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1.
Experiments carried out in the system granite-H2O-HF at 0.1 GPa show that the crystal-liquid equilibrium temperature of quartz rises and that of alkali-feldspar goes down with increasing F content. The calculated results of quartz and alkali feldspar crystal-liquid equilibrium show that the activity of SiO2 in melt increases and the activities of NaAlSi3O8(Ab) and KAlSi3O8(Or) decrease, with a greater decreasing extent for a Ab L than a Or L . These systematic changes are believed to be caused by F complexing with Al, Na, K, but not Si in the melt, and are consistent with F decomposing AlO 2 ? tetrahedra and more preferentially forming complexes with Na than K. The comparison between effects of F and H2O on phase equilibrium suggests that the maximum difference affecting melt structure between F and OH is F complexing without Si and OH complexing with Si in granitic melt. 相似文献
2.
J. A. Tossell 《Physics and Chemistry of Minerals》1990,17(2):133-141
Electric dipole polarizabilities have been calculated from first principles of quantum mechanics for the BO 3 3? , CO 3 2? , NO 3 ? series and for NO 2 ? and LiNO3(g). Calculated trends in average polarizability and polarizability anisotropy in the BO 3 3? -NO 3 ? series are in agreement with experiment and can be qualitatively interpreted in terms of the varying energies of the a1′, a2″ and e′ symmetry unoccupied MO's of the oxyanions. Embedding a CO 3 2? ion in a D3h symmetry array of divalent cations reduces both the average polarizability and its anisotropy, particularly when diffuse s and p functions are included in the calculation. Calculations on the gas phase LiNO3 molecule and on the free NO 3 ? ion in the distorted geometry found in LiNO3(g) allow us to separate polarizability contributions internal to the NO 3 ? and Li+ ions from those which arise from the Li+-NO 3 ? interaction. The Li+-NO 3 ? interaction term so obtained is much smaller than the NO 3 ? contribution but is in turn larger than the Li+ contribution, suggesting that the inclusion of this interaction term is essential for obtaining accurate results for ion pairs. Although static polarizabilities are in reasonable agreement with experiment for NO 3 ? the wavelength dispersion of the polarizability is underestimated by about a factor of two, apparently as a result of inadequacies in the quantum mechanical method. Calculated values are also presented for 14N NMR shieldings in the nitrogen oxyanions but these are in only qualitative agreement with the experimental values. Similarly, calculated values of magnetic susceptibility are in only qualitative agreement with experiment although trends along the BO 3 3? -NO 3 ? series are properly reproduced. 相似文献
3.
Friedemann Freund 《Physics and Chemistry of Minerals》1987,15(1):1-18
The dissolution of H2O and CO2 in structurally dense, nominally anhydrous and non-carbonate oxide matrices such as MgO and CaO is reviewed. H2O and CO2 are treated as gaseous oxide components which enter into solid solution with the refractory oxide hosts. They form anion complexes associated with cation vacancy sites. Evidence is presented that OH? pairs which derive from the dissolution of H2O are subject to a charge transfer (CT) conversion into peroxy moieties and molecular hydrogen, O 2 2? ... H2. Because the O 2 2? moiety is small (O?-O? distance ≈ 1.5 Å) high pressure probably favors the CT conversion. Mass spectroscopic studies show that molecular H2 may be lost from the solid which retains excess oxygen in the form of O 2 2? , leading to the release of atomic O. The dissociation of O 2 2? moieties into a vacancy-bound O? state and an unbound O? state can be followed by measuring the internal redox reactions involving transition metal impurities, the transient paramagnetism of the O? and their effect on the d.c. conductivity. Evidence is presented that CO2 molecules dissolve dissociatively in the structurally dense oxide matrix, as if they were first to dissociate into CO+O and then to form separate solute moieties CO 2 2? and O 2 2? , both associated with cation vacancy sites. In the CO 2 2? moiety (C-O? distance 1.2–1.3 Å, OCO angle ≈ 130°) the C atom probably sits off center. The transition of the C atom into interstitial sites is accompanied by dissociation of the CO 2 2? moiety into CO? and O?. This transition can be followed by infrared spectroscopy, using OH? as local probes. Further support derives from magnetic susceptibility, thermal expansion, low frequency dielectric loss and low temperature deformation measurements. The recently observed emission of O and Mg atoms besides a variety of molecules such as CO, CO2, CH4, HCN and other hydrocarbons during impact fracture of MgO single crystals is presented and discussed in the light of the other experimental data. 相似文献
4.
