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1.
 The relative stabilities of orthozoisite, Ca2Al3[O|OH|Si2O7|SiO4], space group Pnma, and the monoclinic polymorph, clinozoisite, space group P21/m, have been investigated using calculations based on density functional theory. It is found that orthozoisite is more stable than clinozoisite by about 1 kJ mol−1 at zero pressure in the athermal limit. The bulk moduli of the two polymorphs have been calculated to be Bortho=117.5(1.7) GPa and Bclino=136(4) GPa. Received: 20 March 2000 / Accepted: 26 February 2001  相似文献   

2.
 Infrared absorption spectra of brucite Mg (OH)2 were measured under high pressure and high temperature from 0.1 MPa 25 °C to 16 GPa 360 °C using infrared synchrotron radiation at BL43IR of Spring-8 and a high-temperature diamond-anvil cell. Brucite originally has an absorption peak at 3700 cm−1, which is due to the OH dipole at ambient pressure. Over 3 GPa, brucite shows a pressure-induced absorption peak at 3650 cm−1. The pressure-induced peak can be assigned to a new OH dipole under pressure. The new peak indicates that brucite has a new proton site under pressure and undergoes a high-pressure phase transition. From observations of the pressure-induced peak under various P–T condition, a stable region of the high-pressure phase was determined. The original peak shifts to lower wavenumber at −0.25 cm−1 GPa−1, while the pressure-induced peak shifts at −5.1 cm−1 GPa−1. These negative dependences of original and pressure-induced peak shifts against pressure result from enhanced hydrogen bond by shortened O–H···O distance, and the two dependences must result from the differences of hydrogen bond types of the original and pressure-induced peaks, most likely from trifurcated and bent types, respectively. Under high pressure and high temperature, the pressure-induced peak disappears, but a broad absorption band between 3300 and 3500 cm−1 was observed. The broad absorption band may suggest free proton, and the possibility of proton conduction in brucite under high pressure and temperature. Received: 16 July 2001 / Accepted: 25 December 2001  相似文献   

3.
Mechanisms of hydrogen incorporation and diffusion in iron-bearing olivine   总被引：1，自引：1，他引：0  
The incorporation and diffusion of hydrogen in San Carlos olivine (Fo90) single crystals were studied by performing experiments under hydrothermal conditions. The experiments were carried out either at 1.5 GPa, 1,000°C for 1.5 h in a piston cylinder apparatus or at 0.2 GPa, 900°C for 1 or 20 h in a cold-seal vessel. The oxygen fugacity was buffered using Ni–NiO, and the silica activity was buffered by adding San Carlos orthopyroxene powders. Polarized Fourier transform infrared (FTIR) spectroscopy was utilized to quantify the hydroxyl distributions in the samples after the experiments. The resulting infrared spectra reproduce the features of FTIR spectra that are observed in olivine from common mantle peridotite xenoliths. The hydrogen concentration at the edges of the hydrogenated olivine crystals corresponds to concentration levels calculated from published water solubility laws. Hydrogen diffusivities were determined for the three crystallographic axes from profiles of water content as a function of position. The chemical diffusion coefficients are comparable to those previously reported for natural iron-bearing olivine. At high temperature, hydrogenation is dominated by coupled diffusion of protons and octahedrally coordinated metal vacancies where the vacancy diffusion rate limits the process. From the experimental data, we determined the following diffusion laws (diffusivity in m2 s−1, activation energies in kJ mol−1): for diffusion along [100] and [010]; for diffusion along [001]. These diffusion rates are fast enough to modify significantly water contents within olivine grains in xenoliths ascending from the mantle.  相似文献   

