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1.
We report detailed comparisons between theoretical and empirical eigenfunctions of velocity and intensity for the 5-min modes in the photosphere. The comparison process is accomplished by obtaining synthetic profiles of the Fei 5434 Å line in the presence of waveforms given by dynamical calculations and then applying a common procedure of reduction both to the observed and to the synthetic data. For the velocity waveforms, our results show a general agreement between theory and observations together with some systematic differences; in particular the theory systematically underestimates the observations in the low photosphere. These systematic differences are stressed by the intensity results since both the computed amplitudes and phases appear to be wrong in the deeper layers. 相似文献
2.
Estimation of the framework connectivity and the atomic structure of depolymerized silicate melts and glasses (NBO/T > 0) remains a difficult question in high-temperature geochemistry relevant to magmatic processes and glass science. Here, we explore the extent of disorder and the nature of polymerization in binary Ca-silicate and ternary Ca-aluminosilicate glasses with varying NBO/T (from 0 to 2.67) using O-17 NMR at two different magnetic fields of 9.4 and 14.1 T in conjunction with quantum chemical calculations. Non-random distributions among framework cations (Si and Al) are demonstrated in the variation of relative populations of oxygen sites with NBO/T. The proportion of non-bridging oxygen (NBO, Ca-O-Si) in the binary and ternary aluminosilicate glasses increases with NBO/T. While the trend is consistent with predictions from composition, the detailed fractions apparently deviate from the predicted values, suggesting further complications in the nature of polymerization. The proportion of each bridging oxygen in the glasses also varies with NBO/T. The fractions of Al-O-Si and Al-O-Al increase with increasing polymerization as CaO is replaced with Al2O3, while that of Si-O-Si seems to decrease, implying that activity of silica may decrease from calcium silicate to polymerized aluminosilicates (XSiO2=constant). Quantum chemical molecular orbital calculations based on density functional theory show that a silicate chain with Al-NBO (Ca-O-Al) has an energy penalty (calculated cluster energy difference) of about 108 kJ/mol compared with the cluster with Ca-O-Si, consistent with preferential depolymerization of Si-networks, reported in an earlier O-17 NMR study [Allwardt, J., Lee, S.K., Stebbins, J.F., 2003. Bonding preferences of non-bridging oxygens in calcium aluminosilicate glass: Evidence from O-17 MAS and 3QMAS NMR on calcium aluminate glass. Am. Mineral.88, 949-954]. These prominent types of non-randomness in the distributions suggest significant chemical order in silicate glasses that leads to a decrease in silica activity coefficient and will be useful in modeling transport properties of melts. 相似文献
3.
In order to decipher information about the local coordination environments of Na in anhydrous silicates from 23Na nuclear magnetic resonance spectroscopy (NMR), we have collected 23Na magic angle spinning (MAS) NMR spectra on several sodium-bearing silicate and aluminosilicate crystals with known structures. These data, together with those from the literature, suggest that the 23Na isotropic chemical shift correlates well with both the Na coordination and the degree of polymerization (characterized by NBO/T) of the material. The presence of a dissimilar network modifier also affects the 23Na isotropic chemical shift. From these relations, we found that the average Na coordinations in sodium silicate and aluminosilicate liquids of a range of compositions at 1 bar are nearly constant at around 6–7. The average Na coordinations in glasses of similar compositions also vary little with Na content (degree of polymerization). However, limited data on ternary alkali silicate and aluminosilicate glasses seem to suggest that the introduction of another network-modifier, such as K or Cs, does cause variations in the average local Na coordination. Thus it appears that the average Na coordination environments in silicate glasses are more sensitive to the presence of other network-modifiers than to the variations in the topology of the silicate tetrahedral network. Further studies on silicate glasses containing mixed cations are necessary to confirm this conclusion. 相似文献
4.
