CO2-H2O mixtures in the geological sequestration of CO2. II. Partitioning in chloride brines at 12-100°C and up to 600 bar

Correlations presented by Spycher et al. (2003) to compute the mutual solubilities of CO₂ and H₂O are extended to include the effect of chloride salts in the aqueous phase. This is accomplished by including, in the original formulation, activity coefficients for aqueous CO₂ derived from several literature sources, primarily for NaCl solutions. Best results are obtained when combining the solubility correlations of Spycher et al. (2003) with the activity coefficient formulation of Rumpf et al. (1994) and Duan and Sun (2003), which can be extended to chloride solutions other than NaCl. This approach allows computing mutual solubilities in a noniterative manner with an accuracy typically within experimental uncertainty for solutions up to 6 molal NaCl and 4 molal CaCl₂.     

On CO<Subscript>2</Subscript> fluid flow and heat transfer behavior in the subsurface,following leakage from a geologic storage reservoir

Geologic storage of CO₂ is expected to produce plumes of large areal extent, and some leakage may occur along fractures, fault zones, or improperly plugged pre-existing wellbores. A review of physical and chemical processes accompanying leakage suggests a potential for self-enhancement. The numerical simulations presented here confirm this expectation, but reveal self-limiting features as well. It seems unlikely that CO₂ leakage could trigger a high-energy run-away discharge, a so-called “pneumatic eruption,” but present understanding is insufficient to rule out this possibility. The most promising avenue for increasing understanding of CO₂ leakage behavior is the study of natural analogues.     

A data exploration framework for validation and setup of hydrological models

Over the course of hydrological research projects often a large number of heterogeneous data sets are acquired from sources as diverse as boreholes, gauging stations or satellite imagery. This data then need to be integrated into models for the simulation of hydrological processes. We propose a framework for exploration of geoscientific data and visually guided preparation of such models. Data sets from a large number of sources can be imported, combined and validated to avoid potential problems due to artefacts or inconsistencies between data sets in a subsequent simulation. Boundary conditions and domain discretisations for surface and subsurface models can be created and tested regarding criteria indicating possible numerical instabilities. All data sets including simulation results can be integrated into a user-controlled 3D scene and aspects of the data can be enhanced using a number of established visualisation techniques including thresholding and user-defined transfer functions. We present the application of this framework for the preparation of a model for simulation of groundwater flow in a river catchment in southwest Germany investigated in the scope of the WESS project.     

Investigating hydrological drivers of nitrate export dynamics in two agricultural catchments in Germany using high-frequency data series

In this study near-continuous time series of nitrate, electrical conductivity, and discharge were used to identify the dominating hydrological mechanisms that control nitrate export dynamics in two agricultural catchments. The main goal was to assess relationships between contrasting event based as well as long-term nitrate transport behaviour and catchment hydrology. Data records were obtained from online probes that allow field based high-frequency analyses over long time periods. The catchments of the Ammer River (southwestern Germany) and the Weida River (eastern Germany) are similar with respect to size (~100 km²), morphology, and climate and are dominated by agricultural use. Main differences are the stronger urbanization and the occurrence of karstic rocks in the Ammer catchment. Nitrate concentrations are high in water of both streams and range mostly between 20 and 50 mg l^?1. Nitrate export in the Ammer catchment is dominated by baseflow and a minor second, diluting runoff component generated in urbanized areas. In contrast, nitrate dynamics of the Weida catchment is governed by the interplay of at least three runoff components, while the largest amount of nitrate is mobilized intermittently by a delayed fast component generated in the catchment’s soils during wet conditions. These interpretations, derived with one online probe at the outlet of each catchment, are well in line with the former modeling results. This study shows that high-resolution data obtained by online techniques offers a large potential to improve the conceptualization of dominating flow and transport processes at catchment scales at relatively low costs and effort.     