4.
Olivine crystals were grown in the presence of a hydrous silicate fluid during multi-anvil experiments at 8 GPa and 1,000–1,600°C. Experiments were conducted both in a simple system (FeO–MgO–SiO2–H2O) and in a more complex system containing additional elements (CaO–Na2O–Al2O3–Cr2O3–TiO2–FeO–MgO–SiO2–H2O). Silica activity was buffered by the presence of either pyroxene (high a SiO2) or ferropericlase (low a SiO2), and was buffered by the presence of Ni + NiO or Fe + FeO, or constrained by the presence of Fe2O3. Raman spectroscopy was used to identify pyroxene polymorphs in the run products. Clinoenstatite was present in the 1,000°C experiment, and enstatite in experiments at 1,400–1,520°C. The H2O content of olivine was measured using secondary ion mass spectroscopy, and infrared spectroscopy was used to investigate the nature of hydrous defects. The H2O storage capacity of olivine decreases with increasing temperature at 8 GPa. In contrast to previous experimental results at ≤2 GPa, no significant effect of varying oxygen fugacity is evident, but H2O storage capacity is enhanced under conditions of low silica activity. No significant growth of low wavenumber (<3,400 cm−1) peaks, generally associated with high at low pressure, was observed in the FTIR spectra of olivine from the high experiments. Our experiments show that previous high pressure H2O storage capacity measurements for olivine synthesized under more oxidizing conditions than the Earth’s mantle are not likely to be compromised by the of the experiments. However, the considerable effect of temperature on H2O storage capacity in olivine must be taken into account to avoid overestimation of the bulk upper mantle H2O storage capacity.  相似文献   

5.
We have explored first-principles molecular dynamics simulation data for hydrous MgSiO3 liquid (with 10 wt% water) to gain insight into its structural and dynamical behavior as a function of pressure (0–150 GPa) and temperature (2,000–6,000 K). By visualizing/analyzing a number of parameters associated with short- and mid-range orders, we have shown that the melt structure changes substantially on compression. The speciation of the water component at low pressures is dominated by the isolated structures (with over 90% hydrogen participated) consisting of hydroxyls, water molecules, O–H–O bridging and four-atom (O–H–O–H and H–O–H–O) groups, where every oxygen atom may be a part of polyhedron or free (i.e., bound to only magnesium atom). Hydroxyls favor polyhedral sites over magnesium sites whereas molecular water is almost entirely bound to magnesium sites, and also interpolyhedral bridging (Si–O–H–O–Si) dominates other types of bridging. Water content is shown to enhance and suppress, respectively, the proportions of hydroxyls and molecular water. As compression increases, these isolated structures increasingly combine with each other to form extended structures involving a total of five or more O and H atoms and also containing threefold coordination species, which together consume over 80% hydrogen at the highest compression studied. Our results show that water lowers the mean coordination numbers of different types including all cation–anion environments. The hydrous melt tends to be more tetrahedrally coordinated but with the Si–Si network being more disrupted compared to the anhydrous melt. Protons increase the content of non-bridging oxygen and decrease the contents of bridging oxygen as well as oxygen triclusters (present at pressures above 10 GPa). The calculated self-diffusion coefficients of all atomic species are enhanced in the presence of water compared to those of the anhydrous melt. This is consistent with the prediction that water depolymerizes the melt structure at all pressures. Our analysis also suggests that proton diffusion involves two processes—the transfer of H atoms (requiring the rupture and formation of O–H bonds) and the motion of hydroxyls as hydrogen carriers (requiring the rupture and formation of Si–O and/or Mg–O bonds). Both the processes are operative at low compression whereas only the first process is operative at high compression.  相似文献   

6.
Thermal behaviour and kinetics of dehydration of gypsum in air have been investigated using in situ real-time laboratory parallel-beam X-ray powder diffraction data evaluated by the Rietveld method. Thermal expansion has been analysed from 298 to 373 K. The high-temperature limits for the cell edges and for the cell volume, calculated using the Einstein equation, are 4.29 × 10−6, 4.94 × 10−5, 2.97 × 10−5, and 8.21 × 10−5. Thermal expansion of gypsum is strongly anisotropic being larger along the b axis mainly due to the weakening of hydrogen bond. Dehydration of gypsum has been investigated in isothermal conditions within the 348–403 K range with a temperature increase of 5 K. Dehydration proceeds through the CaSO4·2H2O → CaSO4·0.5H2O → γ-CaSO4 steps. Experimental data have been fitted with the Avrami equation to calculate the empirical activation energy of the process. No change in transformation mechanism has been observed within the analysed temperature range and the corresponding E a is 109(12) kJ/mol.  相似文献   

