Surface complexation modeling of Cu(II) adsorption on mixtures of hydrous ferric oxide and kaolinite

Background  

The application of surface complexation models (SCMs) to natural sediments and soils is hindered by a lack of consistent models and data for large suites of metals and minerals of interest. Furthermore, the surface complexation approach has mostly been developed and tested for single solid systems. Few studies have extended the SCM approach to systems containing multiple solids.     

Crystal chemistry of selenates with mineral-like structures: V. Crystal structures of (H3O)2[(UO2)(SeO4)2(H2O)](H2O)2 and (H3O)2[(UO2)(SeO4)2(H2O)](H2O), new compounds with rhomboclase and goldichite topology

The crystal structures of two new compounds (H₃O)₂[(UO₂)(SeO₄)₂(H₂O)](H₂O)₂ (1, orthorhombic, Pnma, a = 14.0328(18), b = 11.6412(13), c = 8.2146(13) Å, V = 134.9(3) ų) and (H₃O)₂[(UO₂)(SeO₄)₂(H₂O)](H₂O) (2, monoclinic, P2₁/c, a = 7.8670(12), b = 7.5357(7), c = 21.386(3) Å, β = 101.484(12)°, V = 1242.5(3) ų) have been solved by direct methods and refined to R ₁ = 0.076 and 0.080, respectively. The structures of both compounds contain sheet complexes [(UO₂)(SeO₄)₂]^2? formed by cornershared [(UO₂)O₄(H₂O)] bipyramids and SeO₄ tetrahedrons. The sheets are parallel to the (100) plane in structure 1 and to (?102) in structure 2. The [(UO₂)(SeO₄)₂(H₂O)]^2? layers are linked by hydrogen bonds via interlayer groups H₂O and H₃O⁺. The sheet topologies in structures 1 and 2 are different and correspond to the topologies of octahedral and tetrahedral complexes in rhomboclase (H₂O₂)⁺[Fe(SO₄)₂(H₂O)₂] and goldichite K[Fe(SO₄)₂(H₂O)₂](H₂O)₂, respectively.     

Rotational and magnetic corrections to the g-mode frequencies in a one-dimensional MHD model

The central magnetic field and rotation of the solar radiative zone are responsible for corrections to the g-mode frequencies. Magnetogravitational spectra are calculated analytically in a simple one-dimensional MHD model that goes beyond the WKB approximation and avoid any cusp resonances that trap the wave within the radiative zone in the presence of a weak magnetic background. The calculations are compared with spacecraft observations of the 1% frequency shifts for candidate g-modes found in the SOHO GOLF experiment. The magnetic correction is the main contribution for a strong magnetic field satisfying the approximation used. It is shown that a constant magnetic field of 700 kG in the radiative zone provides the required frequency shift for the n = ?10 g-mode. The rotational correction, which is due to the Coriolis force in the one-dimensional model used, is much less than a percent (α_Ω ≤ 0.003).     

Evaluation of distributed recharge in an upland semi-arid karst system: the West Bank Mountain Aquifer,Middle East

Assessment of recharge in a structurally complex upland karst limestone aquifer situated in a semi-arid environment is difficult. Resort to surrogate indicators such as measurement of spring outflow and borehole discharge, is a common alternative, and attempts to apply conventional soil moisture deficit analysis may not adequately account for the intermittent spate conditions that arise in such environments. A modelling approach has been made using the West Bank Mountain Aquifer system in the Middle East as a trial. The model uses object oriented software which allows various objects to be switched on and off. Each of the main recharge processes identified in the West Bank is incorporated. The model allows either conventional soil moisture deficit analysis calculations or wetting threshold calculations to be made as appropriate, and accommodates both direct recharge and secondary recharge. Daily time steps enable recharge and runoff routing to be calculated for each node. Model runs have enabled a series of simulations for each of the three aquifer basins in the West Bank and for the whole of the West Bank. These provide recharge estimates comparable to those prepared by earlier workers by conventional means. The model is adaptable and has been successfully used in other environments.     

Artificial neural network and liquefaction susceptibility assessment: a case study using the 2001 Bhuj earthquake data,Gujarat, India

This study pertains to prediction of liquefaction susceptibility of unconsolidated sediments using artificial neural network (ANN) as a prediction model. The backpropagation neural network was trained, tested, and validated with 23 datasets comprising parameters such as cyclic resistance ratio (CRR), cyclic stress ratio (CSR), liquefaction severity index (LSI), and liquefaction sensitivity index (LSeI). The network was also trained to predict the CRR values from LSI, LSeI, and CSR values. The predicted results were comparable with the field data on CRR and liquefaction severity. Thus, this study indicates the potentiality of the ANN technique in mapping the liquefaction susceptibility of the area.     

