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41.
Atomistic simulations have been carried out to investigate the mechanisms of noble gas incorporation in minerals using both the traditional two-region approach and the “supercell” method. The traditional two-region approach has been used to calculate defect energies for Ne, Ar, Kr and Xe incorporation in MgO, CaO, diopside and forsterite in the static limit and at one atmosphere pressure. The possibilities of noble gas incorporation via both substitution and interstitial mechanisms are studied. The favored mechanism varies from mineral to mineral and from noble gas to noble gas. In all minerals studied, the variation of the solution energies of noble gas substitution with atomic radius appears approximately parabolic, analogous to those for 1+, 2+, 3+ and 4+ trace element incorporation on crystal lattice sites. Noble gas solution energies thus also fall on a curve, similar to those previously observed for cations with different charges, but with much lower curvature.The “supercell” method has been used to investigate the pressure dependence of noble gas incorporation in the same systems. Results indicate a large variation of the solubility of the larger noble gases, Kr and Xe with pressure. In addition, explicit simulation of incorporation at the (0 0 1) surface of MgO shows that the solubility of the heavier noble gases may be considerably enhanced by the presence of interfaces. 相似文献
42.
In natural weathering systems, both the chemistry and the topography of mineral surfaces change as rocks and minerals equilibrate to surface conditions. Most geochemical research has focused on changes in solution chemistry over time; however, temporal changes in surface topography may also yield information about rates and mechanisms of dissolution. We use stochastic dissolution simulations of a regular 2-D lattice with reaction mechanisms defined in terms of nearest neighbor interactions to elucidate how the surface area and reactivity of a crystal evolve during dissolution. Despite the simplicity of the model, it reproduces key features observed or inferred for mineral dissolution. Our model results indicate that: (i) dissolving surfaces reach a steady-state conformation after sufficient dissolution time, (ii) linear defects cause surface area and dissolution rate to vary in concert with one another, (iii) sigmoidal and non-sigmoidal rate vs. free-energy of reaction (ΔGrxn) behavior can be rationalized in terms of the multiple steps occurring during dissolution, and (iv) surface roughness as a function of ΔGrxn is highly sensitive to the reaction mechanism. When simulated times to reach steady-state are compared to published time series rate data using suitable scaling, good agreement is found for silicate minerals while the model significantly over-predicts the duration of the transient for Fe and Al oxides. The implication of our simple model is that many aspects of mineral dissolution behavior, including approach to steady-state, sigmoidal vs. non-sigmoidal rate vs. ΔGrxn behavior, and development of rougher surfaces in conditions further from equilibrium can be explained by nearest neighbor interactions and simple Kossel-type models where reactivity of a surface is defined in terms of perfect surface, step, and kink sites. 相似文献
43.
A. van Geen K. Radloff Z. Aziz Z. Cheng M.R. Huq K.M. Ahmed B. Weinman S. Goodbred H.B. Jung Y. Zheng M. Berg P.T.K. Trang L. Charlet J. Metral D. Tisserand S. Guillot S. Chakraborty A.P. Gajurel B.N. Upreti 《Applied Geochemistry》2008
One of the reasons the processes resulting in As release to groundwater in southern Asia remain poorly understood is the high degree of spatial variability of physical and chemical properties in shallow aquifers. In an attempt to overcome this difficulty, a simple device that collects groundwater and sediment as a slurry from precisely the same interval was developed in Bangladesh. Recently published results from Bangladesh and India relying on the needle-sampler are augmented here with new data from 37 intervals of grey aquifer material of likely Holocene age in Vietnam and Nepal. A total of 145 samples of filtered groundwater ranging in depth from 3 to 36 m that were analyzed for As (1–1000 μg/L), Fe (0.01–40 mg/L), Mn (0.2–4 mg/L) and S (0.04–14 mg/L) are compared. The P-extractable (0.01–36 mg/kg) and HCl-extractable As (0.04–36 mg/kg) content of the particulate phase was determined in the same suite of samples, in addition to Fe(II)/Fe ratios (0.2–1.0) in the acid-leachable fraction of the particulate phase. Needle-sampler data from Bangladesh indicated a relationship between dissolved As in groundwater and P-extractable As in the particulate phase that was interpreted as an indication of adsorptive equilibrium, under sufficiently reducing conditions, across 3 orders of magnitude in concentrations according to a distribution coefficient of 4 mL/g. The more recent observations from India, Vietnam and Nepal show groundwater As concentrations that are often an order of magnitude lower at a given level of P-extractable As compared to Bangladesh, even if only the subset of particularly reducing intervals characterized by leachable Fe(II)/Fe >0.5 and dissolved Fe >0.2 mg/L are considered. Without attempting to explain why As appears to be particularly mobile in reducing aquifers of Bangladesh compared to the other regions, the consequences of increasing the distribution coefficient for As between the particulate and dissolved phase to 40 mL/g for the flushing of shallow aquifers of their initial As content are explored. 相似文献
44.