The temperature dependence of the lattice parameters of pure anorthite with high Al/Si order reveals the predicted tricritical behaviour of the \(I\bar 1 \leftrightarrow P\bar 1\) phase transition at T c * =510 K. The spontaneous strain couples to the order parameter Q° as x i∝S xQ i Q°2 with S xQ 1 =4.166×10?3, S xQ 2 =0.771×10?3, S xQ 3 =?7.223×10?3 for the diagonal elements. The temperature dependence of Q° is $$Q^{\text{o}} = \left( {1 - \frac{T}{{510}}} \right)^\beta ,{\text{ }}\beta = \tfrac{{\text{1}}}{{\text{4}}}$$ A strong dependence of T c * , S xQ i and β is predicted for Al/Si disordered anorthite. 相似文献
5.
N. Subba Rao G. Vidyasagar P. Surya Rao P. Bhanumurthy 《Journal of the Geological Society of India》2014,84(4):494-500
Hydrogeochemical studies have been carried out in a coastal region, using multivariate statistical model, for better understanding the controlling processes that influence the aquifer chemistry. Two principal components (PC1 and PC2) are extracted from the data set of chemical variables (pH, TDS, Ca2+, Mg2+, Na+, K+, HCO 3 ? , Cl?, SO 4 2? , NO 3 ? and F?), which account for 79% of the total variation in the quality of groundwater. The PC1 (salinity controlled process) includes the concentrations of TDS, Mg2+, Na+, K+, Cl?, SO 4 2? and NO 3 ? , while the PC2 (alkalinity controlled process) comprises the concentrations of pH, HCO 3 ? and F?. The spatial distribution of PC scores identifies the locations of high salinity and alkalinity processes. The first process corresponds to the influences of geogenic, anthropogenic and marine sources, and the second one to the influence of water-soil-rock interaction. Thus, the present study shows the usefulness of multivariate statistical model as an effective means of interpretation of spatial controlling processes of groundwater chemistry. 相似文献
6.
Carole Le Bail Jean-Hugues Thomassin Jean-Claude Touray 《Physics and Chemistry of Minerals》1987,14(4):377-382
Hydrotalcite-like solid solutions have been synthesized by coprecipitation in basic solutions with variable SO 4 2? /CO 3 2? ratios. Chemical determination of CO 3 2? in the interlayer was impossible because of the presence of minor hydromagnesite. SO 4 2? was determined both by chemical analysis and X-ray photoelectron spectroscopy (XPS), the two methods giving similar results. A Raman spectrometry gave additional data on the SO 4 2? /CO 3 2? ratio. Then, the stoichiometry of the anionic interlayers, X s , X c , and X OH were determined, and the influence of X s on the c′ parameter (increasing from c′=7.97 Å to c′=8.63 Å between X s =0 and X s =1) was characterized. In addition, a partitioning curve of SO 4 2? and CO 3 2? between aqueous solutions and hydrotalcite-like compounds was established. Its general shape strongly suggests a miscibility gap between a sulfate-rich end and a carbonate-rich solid solution (maximum SO 4 2? /CO 3 2? about 0.2). This result explains why most of the hydrotalcites synthesized during experimental alteration of basaltic glasses by sea-water (a sulfate-rich solution) are CO 3 2? -rich solid solutions. 相似文献
7.
