Cycling of trace metals (Mn, Fe, Mo, U, V, Cr) in deep pore waters of intertidal flat sediments

Trace metals (Mn, Fe, Mo, U, Cr, V) were studied in pore waters of an intertidal flat located in the German Wadden Sea. The study system is an example of a permeable tidal flat system where pore water exchange is affected by tidal driven pressure gradients besides diffusion. Permanently installed in situ samplers were used to extract pore waters down to 5 m depth throughout one year. The samplers were either located close to the tidal flat margin or in central parts of the tidal flat. Despite dynamic sedimentological and hydrological conditions, the general trends with depth in deep tidal flat pore waters are remarkably similar to those observed in deep sea environments. Rates of trace metal cycling must be comparably large in order to maintain the observed pore water profiles. Trace metals further show similar general trends with depth close to the margin and in central parts of the tidal flat. Seasonal sampling revealed that V and Cr vary concurrent with seasonal changes in dissolved organic carbon (DOC) concentration. This effect is most notable close to the tidal flat margin where sulphate, DOC, and nutrients vary with season down to some metres depth. Seasonal variations of Mn, Fe, Mo, and U are by contrast limited to the upper decimetres of the sediment. Their seasonal patterns depend on organic matter supply, redox stratification, and particulate matter deposited on sediment surfaces. Pore water sampling within one tidal cycle provides evidence for pore water advection in margin sediments. During low tide pore water flow towards the creekbank is generated by a hydraulic gradient suggesting that deep pore waters may be seeping out of creekbank sediments. Owing to the enrichment of specific elements like Mn in pore water compared to sea water, seeping pore waters may have an impact on the chemistry of the open water column. Mass balance calculations reveal that the impact of deep pore waters on the Mn budget in the open water column is below 4%. Mn deep pore water discharge of the whole Wadden Sea is estimated to be about 9% of the total dissolved riverine Mn input into the Southern North Sea.     

Assessment of Water Quality in the Elbe River at Low Water Conditions Based on Factor Analysis

An assessment of water quality measurements during a long‐lasting low water period in the Elbe River is presented. Weekly samples were taken from May to December 2003 at a sampling site in the middle part of the Elbe River. For multivariate data analysis, 34 parameters of 46 samplings were considered. As a result of this analysis, 78% of the variance of the data set is explained by five factors. They can be assigned to the following latent variables: season (37.5%) > tributaries (12.7%) > re‐suspension (10.4%) > discharge (9.4%) > complexation (8.5%). For the investigated sampling site, two key processes were identified as dominating factors on the water quality during low water conditions. First, seasonal phytoplankton development caused changes in redox conditions with consequences for re‐solution of pollutants from sediments. Second, tributaries have a higher impact on the main stream, due to changes in mixing processes. Therefore, in addition to flood investigations, monitoring strategies, and management plans should be developed in order to survey changes in water quality during low water conditions.     

Geomechanical model for fracture deformation under hydraulic, mechanical and thermal loads

Hydraulic flow and transport (heat and solute) within crystalline rocks is dominated by the fracture systems found within them. In situ stress conditions have a significant impact on the hydraulic, mechanical and thermal coupled processes, and quantification of these processes provides a key to understanding the often transient time-dependent behaviour of crystalline rocks. In this paper, a geomechanical model is presented which describes fracture closure as a function of effective stress and the changes in parameters such as storage, permeability, porosity and aperture. Allowing the fracture closure to be defined by the change in normal effective stress provides a link to the numerical consideration of parametrical changes due to rock stress alterations caused for example by changes in fracture fluid pressure, stress release, tectonic stress, thermal stress, orientation of the natural fracture in the pervasive stress system and local changes in a rock mass due to stress alteration. The model uses geometrical considerations based on a fractal distribution of apertures on the fracture surface, and applies well-established analytical elastic deformation solutions to calculate the deformation response to changes in effective stress. Analysis of the fractal generation method allows a standard normal distribution of fracture apertures to be predicted for all common fractal dimensions relating to a 2D surface. Changes in the fracture aperture are related to hydraulic functions such as permeability, storage and porosity of the fracture. The geomechanical model is experimentally validated against laboratory scale experimental data gained from the closure of a fractured sample recovered at a depth of 3,800 m from the KTB pilot borehole. Parameters for matching the experimental data were established externally, the only fitting parameters applied were the minimum and maximum contact area between the surfaces and the number of allowable contacts. The model provides an insight into the key processes determining the closure of a fracture, and can act as a material input function for numerical models linking the effects of changes in the stress field, hydraulic or thermal conditions, to the flow and transport parameters of a fractured system.