7.
Interaction of freshly precipitated silica gel with aqueous solutions was studied at laboratory batch experiments under ambient and near neutral pH-conditions. The overall process showed excellent reversibility: gel growth could be considered as an opposite process to dissolution and a linear rate law could be applied to experimental data. Depending on the used rate law form, the resulting rate constants were sensitive to errors in parameters/variables such as gel surface area, equilibrium constants, Si-fluxes, and reaction quotients. The application of an Integrated Exponential Model appeared to be the best approach for dissolution data evaluation. It yielded the rate constants k dissol ∼ (4.50 ± 0.68) × 10−12 and k growth ∼ (2.58 ± 0.39) × 10−9 mol m−2 s−1 for zero ionic strength. In contrast, a Differential Model gave best results for growth data modeling. It yielded the rate constants k dissol ∼ (1.14 ± 0.44) × 10−11 and k growth ∼ (6.08 ± 2.37) × 10−9 mol m−2 s−1 for higher ionic strength (I ∼ 0.04 to 0.11 mol L−1). The found silica gel solubility at zero ionic strength was somewhat lower than the generally accepted value. Based on the and standard Gibbs free energy of silica gel formation was calculated as and −850,318 ± 20 J mol−1, respectively. Activation energies for silica gel dissolution and growth were determined as and respectively. An universal value for growth of any silica polymorph, is not consistent with the value for silica gel growth, which questions the hypothesis about one unique activated complex controlling the silica polymorph growth.  相似文献   

8.
This study investigates the geochemical characteristics of the acid mine drainage discharged from the abandoned mine adits and tailing piles in the vicinity of the Lousal mine and evaluates the extent of pollution on water and on the stream sediments of the Corona stream. Atmospheric precipitation interacting with sulphide minerals in exposed tailings produces runoff water with pH values as low as 1.9–2.9 and high concentrations of (9,249–20,700 mg l−1), Fe (959–4,830 mg l−1) and Al (136–624 mg l−1). The acidic effluents and mixed stream water carry elevated Cu, Pb, Zn, Cd and As concentrations that exceed the water quality standards. However, the severity of contamination generally decreases 4 km downstream of the source due to mixing with fresh waters, which causes the dilution of dissolved toxic metals and neutralization of acidity. Some natural attenuation of the contaminants also occurs due to the general reduced solubility of most trace metals, which may be removed from solution, by either co-precipitation or adsorption to the iron and aluminium precipitates.  相似文献   

