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211.
Quantum mechanical techniques, based on density functional theory, have been used to study the distribution of iron impurities in sphalerite (ZnS) at compositions ranging from 3.125 to 12.5 mol% FeS. Our results show that iron is most easily incorporated by direct substitution onto the zinc site and that energies for solution reactions involving FeS are exothermic when the system is zinc deficient. Furthermore, there appears to be a small driving force for the formation of bound Fe-Fe pairs at low iron concentrations, though there is no particular preference found for larger clusters of iron. The influence of iron on the sphalerite cell parameter is shown to be sensitive to the presence of Fe-Fe pairs and to the degree of sample non-stoichiometry. 相似文献
212.
Coupled substitutions involving hydrogen plus trivalent elements (Al, Eu, Fe, Ga, Gd, Lu, Mn, Nd, Pu, Sc, Y and Yb) in forsterite (Mg2SiO4) are studied using atomistic simulation methods. Incorporation of hydrogen is energetically favourable when included in the forsterite lattice as hydroxyl groups (OH−) at O3 sites while the trivalent cations replace either magnesium or silicon. Our calculations show a strong dependence on the ionic radius of the impurity species and some variation with pressure. There are also significant structural distortions around the impurity defects. At low pressure (0 GPa), the smaller trivalent cations, (e.g. Al, Fe, Mn and Ga) substitute into forsterite by replacing Si as: . The larger trivalent cations (e.g. Eu, Gd, Lu, Nd, Pu, Y and Yb) however, replace Mg at the M2 site coupled with an Mg1 vacancy as described by . At 12 GPa, the large cations are more stable at Mg1 relative to Mg2, but both are predicted to be less stable than configurations associated with Si vacancies. The trivalent ionic radius has a significant effect on the H incorporation mechanism, however, the high formation energy of Si vacancies suggests that the presence of H in forsterite could inhibit incorporation of these elements, particularly at high pressure. 相似文献
213.
Rochelle Plutchak Kelly Major Just Cebrian C. Drew Foster Mary-Elizabeth C. Miller Andrea Anton Kate L. Sheehan Kenneth L. HeckJr. Sean P. Powers 《Estuaries and Coasts》2010,33(6):1355-1364
The ability of oysters to remove large quantities of particulates from the water column, thereby potentially improving water
quality, has been cited as one of the reasons for oyster reef restoration. However, this ability has not yet been effectively
demonstrated in the field. As part of the Alabama Oyster Reef Restoration Project, this study was designed to assess impacts
of restored eastern oyster (Crassostrea virginica) reefs on primary production, nutrient dynamics, and water quality in shallow tidal creeks. Using a Before–After-Control–Impact
(BACI) design, we monitored tidal creeks around Dauphin Island, AL, for changes induced by the introduction of oyster reefs.
Reef placement resulted in increased ammonium (NH4+) in two of the three experimental creeks. Interestingly, oyster reefs did not seem to reduce water column particulates or
have an impact on phytoplankton or microphytobenthic biomass or productivity. We do not believe that our data discount the
importance and/or usefulness of oysters in modifying the water column. Rather, we acknowledge that it is difficult to detect
these impacts/environmental services in this type of system (i.e., a tidal creek system), because they seem to be very localized
and short-lived (i.e., not ecologically relevant on a creek-wide scale). This study highlights the need to consider location
and habitat in planning oyster restoration projects. Also, it demonstrates that the types, magnitudes, and spatial extent
of changes in ecosystem services that should be expected after reef restoration might need to be re-evaluated. 相似文献
214.
Ian Moffat Lynley A. Wallis Mark W. Hounslow Katrina Niland Kate Domett George Trevorrow 《Geoarchaeology》2010,25(5):645-665
Geophysical techniques have been widely employed for the noninvasive location of burial sites in archaeological and forensic investigations. This approach has met with varying degrees of success, depending on factors such as equipment choice, survey methodology, burial type, and geological setting. This paper reports the results of a multitechnique geophysical survey carried out immediately prior to the salvage excavation of two Indigenous burials from an eolian dune in coastal South Australia. Ground‐penetrating radar was not successful in defining the location of the burials owing to the disturbed nature of the local stratigraphy. Magnetic field intensity and apparent magnetic susceptibility surveys identified discrete anomalies that coincided with the location of skeletal material revealed during excavation, which we hypothesize to be due to burning or ochre use during funerary practices. Despite the spatial association of these features, subsequent laboratory analyses of the mineralogy and magnetic properties of sediments collected from the site failed to find a definite cause of the anomalies. Nevertheless, the association between them and the primary interment locations has implications for archaeological surveys carried out in the Australian coastal zone, as it highlights the potential of magnetic field intensity and apparent magnetic susceptibility geophysical techniques undertaken with a more refined survey methodology to afford a noninvasive, culturally appropriate means through which to detect Indigenous burials. This approach may prove particularly useful in areas with disturbed stratigraphy where ground‐penetrating radar is less effective. © 2010 Wiley Periodicals, Inc. 相似文献
215.