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Résumé L’écoulement et le transport (chaleur et soluté) dans les roches cristallines sont dominés par les systèmes de fracture. Les conditions de stress in-situ ont un impact significatif sur l’hydraulique, les processus couplés de mécanique et thermique et la quantification de ces processus apportent une clé pour comprendre le comportement transitoire des roches cristallines. Dans cet article un modèle géomécanique est présenté, modèle qui décrit la fermeture des fractures comme une fonction de la contrainte effective et des changements de paramètres tels le coefficient d’emmagasinement, la perméabilité, la porosité et l’ouverture. En s’accordant que la fermeture des fractures est définit par les changements de la contrainte effective normale, on apporte le lien avec la considération numérique des changements paramétriques dus aux altérations de la contrainte des roches, causés par exemple par des variations de la pression des fluides dans les fractures, du dégagement de la contrainte, des contraintes tectoniques et thermiques, des orientations des fractures naturelles dans le système de contraintes pénétrantes, et des changements locaux dans un massif de roches dus à l’altération des contraintes. Le modèle utilise des considérations géométriques basées sur une distribution fractale des ouvertures à la surface des fractures, et permet d’établir des solutions analytiques de la déformation élastique pour calculer la réponse de la déformation à la contrainte effective. L’analyse de la méthode par génération fractale permet de prédire une distribution normale standard de l’ouverture des fractures, pour toutes les dimensions fractales en relation avec les surfaces 2D. Les changements dans l’ouverture des fractures sont mis en relation avec les fonctions hydrauliques tels la perméabilité, l’emmagasinement et la porosité de la fracture. Le modèle géoméchanique est expérimentalement validé à l’échelle du laboratoire sur un échantillon fracturé récupéré à une profondeur de 3,800 mètres sur le puits du site pilote KTB. Les paramètres du calibrage des données expérimentales ont été établies extérieurement, les seuls paramètres utilisés étant les surfaces de contact minimum et maximum, et le nombre de contacts permis. Le modèle apporte une connaissance perspicace sur le processus clé déterminant la fermeture des fractures, et peut servir de fonction input dans les modèles numériques reliant les effets des variations de la contrainte du terrain, les conditions hydrauliques ou thermales, les paramètres de l’écoulement et du transport et les systèmes de fracture.

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Resumen El flujo hidráulico y transporte (de calor y solutos) dentro de rocas cristalinas está dominado por los sistemas de fracturas que se encuentran en ellas. Las condiciones de esfuerzos in-situ tienen un impacto significativo en los procesos aparejados termales, mecánicos e hidráulicos y la cuantificación de estos procesos aporta una clave para entender el frecuente comportamiento transitorio dependiente de las rocas cristalinas. En este artículo se presenta un modelo geomecánico que describe el cierre de fracturas en función del esfuerzo efectivo y los cambios en parámetros tal como almacenamiento, permeabilidad, porosidad y apertura. El definir el cierre de fractura mediante el cambio en esfuerzo normal efectivo aporta un vínculo con la consideración numérica de cambios paramétricos ocasionados por alteraciones de esfuerzos en la roca causadas, por ejemplo, por cambios en presión de fluidos en fractura, liberación de esfuerzo, esfuerzo tectónico, esfuerzo termal, orientación de fracturas naturales en el sistema de esfuerzos penetrante, y cambios locales en una masa rocosa ocasionados por alteración de esfuerzos. El modelo utiliza consideraciones geométricas basadas en la distribución fractal de aperturas en la superficie de fractura y aplica soluciones analíticas bien establecidas de deformación elástica para calcular la respuesta de deformación a cambios en el esfuerzo efectivo. Los análisis del método de generación fractal permiten predecir una distribución normal standard para la distribución de aperturas de fracturas para todas las dimensiones fractales comunes que se relacionan con una superficie 2D. Los cambios en la apertura de fractura se relacionan con funciones hidráulicas tal como permeabilidad, almacenamiento y porosidad de la fractura. El modelo geomecánico se ha validado experimentalmente en contra de datos experimentales a escala de laboratorio obtenidos a partir del cierre de una muestra fracturada recuperada a una profundidad de 3,800 m en el pozo piloto KTB. Se establecieron externamente parámetros que se ajustan a los datos experimentales, con los parámetros de ajuste aplicados que fueron el área máxima y mínima de contacto entre las superficies y el número de contactos permisibles. El modelo arroja luz sobre los procesos clave que determinan el cierre de una fractura y puede actuar como un material de función de entrada para modelos numéricos que vinculan los efectos de cambios en el campo de esfuerzos, condiciones termales o hidráulicas, con los parámetros de flujo y transporte de un sistema fracturado.

