A high-resolution TEM-AEM, pH titration, and modeling study of Zn coprecipitation with ferrihydrite

Experiments of Zn²⁺ and Fe³⁺ coprecipitation as a function of pH were conducted in the laboratory at ambient temperature and pressure. X-ray diffraction patterns of the coprecipitates show two broad peaks at 0.149 and 0.258 nm, which is consistent with published patterns for pure 2-line ferrihydrite. Zn²⁺ uptake occurred at pH ≥5 while Fe³⁺ precipitation occurred between pH 3 and 4, although both Zn²⁺ and Fe³⁺ were present in the same solution during the entire range of pH titration. High-resolution transmission electron microscopy shows that the coprecipitates are 2 to 6 nm sized single crystalline particles but aggregated to 50 to 400 nm sized clusters. Analytical electron microscopy indicated that the 5% atomic Zn with respect to Fe was homogeneously distributed. No segregated phases were found in the clusters or at single crystal edges, which is consistent with published extended X-ray absorption fine structure (EXAFS) results at similar Zn/(Zn + Fe) ratios. Hence, occlusion and surface precipitation may be excluded as possible coprecipitation mechanisms. The bulk solution Zn²⁺ sorption edge was fitted to both solid solution and generalized diffuse layer surface complexation models. However, a solid solution model is inconsistent with published EXAFS results that show tetrahedral polydentate Zn²⁺ complexes sharing apices with Fe³⁺octahedra.     

Rb2Ca[B4O5(OH)4]2·8H2O溶解及相转化过程的研究

利用IR光谱和Raman光谱等实验手段,对25℃时Rb2Ca[B4O5(OH)4]2·8H2O的溶解及相转化过程进行了初步探索,结果表明,Rb2Ca[B4O5(OH)4]2·8H2O溶于水后,硼在溶液中主要以B(OH)3和[B(OH)4]-的形式存在,残留固相由开始的无定形水合三硼酸钙,最终部分转变为Ca2[B3O3(OH)5]2·8H2O晶体。     

Refined modeling and movement characteristics analyses of irregularly shaped particles

Irregularly shaped (IRS) particles widely exist in many engineering and industrial fields. The macro physical and mechanical properties of the particle system are governed by the interaction between the particles in the system. The interaction between IRS particles is more complicated because of their complex geometric shape with extremely irregular and co‐existed concave and convex surfaces. These particles may interlock each other, making the sliding and friction of IRS particles more complex than that of particles with regular shape. In order to study the interaction of IRS particles more efficiently, a refined method of constructing discrete element model based on computed tomography scanning of IRS particles is proposed. Three parameters were introduced to control the accuracy and the number of packing spheres. Subsequently, the inertia tensor of the IRS particle model was optimized. Finally, laboratory and numerical open bottom cylinder tests were carried out to verify the refined modeling method. The influence of particle shape, particle position, and mesoscopic friction coefficient on the interaction of particles was also simulated. It is noteworthy that with the increase of mesoscopic friction coefficient, the fluidity of IRS particle assembly decreases, and intermittent limit equilibrium state may appear. Copyright © 2014 John Wiley & Sons, Ltd.     

Chemical weathering and CO2 consumption in the glaciated Karuxung River catchment,Tibetan Plateau