Estimation of hydraulic permeability considering the micro morphology of rocks of the borehole YAXCOPOIL-1 (Impact crater Chicxulub,Mexico)

Internal surface, formation factor, Nuclear Magnetic Resonance (NMR)-T2 relaxation times and pore radius distributions were measured on representative core samples for the estimation of hydraulic permeability. Permeability is estimated using various versions of the classic Kozeny–Carman-equation (K–C) and a further development of K–C, the fractal PaRiS-model, taking into account the internal surface. In addition to grain and pore size distribution, directly connected to permeability, internal surface reflects the internal structure (“micro morphology”). Lithologies could be grouped with respect to differences in internal surface. Most melt rich impact breccia lithologies exhibit large internal surfaces, while Tertiary post-impact sediments and Cretaceous lithologies in displaced megablocks display smaller internal surfaces. Investigations with scanning electron microscopy confirm the correlation between internal surface and micro morphology. In addition to different versions of K–C, estimations by means of NMR, pore radius distributions and some gas permeability measurements serve for cross-checking and calibration. In general, the different estimations from the independent methods and the measurements are in satisfactory accordance. For Tertiary limestones and Suevites bulk with very high porosities (up to 35%) permeabilites between 10⁻¹⁴ and 10⁻¹⁶ m² are found, whereas in lower Suevite, Cretaceous anhydrites and dolomites, bulk permeabilites are between 10⁻¹⁵ and 10⁻²³ m².     

Hydrogeologic assessment of escalating groundwater exploitation in the Indus Basin, Pakistan

Groundwater development has contributed significantly to food security and reduction in poverty in Pakistan. Due to rapid population growth there has been a dramatic increase in the intensity of groundwater exploitation leading to declining water tables and deteriorating groundwater quality. In such prevailing conditions, the hydrogeological appraisal of escalating groundwater exploitation has become of paramount importance. Keeping this in view, a surface water–groundwater quantity and quality model was developed to assess future groundwater trends in the Rechna Doab (RD), a sub-catchment of the Indus River Basin. Scenario analysis shows that if dry conditions persist, there will be an overall decline in groundwater levels of around 10 m for the whole of RD during the next 25 years. The lower parts of RD with limited surface water supplies will undergo the highest decline in groundwater levels (10 to 20 m), which will make groundwater pumping very expensive for farmers. There is a high risk of groundwater salinization due to vertical upconing and lateral movement of highly saline groundwater into the fresh shallow aquifers in the upper parts of RD. If groundwater pumping is allowed to increase at the current rate, there will be an overall decline in groundwater salinity for the lower and middle parts of RD because of enhanced river leakage.     

Field scale heterogeneity of redox conditions in till-upscaling to a catchment nitrate model

Point scale studies in different settings of glacial geology show a large local variation of redox conditions. There is a need to develop an upscaling methodology for catchment scale models. This paper describes a study of field-scale heterogeneity of redox-interfaces in a till aquitard within an area of 600?×?600 m. The results showed significant variation of the depths to the redox-interface and thickness of the aquitard. Nitrate was present above the redox-interface but reduced to non-detectable levels a few metres below the interface. An upscaling approach for an area of 92 km² is proposed. Two models are proposed to predict the depth to the redox-interface in the aquitard and the resulting nitrate recharge concentrations to an underlying aquifer. The first model assumes that the depth to the redox-interface reflects the hydraulic head in the aquitard, and the second model assumes that the depth of the redox-interface is randomly distributed according to a log-normal probability distribution function. The upscaling approach using the random redox model estimated recharge concentrations comparable to the observed concentration in the underlying aquifer. The presented upscaling approach is applicable in distributed catchment models where sub-grid variability cannot be represented by the large grids.     

Environmental Factors Contributing to the Development and Demise of a Toxic Dinoflagellate (<Emphasis Type="Italic">Karlodinium veneficum</Emphasis>) Bloom in a Shallow,Eutrophic, Lagoonal Estuary

A dense bloom of the ichthyotoxic dinoflagellate Karlodinium veneficum was discovered in the Neuse River Estuary, North Carolina, on 19 October 2006 and was associated with four subsequent fish kills. Microscopic, photopigment, DNA, and toxicological techniques confirmed bloom identity and toxicity. High-resolution spatio-temporal data from ship-board and fixed automated sampling stations provided a unique opportunity to investigate the environmental conditions that initiated, maintained, and terminated the K. veneficum bloom. Bloom initiation and growth were favored by high nutrient availability and reduced dispersal during the period of declining riverine discharge after Tropical Storm Ernesto. K. veneficum out-competed other co-occurring dinoflagellates, perhaps because of the production of karlotoxins that are known to act as grazing deterrents and to facilitate mixotrophic feeding. Once the bloom was established, small-scale hydrodynamic processes, coupled with vertical migration, concentrated cells along a frontal convergence to high densities (>200,000 cells per milliliter). By 26 October 2006, wind mixing and possible nutrient stress disrupted the bloom. Release of cell-bound toxins during the bloom collapse likely accounted for the associated fish kill events where fish were reported as exhibiting typical symptoms of karlotoxin poisoning. The dynamics of this bloom underscore the tight control of harmful algal blooms by meteorological forcing, hydrology, and sediment nutrient input in this shallow lagoonal estuary.