     

An Open,Object-Based Framework for Generating Anisotropy in Sedimentary Subsurface Models

The spatial distribution of hydraulic properties in the subsurface controls groundwater flow and solute transport. However, many approaches to modeling these distributions do not produce geologically realistic results and/or do not model the anisotropy of hydraulic conductivity caused by bedding structures in sedimentary deposits. We have developed a flexible object-based package for simulating hydraulic properties in the subsurface—the Hydrogeological Virtual Realities (HyVR) simulation package. This implements a hierarchical modeling framework that takes into account geological rules about stratigraphic bounding surfaces and the geometry of specific sedimentary structures to generate realistic aquifer models, including full hydraulic-conductivity tensors. The HyVR simulation package can create outputs suitable for standard groundwater modeling tools (e.g., MODFLOW), is written in Python, an open-source programming language, and is openly available at an online repository. This paper presents an overview of the underlying modeling principles and computational methods, as well as an example simulation based on the Macrodispersion Experiment site in Columbus, Mississippi. Our simulation package can currently simulate porous media that mimic geological conceptual models in fluvial depositional environments, and that include fine-scale heterogeneity in distributed hydraulic parameter fields. The simulation results allow qualitative geological conceptual models to be converted into digital subsurface models that can be used in quantitative numerical flow-and-transport simulations, with the aim of improving our understanding of the influence of geological realism on groundwater flow and solute transport.     

Coupling hydrogeological with surface runoff model in a Poltva case study in Western Ukraine

This paper presents the hydrological coupling of the software framework OpenGeoSys (OGS) with the EPA Storm Water Management Model (SWMM). Conceptual models include the Saint Venant equation for river flow, the 2D Darcy equations for confined and unconfined groundwater flow, a two-way hydrological coupling flux in a compartment coupling approach (conductance concept), and Lagrangian particles for solute transport in the river course. A SWMM river–OGS aquifer inter-compartment coupling flux is examined for discharging groundwater in a systematic parameter sensitivity analysis. The parameter study involves a small perturbation (first-order) sensitivity analysis and is performed for a synthetic test example base-by-base through a comprehensive range of aquifer parametrizations. Through parametrization, the test cases enables to determine the leakance parameter for simulating streambed clogging and non-ocillatory river-aquifer water exchange rates with the sequential (partitioned) coupling scheme. The implementation is further tested with a hypothetical but realistic 1D river–2D aquifer model of the Poltva catchment, where discharging groundwater in the upland area affects the river–aquifer coupling fluxes downstream in the river course (propagating feedbacks). Groundwater contribution in the moving river water is numerically determined with Lagrangian particles. A numerical experiment demonstrates that the integrated river–aquifer model is a serviceable and realistic constituent in a complete compartment model of the Poltva catchment.     

Visual data exploration for hydrological analysis

Hydrological research projects for integrated water resources management such as the IWAS initiative often accumulate large amounts of heterogeneous data from different sources. Given the number of partners taking part in such projects, surveying and accessing the available data sets, as well as searching for a defined subset, becomes increasingly difficult. We propose an integrated approach for a system combining visual data management and numerical simulation which allows to survey and select data sets based on keywords such as a region of interest or given indicators. An adequate 3D visualisation of such subsets helps to convey information and significantly supports the assessment of relations between different types of data. Furthermore, the interface between the visual data management system and finite element codes allows for the straightforward integration of information into the numerical simulation process and the subsequent visualisation of simulation results in a geographical context. We demonstrate typical workflows for integration and processing within the system based on data from the IWAS model region in Saudi Arabia and the TERENO Bode Observatory in the Harz Mountains in Germany. In addition, we present examples for data import and export based on established standard file formats.     