Basalts, diorites, and gabbros dredged from the side of King's Trough — a mid-plate fracture on the northeast Atlantic sea floor — are alkaline in character based on major- and trace-element chemistry and mineralogy. The variation in bulk chemical composition and in mineral paragenesis and composition suggest differentiation in a large magma chamber beneath a seamount volcano. Fractional crystallization took place in a hydrous magma and is characterized by early formation of a Ti-rich biotite as rims on olivine. Thus, pyroxene compositions are unusual in having relatively low molar Ti/Al ratios, and increasing differentiation is marked by progressively decreasing ratios of K to Na. 相似文献
5.
Travis O. Sandland Jonathan F. Stebbins James D. Webster 《Geochimica et cosmochimica acta》2004,68(24):5059-5069
Chlorine-35 magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectra were collected at 14.1 and 18.8 Tesla fields to determine the atomic scale structural environments of the chloride ions in anhydrous and hydrous silicate and aluminosilicate glasses containing 0.2 to 0.7 wt% Cl. NMR peaks are broad and featureless, but are much narrower than the total chemical shift range for the nuclide in inorganic chlorides. Peak widths are primarily due to quadrupole interactions and to a lesser extent to chemical shift distributions. Peak positions are quite different for the Na- and Ca-containing glasses, suggesting that most Cl− coordination environments contain network modifier cations. Comparison of peak positions and shapes for silicate and aluminosilicate glasses containing either Na or Ca suggests that there is no obvious contribution from Cl− bonded to Al, and relative quantitation of peak areas indicates that there is no systematic undercounting of 35Cl spins in the aluminous vs. the Al-free samples. In Ca-Na silicate glasses with varying Ca/(Ca + Na), the mixed-cation glasses have intermediate chemical shifts between those of the end members, implying that there is not a strong preference of either Ca2+ or of Na+ around Cl−. Hydrous Na-aluminosilicate glasses with H2O contents up to 5.9 wt% show a shift to higher frequency NMR signal with increasing H2O content, while the quadrupole coupling constant (CQ) remains constant at ∼3.3 MHz. However, the change in frequency is much smaller than that expected if H2O systematically replaced Na+ in the first-neighbor coordination shell around Cl−. A series of hydrous Ca-aluminosilicate glasses with H2O contents up to 5.5 wt% show no shift in NMR signal with increasing H2O content. The CQ remains constant at ∼4.4 MHz, again suggesting no direct interaction between Cl− and H2O in these samples. 相似文献
6.
Dynamics of Na in sodium aluminosilicate glasses and liquids 总被引：1，自引：0，他引：1
23Na NMR measurements on Na2Si3O7, Na3AlSi6O15, and NaAlSi3O8 glasses from room temperature to 1200°C show that the dynamics and local structure of sodium in silicate/aluminosilicate glasses and melts vary with composition and temperature.The peak positions decrease in frequency between room temperature and 200°C indicating that the Na sees a larger average site as temperature is increased. Between 200°–300° and 700°C, line widths, nutation frequencies and peak positions are consistent with motional averaging of quadrupolar satellites. Above 700°C there is little or no change in the peak positions with temperature. Chemical shifts of the materials at 1000°C (Na2Si3O7: 3.6; Na3AlSi6O15:-1.3; NaAlSi3O8:-6.4 ppm) indicate a slight change in the average Na coordination number from 6–7 for the silicate to 7–8 for the aluminosilicates. 相似文献
7.