Climate factors play critical roles in controlling chemical weathering, while chemically weathered surface material can regulate climate change. To estimate global chemical weathering fluxes and CO₂ balance, it is important to identify the characteristics and driving factors of chemical weathering and CO₂ consumption on the Tibetan Plateau, especially in glaciated catchments. The analysis of the hydro-geochemical data indicated that silicate weathering in this area was inhibited by low temperatures, while carbonate weathering was promoted by the abundant clastic rocks with fresh surfaces produced by glacial action. Carbonate weathering dominated the riverine solute generation (with a contribution of 58%, 51%, and 43% at the QiangYong Glacier (QYG), the WengGuo Hydrological Station (WGHS), and the lake estuary (LE), respectively). The oxidation of pyrite contributed to 35%, 42%, and 30% of the riverine solutes, while silicate weathering contributed to 5%, 6%, and 26% of the riverine solutes at the QYG, WGHS, and LE, respectively. The alluvial deposit of easily weathering fine silicate minerals, the higher air temperature, plant density, and soil thickness at the downstream LE in comparison to upstream and midstream may lead to longer contact time between pore water and mineral materials, thus enhancing the silicate weathering. Because of the involvement of sulfuric acid produced by the oxidation of pyrite, carbonate weathering in the upstream and midstream did not consume atmospheric CO₂, resulting in the high rate of carbonate weathering (73.9 and 75.6 t km⁻² yr⁻¹, respectively, in maximum) and potential net release of CO₂ (with an upper constraint of 35.6 and 35.2 t km⁻² yr⁻¹, respectively) at the QYG and WGHS. The above results indicate the potential of the glaciated area of the Tibetan Plateau with pyrite deposits being a substantial natural carbon source, which deserves further investigation.     

Soil property variation mapping through data mining of soil category maps

Spatial information on soil properties is an important input to hydrological models. In current hydrological modelling practices, soil property information is often derived from soil category maps by the linking method in which a representative soil property value is linked to each soil polygon. Limited by the area‐class nature of soil category maps, the derived soil property variation is discontinuous and less detailed than high resolution digital terrain or remote sensing data. This research proposed dmSoil, a data‐mining‐based approach to derive continuous and spatially detailed soil property information from soil category maps. First, the soil–environment relationships are extracted through data mining of a soil map. The similarity of the soil at each location to different soil types in the soil map is then estimated using the mined relationships. Prediction of soil property values at each location is made by combining the similarities of the soil at that location to different soil types and the representative soil property values of these soil types. The new approach was applied in the Raffelson Watershed and Pleasant Valley in the Driftless Area of Wisconsin, United States to map soil A horizon texture (in both areas) and depth to soil C horizon (in Pleasant Valley). The property maps from the dmSoil approach capture the spatial gradation and details of soil properties better than those from the linking method. The new approach also shows consistent accuracy improvement at validation points. In addition to the improved performances, the inputs for the dmSoil approach are easy to prepare, and the approach itself is simple to deploy. It provides an effective way to derive better soil property information from soil category maps for hydrological modelling. Copyright © 2014 John Wiley & Sons, Ltd.     

Numerical simulation on mining-induced water inrushes related to geologic structures using a damage-based hydromechanical model

A large number of statistics indicate that water inrush has a direct relationship with geological structures such as fault and karst collapse columns. Understanding the mechanism of water inrushes controlled by geologic structures is of vital importance for adopting effective measures to prevent their occurrence. The work begins with formulization of a damage-based hydromechanical model based on elastic damage theory. Next, the model is numerically implemented with finite element method by employing a finite element package called COMSOL Multiphysics, and is also validated against some existing experimental observations. Finally, the model is used to simulate the mining-induced groundwater inrushes when the effect of faults and karst collapse columns is considered in the numerical simulation, and some suggestive conclusions for preventing water inrushes and optimizing underground mining operations are drawn.     

Efficient estimation of flood forecast prediction intervals via single‐ and multi‐objective versions of the LUBE method

Prediction intervals (PIs) are commonly used to quantify the accuracy and precision of a forecast. However, traditional ways to construct PIs typically require strong assumptions about data distribution and involve a large computational burden. Here, we improve upon the recent proposed Lower Upper Bound Estimation method and extend it to a multi‐objective framework. The proposed methods are demonstrated using a real‐world flood forecasting case study for the upper Yangtze River Watershed. Results indicate that the proposed methods are able to efficiently construct appropriate PIs, while outperforming other methods including the widely used Generalized Likelihood Uncertainty Estimation approach. Copyright © 2016 John Wiley & Sons, Ltd.