Multiple ways of producing intermediate and silicic rocks within Thingmúli and other Icelandic volcanoes

Major and trace element compositions of rocks and coexisting phenocrysts of the Thingmúli volcano suggest a revision of the existing models for the formation of intermediate and silicic melts in Iceland. The new data define two compositional tholeiitic trends with a significant gap between them. A high-iron trend (HFe) contains 6–14 wt% total FeO in silicic rocks with c. 1 wt% MgO, as well as sodic plagioclase and hedenbergite phenocrysts. A low-iron trend (LFe) contains 3–5 wt% FeO at c. 1 wt% MgO, which is typical of Iceland but higher than MORB compositions. The most evolved phenocrysts of the LFe trend do not reach iron-rich end members. The HFe trend is interpreted as a result of fractional crystallization; numerical modelling using the MELTS algorithm suggests that crystallization took place under redox conditions constrained to one-log unit below the fayalite-magnetite-quartz oxygen buffer (FMQ-1). The LFe trend is explained by a combination of mixing between rhyolite and ferrobasalt, assimilation of hydrated crust and fractional crystallization under higher redox conditions (FMQ). The two trends and the gap are best defined in a plot of Mg# versus SiO₂ that is useful to unravel petrogenetic processes. For example, intermediate and silicic rocks of the Holocene volcanic systems of spreading rifts (e.g. Krafla), propagating rifts (e.g. Hekla) and off-rifts (Öræfajökull) also fall into high- and low-iron fields and outline a gap similar to Thingmúli. The identification of two compositional trends in erupted intermediate and silicic volcanic products shows that processes in the deep roots of single volcanic systems are highly diverse and likely controlled by local variations in the thermal gradients and the extend of hydrothermal alteration. Generalizations about the relationship between the compositions of intermediate and silicic rocks and plate tectonic setting, therefore, should be avoided.     

The Agulhas Ridge, South Atlantic: The Peculiar Structure of a Fracture Zone

The Agulhas Ridge is a prominent topographic feature that parallels the Agulhas-Falkland Fracture Zone (AFFZ). Seismic reflection and wide angle/refraction data have led to the classification of this feature as a transverse ridge. Changes in spreading rate and direction associated with ridge jumps, combined with asymmetric spreading within the Agulhas Basin, modified the stress field across the fracture zone. Moreover, passing the Agulhas Ridge’s location between 80 and 69 Ma, the Bouvet and Shona Hotspots may have supplied excess material to this part of the AFFZ thus altering the ridge’s structure. The low crustal velocities and overthickened crust of the northern Agulhas Ridge segment indicate a possible continental affinity that suggests it may be formed by a small continental sliver, which was severed off the Maurice Ewing Bank during the opening of the South Atlantic. In early Oligocene times the Agulhas Ridge was tectono-magmatically reactivated, as documented by the presence of basement highs disturbing and disrupting the sedimentary column in the Cape Basin. We consider the Discovery Hotspot, which distributes plume material southwards across the AAFZ, as a source for the magmatic material.     

On the variability of the Charnock constant and the functional dependence of the drag coefficient on wind speed: Part II-Observations

An analytical expression for the 10 m drag law in terms of the 10 m wind speed at the maximum in the 10 m drag coefficient, and the Charnock constant is presented, which is based on the results obtained from a model of the air-sea interface derived in Bye et al. (2010). This drag law is almost independent of wave age and over the mid-range of wind speeds (5?17 ms^?1) is very similar to the drag law based on observed data presented in Foreman and Emeis (2010). The linear fit of the observed data which incorporates a constant into the traditional definition of the drag coefficient is shown to arise to first-order as a consequence of the momentum exchange across the air-sea boundary layer brought about by wave generation and spray production which are explicitly represented in the theoretical model.     

Modelling the effects of temperature and food on individual growth and reproduction of Daphnia and their consequences on the population level

Individual based simulations of population dynamics require the availability of growth models with adequate complexity. For this purpose a simple-to-use model (non-linear multiple regression approach) is presented describing somatic growth and reproduction of Daphnia as a function of time, temperature and food quantity. The model showed a good agreement with published observations of somatic growth (r² = 0.954, n = 88) and egg production (r² = 0.898, n = 35). Temperature is the main determinant of initial somatic growth and food concentration is the main determinant of maximal body length and clutch size. An individual based simulation was used to demonstrate the simultaneous effects of food and temperature on the population level. Evidently, both temperature and food supply affected the population growth rate but at food concentrations above approximately 0.4 mg Cl⁻¹ Scenedesmus acutus temperature appeared as the main determinant of population growth.

Four simulation examples are given to show the wide applicability of the model: (1) analysis of the correlation between population birth rate and somatic growth rate, (2) contribution of egg development time and delayed somatic growth to temperature-effects on population growth, (3) comparison of population birth rate in simulations with constant vs. decreasing size at maturity with declining food concentrations and (4) costs of diel vertical migration. Due to its plausible behaviour over a broad range of temperature (2–20 °C) and food conditions (0.1–4 mg Cl⁻¹) the model can be used as a module for more detailed simulations of Daphnia population dynamics under realistic environmental conditions.