Hamed A. Keykha Bujang B. K. Huat Afshin Asadi 《Geotechnical and Geological Engineering》2014,32(4):739-747
The carbonate (CO 3 ?2 ) produced by Sporosarcina pasteurii was injected electrokinetically to enhance the mechanical properties of soft clay soils. In this method the Ca2+ was injected into the anode chamber and moved towards the cathode by electromigration and electroosmotic flow. Then the released CO 3 ?2 from a blend of bacteria and urea was injected into the cathode chamber. The CO 3 ?2 ions were moved from the cathode to the anode under electromigration mechanism. The CaCO3 was precipitated in the presence of calcium in porous medium of the soil, and consequently increased the shear strength of the soil. The polarity reversal was applied to have a homogeneous distribution of CaCO3. 相似文献
8.
Simon A. T. Redfern Ann Graeme-Barber Ekhard Salje 《Physics and Chemistry of Minerals》1988,16(2):157-163
The lattice parameters of anorthites An98Ab2 and An100 have been measured from 22 to 1100 K. The spontaneous strain arising from the \(I\overline 1 - P\overline 1\) displacive transition in An98 follows second order Landau behaviour. The spontaneous strain (? s) couples quadratically to the order parameter (Q 0) with ? s∝Q 02∝(T c * ?T) and T c * =530 K in An98. This is in contrast to the tricritical behaviour observed in pure anorthite. These observations are consistent with a Landau model for the free energy of Ca-rich plagioclases in which Al/Si order and Na content renormalize the fourth order coefficient. 相似文献
9.
The borate polyhedra BO 3 3? , B(OH)3, BO 4 5? , and B(OH) 4 ? are studied using the ab initio and multiple scattering Xα quantum mechanical methods. The ab initio self-consistent-field (SCF) molecular orbital (MO) method, at the minimum basis set level, predicts equilibrium B-O distances within 0.04 Å of their average values in solids so long as the polyhedron charge is small. Orbital energies from double zeta basis set ab initio calculations and analogies with isoelectric compounds are used to assign the X-ray spectra of BO 3 3? and to predict the valence region spectra of BO 4 5? . Contour maps of the difference between molecular and superimposed free atom electron densities show charge buildup along the B-O bond which is only slightly smaller than that observed in CO 3 2? . 相似文献
10.
In this paper we discuss the main petrogenetic models for granitic pegmatites and how these models have evolved over time. We suggest that the present state of knowledge requires that some aspects of these models to be modified, or absorbed into newer ones. Pegmatite formation and internal evolution have long supposed the need for highly water- and flux-enriched magmas to explain the differences between pegmatites and other intrusives of similar major element composition. Compositions and textural characteristics of fluid and melt inclusions in pegmatite minerals provide strong evidence for such magmas. Furthermore, we show that melt inclusion research has increased the number of potential flux components, which may include H2O, OH?, CO2, HCO 3 ? , CO 3 2? , SO 4 2? , PO 4 3? , H3BO3, F , and Cl, as well as the elements Li, Na, K, Rb, Cs, and Be, herein described as melt structure modifiers. In this paper we emphasize that the combined effect which these components have on the properties of pegmatite melts is difficult to deduce from experimental studies using only a limited number of these components. The combination and the amount of the different magmatic species, together with differences in the source region, and variations in pressure and temperature cause the great diversity of the pegmatites observed. Some volatile species, such as CO 3 2? and alkalis, have the capacity to increase the solubility of H2O in silicate melt to an extraordinary degree, to the extent that melt-melt-fluid immiscibility becomes inevitable. It is our view that the formation of pegmatites is connected with the complex interplay of many factors. 相似文献
11.
