Jens-Olaf Delfs

Catchments as reactors: a comprehensive approach for water fluxes and solute turnover

Sustainable water quality management requires a profound understanding of water fluxes (precipitation, run-off, recharge, etc.) and solute turnover such as retention, reaction, transformation, etc. at the catchment or landscape scale. The Water and Earth System Science competence cluster (WESS, http://www.wess.info/) aims at a holistic analysis of the water cycle coupled to reactive solute transport, including soil–plant–atmosphere and groundwater–surface water interactions. To facilitate exploring the impact of land-use and climate changes on water cycling and water quality, special emphasis is placed on feedbacks between the atmosphere, the land surface, and the subsurface. A major challenge lies in bridging the scales in monitoring and modeling of surface/subsurface versus atmospheric processes. The field work follows the approach of contrasting catchments, i.e. neighboring watersheds with different land use or similar watersheds with different climate. This paper introduces the featured catchments and explains methodologies of WESS by selected examples.

The IWAS-ToolBox: Software coupling for an integrated water resources management

Numerical modeling of interacting flow and transport processes between different hydrological compartments, such as the atmosphere/land surface/vegetation/soil/groundwater systems, is essential for understanding the comprehensive processes, especially if quantity and quality of water resources are in acute danger, like e.g. in semi-arid areas and regions with environmental contaminations. The computational models used for system and scenario analysis in the framework of an integrated water resources management are rapidly developing instruments. In particular, advances in computational mathematics have revolutionized the variety and the nature of the problems that can be addressed by environmental scientists and engineers. It is certainly true that for each hydro-compartment, there exists many excellent simulation codes, but traditionally their development has been isolated within the different disciplines. A new generation of coupled tools based on the profound scientific background is needed for integrated modeling of hydrosystems. The objective of the IWAS-ToolBox is to develop innovative methods to combine and extend existing modeling software to address coupled processes in the hydrosphere, especially for the analysis of hydrological systems in sensitive regions. This involves, e.g. the provision of models for the prediction of water availability, water quality and/or the ecological situation under changing natural and socio-economic boundary conditions such as climate change, land use or population growth in the future.

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.

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 coupled surface/subsurface flow model accounting for air entrapment and air pressure counterflow

This work introduces the soil air system into integrated hydrology by simulating the flow processes and interactions of surface runoff, soil moisture and air in the shallow subsurface. The numerical model is formulated as a coupled system of partial differential equations for hydrostatic (diffusive wave) shallow flow and two-phase flow in a porous medium. The simultaneous mass transfer between the soil, overland, and atmosphere compartments is achieved by upgrading a fully established leakance concept for overland-soil liquid exchange to an air exchange flux between soil and atmosphere. In a new algorithm, leakances operate as a valve for gas pressure in a liquid-covered porous medium facilitating the simulation of air out-break events through the land surface. General criteria are stated to guarantee stability in a sequential iterative coupling algorithm and, in addition, for leakances to control the mass exchange between compartments. A benchmark test, which is based on a classic experimental data set on infiltration excess (Horton) overland flow, identified a feedback mechanism between surface runoff and soil air pressures. Our study suggests that air compression in soils amplifies surface runoff during high precipitation at specific sites, particularly in near-stream areas.

Upward brine migration resulting from pressure increases in a layered subsurface system

Upward displacement of brine from deep geological formations poses a potential threat to near-surface drinking water resources. In this work, the impact of a layered sequence of hydraulically permeable and impermeable layers connected by a vertical fluid pathway like, e.g., a fault is investigated using an idealized scenario and numerical process simulation. Long-term upward brine migration is induced by overpressure in the lowest permeable formation, and the upward migration through the vertical pathway and the interaction with the intermediary permeable layers is investigated. The simulations show that brine displaced upwards through the vertical fluid pathway moves into the intermediary permeable formations, settling into the lower parts of the permeable layers and displacing the resident less salty formation brine from this layer further upwards through the vertical pathway. Thus, formation brine from different depths displaces each other rather than mixing along the pathway or rising along the full length of the vertical pathway. An effect of the gradual upward displacement is a decrease in the salt concentrations along the pathway such that brine intrusion into the groundwater aquifer is reduced. However, if the hydraulic connection between the vertical pathway and the intermediary layers is low, higher-density brine accumulates in the vertical pathway and upward movement of the brine is impeded due to its own weight.

Variable Density Flow

The purpose of this benchmark is to verify the new directional transport boundary condition in OpenGeoSys. Therefore, a variable-density groundwater flow and solute transport model of an unconfined coastal aquifer under tidal influence was developed.

Density-Dependent Flow

The governing equations used for variable density flow consist of three fundamental conservation equations: (i) continuity equation of flow, (ii) momentum equation, and (iii) contaminant transport equation. In addition, these three equations are linked to the equations of the bulk fluid density and the hydrodynamic dispersion equations.