersion Equation (ADE) and the Manning-Strickler equation to relate flow measurements to flow velocity. Results from the experiments show that a dispersion coefficient of 1.55m2/s appears to be applicable throughout the whole of the tunnel network. A depth dependent Manning-Strickler coefficient seems to describe the flow-velocity relationship, however, this method has not been validated. The ADE begins to lose accuracy in describing solute transport as the distance from the inlet and the number of pumping stations the plume goes through increases. / Avloppsreningsverk spelar en viktig roll för att skydda miljön från mycket av det avfall som produceras av människor. Detta inkluderar inte bara mänskligt avfall utan allt som tar sig in i ett avloppssystem, till exempel gråvatten, dagvatten och potentiellt farliga kemikalier från bland annat industriutsläpp. Effekterna av ett kemiskt utsläpp kan vara katastrofala om det kommer in i ett avloppsreningsverk, vilket resulterar i ineffektiv behandling av inkommande vatten under längre perioder (Söhr, 2014). Detta är ett dilemma i urbana avloppssystem – ska man låta ett kemiskt utsläpp ledas förbi ett avloppsreningsverk, eller försöka behandla hela eller en del av utsläppet och riskera att skada mikroberna i den biologiska reningsprocessen (Schütze, 2002). För att beslutsfattare och processingenjörer vid avloppsreningsverk ska kunna fatta rätt beslut om vilka åtgärder som ska vidtas vid utsläpp måste egenskaperna för det specifika avloppsnätet definieras.  Syftet med detta projekt är att uppskatta transportparametrar och karakterisera utspädning i nätverket genom att utföra en serie spårningsförsök i Käppalaverkets upptagningsområde. För att nå syftet fanns det flera mål som genomförts: Genomföra en litteraturstudie  Skapa en förutsägbar modell i Excel baserad på flödesdata längs Käppalaförbundets tunnelsystem Genomföra en serie spårningsförsök vid flera punkter längs tunnelsystemet  Strukturerad datalagring av resultaten så att data är lätt att hitta för framtida projekt  Metoderna kan delas i två: modellering och försök. För att skapa en modell och simulera transport av ett ämne i nätet får man definiera relevanta ekvationer. För den hydrauliska delen av modellen användes Manning-Strickler-ekvationen. Resultaten från detta användes sedan i den förenklade formen av advektion-spridningsekvationen (ADE). Tunnelsystemet uppdelades i flera sektioner med samma egenskaper såsom form och geometri, och en anpassad form av ADE användes emellan sektionerna. För att nå framgång i försöken krävdes att rätt spårämne valdes. Uranin användes i försöken på grund av sina ogiftiga och stabila egenskaper och den låga detektionsgränsen. Injiceringspunkterna låg gradvis längre bort från inloppet; Försök 1 var 9km från verket till nästan 46km vid Arlanda flygplats för Försök 3.  Resultaten från simuleringarna användes för att planera injiceringstid, start- och stopptid för provtagningen och provtagningsfrekvens. Resultatet från första försöket användes för att kalibrera modellen inför de andra försöken. Resultaten från alla försök visade att en dispersionskoefficient på 1.55m2/s, som är ett mått på utspädning i nätet, verkar tillämpligt till hela tunnelsystemet. Koefficienten kan dock vara högre i de kommunala näten. En djupberoende metod för att härleda Mannings tal formulerades, men det kräver ytterligare validering.  Från alla tre försöken kan vi härleda ett förhållande mellan avstånd från inlopp och toppkoncentration samt avstånd från inlopp och varaktigheten av genombrottskurvan. Toppkoncentration visar ett linjärt eller kanske logaritmiskt förhållande med distans, och varaktigheten av genombrottskurvan visar ett starkt linjärt förhållande. Kunskaper om detta är viktigt när man vill genomföra en riskbedömning av ett kemiskt utsläpp i upptagningsområdet eftersom det ger en insikt om hur det kan påverka den biologiska reningen i ett avloppsreningsverk.  Sammanfattningsvis fungerar den enkla formen av ADE bra, men viss avvikelse ses i experiment 3. Detta beror kanske på möjliga övergående lagringsprocesser vid pumpstationerna längs tunnelsystemet. En enda dispersionskoefficient, som är ett mått på utspädning, är tillämplig i hela huvudtunnelsystemet, men spridningen i kommunala nätverk är sannolikt högre. Ytterligare arbete behövs inom dessa kommunala nätverk för att kvantifiera deras effekter.  På grundval av resultaten från detta projekt rekommenderas ytterligare forskningsundersökningar om vad som händer med föroreningar i avloppsreningsverket. Eftersom slammet vid Käppalaverket används för biogasproduktion och är Revaq-certifierat för användning på jordbruksmark är föroreningsnivån i slammet mycket viktigt både ur produktivitets- och hälso- och säkerhetsperspektiv.

The applicability and adequacy of three modeling approaches to describe and predict breakthough curves (BTCs) for non-reactive solutes in statistically homogeneous porous media were numerically and experimentally investigated. Modeling approaches were: the convection-dispersion equation (CDE) with scale-dependent dispersivity, mobile-immobile model (MIM), and the fractional convection-dispersion equation (FCDE). In order to test these modeling approaches, a prototype laboratory column system was designed for conducting miscible displacement experiments with a free-inlet boundary. Its performance and operating conditions were rigorously evaluated. When the CDE with scale-dependent dispersivity is solved numerically for generating a BTC at a given location, the scale-dependent dispersivity can be specified in several ways namely, local time-dependent dispersivity, average time-dependent dispersivity, apparent time-dependent dispersivity, apparent distance-dependent dispersivity, and local distance-dependent dispersivity. Theoretical analysis showed that, when dispersion was assumed to be a diffusion-like process, the scale-dependent dispersivity was locally time-dependent. In this case, definitions of the other dispersivities and relationships between them were directly or indirectly derived from local time-dependent dispersivity. Making choice between these dispersivities and relationships depended on the solute transport problem, solute transport conditions, level of accuracy of the calculated BTC, and computational efficiency The distribution of these scale-dependent dispersivities over scales could be described as either as a power-law function, hyperbolic function, log-power function, or as a new scale-dependent dispersivity function (termed as the LIC). The hyperbolic function and the LIC were two potentially applicable functions to adequately describe the scale dependent dispersivity distribution in statistically homogeneous porous media. All of the three modeling approaches described observed BTCs very well. The MIM was the only model that could explain the tailing phenomenon in the experimental BTCs. However, all of them could not accurately predict BTCs at other scales using parameters determined at one observed scale. For the MIM and the FCDE, the predictions might be acceptable only when the scale for prediction was very close to the observed scale. When the distribution of the dispersivity over a range of scales could be reasonably well-defined by observations, the CDE might be the best choice for predicting non-reactive solute transport in statistically homogeneous porous media. / Ph. D.

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.