Fouad Bahri Hakim Saibi Mohammed-El-Hocine Cherchali 《Arabian Journal of Geosciences》2011,4(1-2):207-219
In this study, the physicochemical parameters (Conductivity, pH, Cl?, HCO 3 ? , PO 4 3? , SO 4 2? , NO 3 ? , NO 2 ? , F?, TH, Ca2+, K+, Mg2+, Na+, and DS) were determined for 41 samples collected from fourteen places in Algeria. The temperature of the thermal water samples at collection sites varied from 26°C to 86°C. pH values varied from 6.5 to 8.5 (i.e., from slightly acidic to moderately alkaline); 90.24% of the samples exhibited relatively high salinity (DS?=?550–5,500 mg L?1). Total hardness measurements indicated these waters to be moderately hard. Forty-six percent of the samples are Na–Cl in character. The ratios Na+/Ca2+, Na+/Mg2+, and (Na+ + K+)/(Ca2+ + Mg2+) were high in 90.24% of the samples. This indicates the ion exchange process is important, which indicates that most of the Algerian thermal waters had developed over a long period at a depth sufficient to react with the rock. Statistical analyses of the physicochemical data gave positive correlation values, thereby enabling good interpretation of the results and revealing the composition of ions present in the thermal waters, as well as some information about their origin. The therapeutic properties associated with thermal waters encourage people at spas to drink the water they bathe in. Therefore, we examined the drinkability of these thermal waters. World Health Organization (WHO 1993) standards were used to evaluate the thermal water quality for drinking. With respect to hardness, the samples were classified as moderately hard (58.54% of the samples), very hard (36.58% of the samples), and soft (4.88% of the samples). The drinkability study shows that only 16 samples of the investigated waters were drinkable and thus could be consumed without special precaution. 相似文献
12.
Ali M. Subyani 《Arabian Journal of Geosciences》2012,5(3):501-511
The groundwater of Wadi Na??man, located in the western Saudi Arabia, is subject to intense exploitation to accommodate all the water demands of this arid area. The groundwater of its shallow aquifer undergoes significant decline in water level, increasing salinity due to long time of aridity and irregular rainfall. A multivariate statistical technique, factor analysis, was used to identify and understand hydrochemical association and processes leading to the variability of groundwater quality without losing any information of input pattern and avoid limitations that are associated with classical methods. R- and Q-modes of factor analysis were applied to 63 groundwater samples and 21 variables. This analysis revealed that three factors accounted for 55.9% of the total data variability. Factor 1 was dominated by Ca2+, Mg+, Na+, Cl?, and SO 4 2? , as well as trace elements such as phosphorus and boron, suggesting effects from possible water?Csoil/rock interaction and agricultural activities. Factor 2 represented high aluminum loading as a result of the weathering of aluminum silicate minerals. Factor 3 revealed negative loading of dissolved CO3 and Zn, indicating long-term aridity. Plots of Factor 1 versus Factor 2 and Factor 3 demonstrated that the samples clustered into one group with good separation from outliers. In addition, assessment of the drinking quality suggested that salinity increases with SO 4 2? ?CCl??CCa2+. 相似文献
13.
Kimberly A. Null Natasha T. Dimova Karen L. Knee Bradley K. Esser Peter W. Swarzenski Michael J. Singleton Mark Stacey Adina Paytan 《Estuaries and Coasts》2012,35(5):1299-1315
Submarine groundwater discharge (SGD) was quantified at select sites in San Francisco Bay (SFB) from radium (223Ra and 224Ra) and radon (222Rn) activities measured in groundwater and surface water using simple mass balance box models. Based on these models, discharge rates in South and Central Bays were 0.3?C7.4?m3?day?1?m?1. Although SGD fluxes at the two regions (Central and South Bays) of SFB were of the same order of magnitude, the dissolved inorganic nitrogen (DIN) species associated with SGD were different. In the South Bay, ammonium (NH 4 + ) concentrations in groundwater were three-fold higher than in open bay waters, and NH 4 + was the primary DIN form discharged by SGD. At the Central Bay site, the primary DIN form in groundwater and associated discharge was nitrate (NO 3 ? ). The stable isotope signatures (??15NNO3 and ??18ONO3) of NO 3 ? in the South Bay groundwater and surface waters were both consistent with NO 3 ? derived from NH 4 + that was isotopically enriched in 15N by NH 4 + volatilization. Based on the calculated SGD fluxes and groundwater nutrient concentrations, nutrient fluxes associated with SGD can account for up to 16?% of DIN and 22?% of DIP in South and Central Bays. The form of DIN contributed to surface waters from SGD may impact the ratio of NO 3 ? to NH 4 + available to phytoplankton with implications to bay productivity, phytoplankton species distribution, and nutrient uptake rates. This assessment of nutrient delivery via groundwater discharge in SFB may provide vital information for future bay ecological wellbeing and sensitivity to future environmental stressors. 相似文献
14.