J. B. Murdoch J. F. Stebbins I. S. E. Carmichael A. Pines 《Physics and Chemistry of Minerals》1988,15(4):370-382
Silicon-29 magic-angle-spinning NMR spectroscopy has been used to investigate the silicon-aluminum distribution in natural samples of analcite and leucite (before and after heat treatment) as well as a leucite synthesized from a gel. Three different simulation programs have been developed to fit the experimental spectra. For two we assume a different aluminum occupancy fraction g i for each of the three crystallographically distinct tetrahedral sites T i in leucite and some degree of aluminum avoidance, but an otherwise random arrangement of tetrahedral cations. A third program interchanges Al and Si cations on a lattice of 3×3×3 unit cells to generate an optimized fit. All models predict that the T 2 sites in natural leucite are deficient in aluminum: g 1≈0.39, g 2≈0.16, and g 3≈0.42 for the fractional Al occupancy at each site, with apparently strict aluminum avoidance. Heat treatment of the sample at 1673 K for a week has little effect on the g i values but may create some Al-O-Al linkages. In the gel-synthesized leucite, Al occupancies are slightly more uniform than in natural leucite: g 1≈0.36, g 2≈0.20, and g 3≈0.42. For analcite, two distinctly different Si, Al distributions are obtained: (A) g 1=g 3≈0.09, g 2≈0.78 and (B) g 1=g 3≈0.46, g 2≈0.04. Additional NMR measurements on an ion-exchanged sample or an accurate determination of unit-cell dimensions could resolve this ambiguity. 相似文献
8.
J. F. Stebbins J. B. Murdoch I. S. E. Carmichael A. Pines 《Physics and Chemistry of Minerals》1986,13(6):371-381
29Si magic-angle spinning nuclear magnetic resonance (NMR) spectra are presented for seven crystalline phases of the nepheline group: natural nephelines from a plutonic environment (Bancroft, Ontario) and a volcanic deposit (Mt. Somma, Italy), kalsilite, synthetic pure Na nepheline, carnegieite, and two samples of orthorhombic KAlSiO4. In all phases, nearly all of the Si sites have four Al neighbors, indicating nearly complete Al-Si ordering. Excess Si over the 1:1 stoichiometric Si/Al ratio appears to substitute randomly for Al on an ordered lattice, adding Si sites with 3 and 0 Al neighbors in a 3:1 ratio. Various types of structural disorder, including Al-Si disorder, that are reported from some x-ray diffraction studies are probably long range in nature and are due to the presence of ordered domains. In naturally occurring nepheline, the relative abundance of T sites with three-fold local symmetry is maintained at the ideal stoichiometric value of 1/4, even when the K/(K+Na) ratio is substantially lower. This is in agreement with conclusions reached about the average structure from x-ray data. The distinction between the two sites, at least in terms of the local structure that is reflected in 29Si NMR chemical shifts, is lost in a pure Na nepheline sample. 相似文献
9.
J. F. Stebbins I. S. E. Carmichael L. K. Moret 《Contributions to Mineralogy and Petrology》1984,86(2):131-148
The heat capacities of several dozen silicate glasses and liquids composed of SiO2, TiO2, Al2O3, Fe2O3, FeO, MgO, CaO, BaO, Li2O, Na2O, K2O, and Rb2O have been measured by differential scanning and drop calorimetry. These results have been combined with data from the literature to fit C
pas a function of composition. A model assuming ideal mixing (linear combination) of partial molar heat capacities of oxide components (each of which is independent of composition), reproduces the glass data within error. The assumption of constancy of ¯C
p,iis less accurate for the liquids, but data are not sufficient to adequately constrain a more complex model. For liquids containing alkali metal and alkaline earth oxides, heat capacities are systematically greater in liquids with high field strength network modifying cations. Entropies of fusion (per g-atom) and changes of configurational entropy with temperature, are similarly affected by composition. Both smaller cation size and greater charge are therefore inferred to lead to greater development of new structural configurations with increasing temperature in silicate liquids. 相似文献
10.
Time-sequences of line profile data have been subjected to a unique analysis which produces an amplitude and phase of the velocity and intensity at several line depths for each time sample and spatial point on the Sun. The data have been filtered to pass only the frequencies and spatial wavenumbers of the 5-min band. Yet, a secondary oscillation emerges, the phase of which propagates downward. Empirical eigenfunctions for velocity and intensity are given, and the kinetic energy flux is computed.Operated by the Association of Universities for Research in Astronomy under contract with the National Science Foundation. 相似文献