Richard Přikryl Jiřina Přikrylová Martin Racek Zuzana Weishauptová Kateřina Kreislová 《Environmental Earth Sciences》2017,76(7):290
A carving of the indoor main altar of St. Vitus Cathedral in Prague (Czech Republic) is made of the opuka stone—a clayey–calcareous silicite—which now exhibits the development of decay phenomena such as the formation of salt-laden case-hardened subsurface layer (approx. 150 mm thick), with detachment of the case-hardened layer manifested by blistering and/or flaking. Formation of this gypsum-rich layer is linked to the reaction of components (SO2) from polluted air (both outdoor and indoor) and from the rock itself (calcium ion from calcite). Development of brittle damage in the subsurface layer and underlying stone is interpreted based on the results from previous environmental monitoring in the Cathedral’s interior, which indicated highly fluctuating temperature and humidity, resulting in a hygrothermal stress in the material described by the “double-layer sandwich” model. The sensitivity of the studied stone to the above-mentioned processes is evidenced by its microstructural properties, specifically parameters of the pore spaces which indicate an extremely high susceptibility to damage by the actions of freezing water and/or salt crystallisation. 相似文献
216.
Kate Maher Carl I. Steefel Dave A. Stonestrom 《Geochimica et cosmochimica acta》2009,73(10):2804-2831
In order to explore the reasons for the apparent discrepancy between laboratory and field weathering rates and to determine the extent to which weathering rates are controlled by the approach to thermodynamic equilibrium, secondary mineral precipitation, and flow rates, a multicomponent reactive transport model (CrunchFlow) was used to interpret soil profile development and mineral precipitation and dissolution rates at the 226 ka Marine Terrace Chronosequence near Santa Cruz, CA. Aqueous compositions, fluid chemistry, transport, and mineral abundances are well characterized [White A. F., Schulz M. S., Vivit D. V., Blum A., Stonestrom D. A. and Anderson S. P. (2008) Chemical weathering of a Marine Terrace Chronosequence, Santa Cruz, California. I: interpreting the long-term controls on chemical weathering based on spatial and temporal element and mineral distributions. Geochim. Cosmochim. Acta72 (1), 36-68] and were used to constrain the reaction rates for the weathering and precipitating minerals in the reactive transport modeling. When primary mineral weathering rates are calculated with either of two experimentally determined rate constants, the nonlinear, parallel rate law formulation of Hellmann and Tisserand [Hellmann R. and Tisserand D. (2006) Dissolution kinetics as a function of the Gibbs free energy of reaction: An experimental study based on albite feldspar. Geochim. Cosmochim. Acta70 (2), 364-383] or the aluminum inhibition model proposed by Oelkers et al. [Oelkers E. H., Schott J. and Devidal J. L. (1994) The effect of aluminum, pH, and chemical affinity on the rates of aluminosilicate dissolution reactions. Geochim. Cosmochim. Acta58 (9), 2011-2024], modeling results are consistent with field-scale observations when independently constrained clay precipitation rates are accounted for. Experimental and field rates, therefore, can be reconciled at the Santa Cruz site.Additionally, observed maximum clay abundances in the argillic horizons occur at the depth and time where the reaction fronts of the primary minerals overlap. The modeling indicates that the argillic horizon at Santa Cruz can be explained almost entirely by weathering of primary minerals and in situ clay precipitation accompanied by undersaturation of kaolinite at the top of the profile. The rate constant for kaolinite precipitation was also determined based on model simulations of mineral abundances and dissolved Al, SiO2(aq) and pH in pore waters. Changes in the rate of kaolinite precipitation or the flow rate do not affect the gradient of the primary mineral weathering profiles, but instead control the rate of propagation of the primary mineral weathering fronts and thus total mass removed from the weathering profile. Our analysis suggests that secondary clay precipitation is as important as aqueous transport in governing the amount of dissolution that occurs within a profile because clay minerals exert a strong control over the reaction affinity of the dissolving primary minerals. The modeling also indicates that the weathering advance rate and the total mass of mineral dissolved is controlled by the thermodynamic saturation of the primary dissolving phases plagioclase and K-feldspar, as is evident from the difference in propagation rates of the reaction fronts for the two minerals despite their very similar kinetic rate laws. 相似文献