An experimental study of the particulars of the solubility and crystallization of brushite Ca(HPO4) · 2H2O from aqueous solution in conditions of a variable pH (6.0–3.0) and the contents of impurity ions (K+, Na+, NH 4 + , Mg2+, SO 4 2? , CO 3 2? ) has been conducted. It is established that brushite solubility markedly rises with a decrease in pH from 6 to 3 and slightly rises with an increase in Mg2+ and SO 4 2? concentrations. The enrichment in K+, Na+, and NH 4 + does not affect brushite solubility. The changeable chemistry of the medium results in variation of the synthetic crystal habit, from rhombic tabular to thickened prismatic crystals. 相似文献
15.
Laihunite Research Group 《中国地球化学学报》1982,1(1):105-114
Laihuite reported in the present paper is a new iron silicate mineral found in China with the following characteristics:
- This mineral occurs in a metamorphic iron deposit, associated with fayalite, hypersthene, quartz, magnetitc, etc.
- The mineral is opaque, black in colour, thickly tabular in shape with luster metallic to sub-metallic, two perfect cleavages and specific gravity of 3.92.
- Its main chemical components are Fe and Si with Fe3+>Fe2+. The analysis gave the formula of Fe Fe 1.00 3+ ·Fe 0.58 2+ ·Mg 0.03 2+ ·Si0.96O4.
- Its DTA curve shows an exothermic peak at 713°C.
- The mineral has its own infrared spectrum distinctive from that of other minerals.
- This mineral is of orthorhombic system; space group:C 2h /5 ?P21/c; unit cell:α=5.813ű0.005,b=4.812ű0.005,c=10.211ű0.005,β=90.87°.
- The Mössbauer spectrum of this mineral is given, too.
16.
The electron paramagnetic resonance (EPR) spectra of Fe3+ in a well cristallized kaolinite from Decazeville in France are well resolved. It is shown that in this sample there are mainly two slightly different spectra, well separated at low temperature and characterized at -150° C by the constants B 2 0 = 0.112 cm?1, B 2 2 = 0.0688 cm?1 for one and B 2 0 = 0.116 cm?1, B 2 2 = 0.0766 cm?1 for the second. These two spectra arise from Fe3+ substituted for Al3+ at the two octahedral positions in equal amounts. The temperature dependence of EPR spectra was studied and was explained by a modification of the octahedral sites. 相似文献
17.
Ionic conductivity of polycrystalline calcite containing varying amounts of PO 4 3? ions was measured in the pressure range of 1–6 GPa and at room temperature. Electrical conductivity increased with pressure corresponding to the phase transition of calcite I to calcite II. The conductivity in calcite III decreased exponentially with pressure. Calculated activation volumes of the conductivity varied with PO 4 3? content in the range of 0.94–5.34 cm3/mol. This variation corresponded to the lattice parameter change of calcite I due to PO 4 3? incorporation and indicated the contribution of CO 3 2? -vacancies associated with PO 4 3? ions to the conductivity. 相似文献
18.