V. A. Lebedev S. N. Bubnov O. Z. Dudauri G. T. Vashakidze 《Stratigraphy and Geological Correlation》2008,16(2):204-224
Isotopic-geochronological study of the Pliocene magmatic activity in western part of the Dzhavakheti Highland (northwestern region of the Lesser Caucasus) is carried out. The results obtained imply that the Pliocene magmatic activity lasted in this part of the highland approximately 2 million years from 3.75 to 1.75–1.55 Ma. As is established, the studied volcanic rocks correspond in composition mostly to K-Na subalkaline and more abundant normal basalts. Time constraints of main phases in development of basic volcanism within the study region are figured out. We assume that individual pulses of silicic to moderately silicic volcanism presumably took place in the Dzhavakheti Highland about 3.2 and 2.5 Ma ago. 相似文献
45.
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47.
Surface waves are the roughness element of the ocean surface. The parameterization of the drag coefficient of the ocean surface is simplified by referencing to wind speed at an elevation proportional to the characteristic wavelength. The dynamic roughness is analytically related to the drag coefficient. Under the assumption of fetch limited wave growth condition, various empirical functions of the dynamic roughness can be converted to equivalent expressions for comparison. For datasets covering a wide range of the dimensionless frequency (inverse wave age), it is important to account for the variable rate of wave development at different wave ages. As a result, the dependence of the Charnock parameter on wave age is nonmonotonic. Finally, the analysis presented here suggests that the significant wave steepness is a sensitive property of the ocean surface and a single variable normalization of the dynamic roughness using a wavelength or wave height parameter actually produces more robust functions than bi-variable normalizations using wave height and wave slope. 相似文献
48.
Yoichi?ShimadaEmail author Atsushi?Kubokawa Kay?I.?Ohshima 《Journal of Oceanography》2005,61(5):913-920
Recent observations suggest that the annual mean southward transport of the East Sakhalin Current (ESC) is significantly larger
than the annual mean Sverdrup transport. Motivated by this observational result, transport of a western boundary current has
been investigated using a simple numerical model with a western slope. This transport is defined as the instantaneous barotropic
transport integrated from the western boundary to the offshore point where the barotropic velocity vanishes. The model, forced
by seasonally varying wind stress, exhibits an annual mean of the western boundary current transport that is larger than that
of the Sverdrup transport, as observed. The southward transport from October to March in the model nearly equals the instantaneous
Sverdrup transport, while the southward transport from April to September decreases slowly. Although the Sverdrup transport
in July vanishes, the southward transport in summer nearly maintains the annual mean Sverdrup transport, because the barotropic
Rossby wave cannot intrude on the western slope. This summer transport causes the larger annual mean. Although there are some
uncertainties in the estimation of the Sverdrup transport in the Sea of Okhotsk, the seasonal variation of the southward transport
in the model is qualitatively similar to the observations. 相似文献
49.
The three-dimensional problem of the dynamics of a moored floating object under the action of regular waves is solved numerically as a boundary value problem by use of the finite-infinite element method. The cross-sectional shape of the floating body and the mooring arrangements may all be arbitrary. The mathematical formulations of the problem and procedures of the numerical method are presented in this paper. A corresponding computer program WALOAD has been developed, which is capable of computing wave forces on fixed and floating structures. Numerical computations using this program could give very accurate results, even though rather coarse meshes were used. The program is easy to use and is readily applicable in many practical situations. 相似文献
50.
Riccardo?Geletti Emanuele?LodoloEmail author Anatoly?A.?Schreider Alina?Polonia 《Marine Geophysical Researches》2005,26(1):17-28
The structural framework of the southern part of the Shackleton Fracture Zone has been investigated through the analysis of
a 130-km-long multichannel seismic reflection profile acquired orthogonally to the fracture zone near 60° S. The Shackleton
Fracture Zone is a 800-km-long, mostly rectilinear and pronounced bathymetric lineation joining the westernmost South Scotia
Ridge to southern South America south of Cape Horn, separating the western Scotia Sea plate from the Antarctic plate. Conventional
processing applied to the seismic data outlines the main structures of the Shackleton Fracture Zone, but only the use of enhanced
techniques, such as accurate velocity analyses and pre-stack depth migration, provides a good definition of the acoustic basement
and the architecture of the sedimentary sequences. In particular, a strong and mostly continuous reflector found at about
8.0 s two-way traveltime is very clear across the entire section and is interpreted as the Moho discontinuity. Data show a
complex system of troughs developed along the eastern flank of the crustal ridge, containing tilted and rotated blocks, and
the presence of a prominent listric normal fault developed within the oceanic crust. Positive flower structures developed
within the oceanic basement indicate strike-slip tectonism and partial reactivation of pre-existing faults. Present-day tectonic
activity is found mostly in correspondence to the relief, whereas fault-induced deformation is negligible across the entire
trough system. This indicates that the E–W-directed stress regime present in the Drake Passage region is mainly dissipated
along a narrow zone within the Shackleton Ridge axis. A reappraisal of all available magnetic anomaly identifications in the
western Scotia Sea and in the former Phoenix plate, in conjunction with new magnetic profiles acquired to the east of the
Shackleton Fracture Zone off the Tierra del Fuego continental margin, has allowed us to propose a simple reconstruction of
Shackleton Fracture Zone development in the general context of the Drake Passage opening. 相似文献