Visualisation strategies for environmental modelling data

We present a framework that allows users to apply a number of strategies to view and modify a wide range of environmental data sets for the modelling of natural phenomena. These data sets can be concurrently visualised to find inconsistencies or artefacts. This ensures at an early stage that models set up for the simulation of hydrological or thermal processes will not give implausible results due to complications based on input data. A number of generally applicable visualisation techniques are provided by our framework to help researchers detect potential problems. We also propose a number of mapping algorithms for the integration of multiple data sets to resolve some of the most common issues. Techniques for the presentation of input- and modelling data in combination with simulation results are proposed with respect to the benefits of visualisation of environmental data within specialised environments. The complete workflow from input data to presentation is demonstrated based on a case study in Central Germany. We identify typical problems, propose approaches for a suitable data integration for this case study and compare results of the original and modified data sets.     

Is the North Atlantic Oscillation reflected in Scandinavian glacier mass balance records?

The North Atlantic Oscillation (NAO) is one of the modes of climate variability in the North Atlantic region. The atmospheric circulation during the winter season in this region commonly displays a strong meridional (north–south) pressure contrast, with low air pressure (cyclone) centred close to Iceland and high air pressure (anticyclone) near the Azores. This pressure gradient drives the mean surface winds and the mid‐latitude winter storms from west to east across the North Atlantic, bringing mild moist air to northwest Europe. The NAO index is based on the difference of normalised sea‐level pressures (SLP) between Ponta Delgada, Azores and Stykkisholmur, Iceland. The SLP anomalies at these stations are normalised by division of each monthly pressure by the long‐term (1865–1984) standard deviation. Interannual atmospheric climate variability in northwest Europe, especially over Great Britain and western Scandinavia has, during the last decades, been attributed mainly to the NAO, causing variations in the winter weather over the northeast North Atlantic and the adjacent land areas. A comparison between the NAO index and the winter (December–March) precipitation between ad 1864 and 1995 in western Norway shows that these are strongly linked (correlation coefficient 0.77). Variations in the NAO index are also reflected in the mass balance records of glaciers in western Scandinavia. The NAO index is best correlated with mass balance data from maritime glaciers in southern Norway (e.g. Ålfotbreen R² = 0.51). The record of Holocene (last ca. 11 500 cal. yr) glacier variations of maritime glaciers in western Scandinavia is thus a proxy of pre‐instrumental NAO variations. Copyright © 2000 John Wiley & Sons, Ltd.     

Assessing the saltwater remediation potential of a three-dimensional,heterogeneous, coastal aquifer system

This paper evaluates the remediation potential of a salinized coastal aquifer by utilizing a scenario simulation. Therefore, the numerical model OpenGeoSys is first validated against analytical and experimental data to represent transient groundwater level development and variable density saline intrusion. Afterwards, a regional scale model with a three-dimensional, heterogeneous hydrogeology is calibrated for a transient state and used to simulate a best-case scenario. Water balances are evaluated in both the transient calibration and scenario run. Visualization techniques help to assess the complex model output providing valuable insight in the occurring density-driven flow processes. Furthermore, modeling and visualization results give information on the time scale for remediation activities and, due to limitations in data quality and quantity reveal potential for model improvement.     

A comparative simulation study of coupled THM processes and their effect on fractured rock permeability around nuclear waste repositories

This paper presents an international, multiple-code, simulation study of coupled thermal, hydrological, and mechanical (THM) processes and their effect on permeability and fluid flow in fractured rock around heated underground nuclear waste emplacement drifts. Simulations were conducted considering two types of repository settings (1) open emplacement drifts in relatively shallow unsaturated volcanic rock, and (2) backfilled emplacement drifts in deeper saturated crystalline rock. The results showed that for the two assumed repository settings, the dominant mechanism of changes in rock permeability was thermal–mechanically induced closure (reduced aperture) of vertical fractures, caused by thermal stress resulting from repository-wide heating of the rock mass. The magnitude of thermal–mechanically induced changes in permeability was more substantial in the case of an emplacement drift located in a relatively shallow, low-stress environment where the rock is more compliant, allowing more substantial fracture closure during thermal stressing. However, in both of the assumed repository settings in this study, the thermal–mechanically induced changes in permeability caused relatively small changes in the flow field, with most changes occurring in the vicinity of the emplacement drifts.