M. Vasanthavigar K. Srinivasamoorthy R. Rajiv Ganthi K. Vijayaraghavan V. S. Sarma 《Arabian Journal of Geosciences》2012,5(2):245-258
Thirumanimuttar sub-basin is of particular importance in the study of groundwater quality due to the release of effluents from industries, agricultural, sewage and urban runoff, brining considerable change in water quality. An investigation was carried out by collecting a total of 194 groundwater samples for two seasons to decipher hydrogeochemistry and groundwater quality for determining its suitability for agricultural purposes. The water is neutral to alkaline in nature with pH ranging from 6.78 to 9.22 with an average of 7.37. Higher electrical conductivity (EC) was noted in NW and mid-downstream parts of the study area. Higher NO 3 ? was observed during post-monsoon (POM) due to the action of leaching and anthropogenic process. The piper plot reveals the dominance of Na+?CCl? and Na+?CHCO 3 ? , mixed Ca2+?CNa+?CHCO 3 ? , mixed Ca2+?CMg2+?CHCO 3 ? and Ca2+?CSO 4 ? types of hydrogeochemical facies. Higher total hardness in the groundwater is due to the effect of dyeing and bleaching industries discharging effluents affects the quality of water. Residual Sodium Carbonate value indicates 56% of the samples are not suitable for irrigation purposes in both seasons. Higher sodium percentage is noted during PRM indicating the dominance of ion exchange and weathering. Higher sodium adsorption ratio was observed during POM indicating the effect of leaching and dissolution of salts into the aquifer matrix. USSL plot indicates 15% of samples record high salinity to medium sodicity. The Permeability Index indicates water is moderate to good for irrigation purposes. In general, groundwater in the study area is influenced by both natural and anthropogenic activities. 相似文献
19.
We have developed models for the thermody-namic properties of nephelines, kalsilites, and leucites in the simple system NaAlSiO4?KAlSiO4?Ca0.5AlSiO4?SiO2?H2O that are consistent with all known constraints on subsolidus equilibria and thermodynamic properties, and have integrated them into the existing MELTS software package. The model for nepheline is formulated for the simplifying assumptions that (1) a molecular mixing-type approximation describes changes in the configurational entropy associated with the coupled exchange substitutions □Si?NaAl and □Ca? Na2 and that (2) Na+ and K+ display long–range non-convergent ordering between a large cation and the three small cation sites in the Na4Al4Si4O16 formula unit. Notable features of the model include the prediction that the mineral tetrakalsilite (“panunzite”, sensu stricto) results from anti-ordering of Na and K between the large cation and the three small cation sites in the nepheline structure at high temperatures, an average dT/dP slope of about 55°/kbar for the reaction over the temperature and pressure ranges 800–1050 °C and 500–5000 bars, roughly symmetric (i.e. quadratic) solution behavior of the K–Na substitution along joins between fully ordered components in nepheline, and large positive Gibbs energies for the nepheline reciprocal reactions and and for the leucite reciprocal reaction 相似文献
20.
Localized zones of denitrification in a floodplain aquifer in southern Wisconsin, USA 总被引:1,自引:0,他引:1
A floodplain aquifer within an agricultural watershed near Madison, Wisconsin (USA), was studied to determine whether denitrification was occurring below the surface organic layer. Groundwater levels and concentrations of O2, Cl?, NO 3 ? , SO 4 2? , dissolved organic carbon (DOC), and major cations were monitored over a 1-year period along a 230-m transect between an agricultural field and a stream discharge point. Seventeen groundwater samples were analyzed for δ15NNO3 and δ18ONO3 composition. Samples in which NO 3 ? was too low for stable isotope analysis were analyzed for excess dissolved N2. Groundwater NO 3 ? concentrations declined between the agricultural field and the discharge point. Chloride and δ15NNO3/δ18ONO3 data indicated that the drop in NO 3 ? was caused primarily by dilution of shallow NO 3 ? -rich water with deeper, NO 3 ? -depleted groundwater. Two localized zones of denitrification were identified in the upland-wetland transition by their δ15NNO3 and δ18ONO3 signatures, and two in the stream hyporheic zone by the presence of excess dissolved N2. The combined stratigraphic, hydrologic, and geochemical data in these locations correspond to groundwater mixing zones where NO 3 ? is delivered to subsurface layers that support denitrification fueled by dissolved (e.g. DOC or dissolved Fe(II)) and/or solid-phase (e.g. particulate organic carbon, solid-associated Fe(II), or pyrite) electron donors. 相似文献