9.
Crystallization thermometers for zircon and rutile   总被引：93，自引：20，他引：73  
Zircon and rutile are common accessory minerals whose essential structural constituents, Zr, Ti, and Si can replace one another to a limited extent. Here we present the combined results of high pressure–temperature experiments and analyses of natural zircons and rutile crystals that reveal systematic changes with temperature in the uptake of Ti in zircon and Zr in rutile. Detailed calibrations of the temperature dependencies are presented as two geothermometers—Ti content of zircon and Zr content of rutile—that may find wide application in crustal petrology. Synthetic zircons were crystallized in the presence of rutile at 1–2 GPa and 1,025–1,450°C from both silicate melts and hydrothermal solutions, and the resulting crystals were analyzed for Ti by electron microprobe (EMP). To augment and extend the experimental results, zircons hosted by five natural rocks of well-constrained but diverse origin (0.7–3 GPa; 580–1,070°C) were analyzed for Ti, in most cases by ion microprobe (IMP). The combined experimental and natural results define a log-linear dependence of equilibrium Ti content (expressed in ppm by weight) upon reciprocal temperature:
In a strategy similar to that used for zircon, rutile crystals were grown in the presence of zircon and quartz (or hydrous silicic melt) at 1–1.4 GPa and 675–1,450°C and analyzed for Zr by EMP. The experimental results were complemented by EMP analyses of rutile grains from six natural rocks of diverse origin spanning 0.35–3 GPa and 470–1,070°C. The concentration of Zr (ppm by weight) in the synthetic and natural rutiles also varies in log-linear fashion with T −1:
The zircon and rutile calibrations are consistent with one another across both the synthetic and natural samples, and are relatively insensitive to changes in pressure, particularly in the case of Ti in zircon. Applied to natural zircons and rutiles of unknown provenance and/or growth conditions, the thermometers have the potential to return temperatures with an estimated uncertainty of ±10 ° or better in the case of zircon and ±20° or better in the case of rutile over most of the temperature range of interest (∼400–1,000°C). Estimates of relative temperature or changes in temperature (e.g., from zoning profiles in a single mineral grain) made with these thermometers are subject to analytical uncertainty only, which can be better than ±5° depending on Ti or Zr concentration (i.e., temperature), and also upon the analytical instrument (e.g., IMP or EMP) and operating conditions.  相似文献   

10.
The carbon and hydrogen isotopic composition of biogenic gas is of great importance for the study of its generation pathway and reservoiring characteristics. In this paper, the formation pathways and reservoiring characteristics of biogenic gas reservoirs in China are described in terms of the carbon and hydrogen isotopic compositions of 31 gas samples from 10 biogenic gas reservoirs. The study shows that the hydrogen isotopic compositions of these biogenic gas reservoirs can be divided into three intervals: δ>−200‰, −250‰<δ<-−200‰ and δ<−250‰. The forerunners believed that the main generation pathway of biogenic gas under the condition of continental fresh water is acetic fermentation. Our research results showed that the generation pathway of biogenic gas under the condition of marine facies is typical CO2- reduction, the biogenic gas has heavy hydrogen isotopic composition: its δ values are higher than −200‰; that the biogenic gas under the condition of continental facies also was generated by the same way, but its hydrogen isotopic composition is lighter than that of biogenetic gas generated under typical marine facies condition: −250‰<δ<−200‰, the δ values may be related to the salinity of the water medium in ancient lakes. From the relevant data of the Qaidam Basin, it can be seen that the hydrogen isotopic composition of biogenic methane has the same variation trend with increasing salinity of water medium. There are biogenic gas reservoirs formed in transitional regions under the condition of continental facies. These gas reservoirs resulted from both CO2-reduction and acetic fermentation, the formation of which may be related to the non-variant salinity of ancient water medium and the relatively high geothermal gradient, as is the case encountered in the Baoshan Basin. The biogenic gas generating in these regions has light hydrogen isotopic composition: δ<−250‰, and relatively heavy carbon isotopic composition. There is a fairly strong negative correlation between the carbon isotopic composition and the hydrogen isotopic composition. The generation mechanism and pathway of carbon, and the hydrogen isotopic composition of biogenic gas may be used to ascertain whether biogenic gas samples from the natural world are of industrial utilization value. In general, the biogenic gas formed by way of acetic fermentation is not propitious to the formation of gas reservoirs.  相似文献   

11.
We performed decompression experiments to simulate the ascent of a phenocryst-bearing rhyolitic magma in a volcanic conduit. The starting materials were bubble-free rhyolites water-saturated at 200 MPa–800°C under oxidizing conditions: they contained 6.0 wt% dissolved H2O and a dense population of hematite crystals (8.7 ± 2 × 105 mm−3). Pressure was decreased from the saturation value to a final value ranging from 99 to 20 MPa, at constant temperature (800°C); the rate of decompression was either 1,000 or 27.8 kPa/s. In all experiments, we observed a single event of heterogeneous bubble nucleation beginning at a pressure P N equal to 63 ± 3 MPa in the 1,000 kPa/s series, and to 69 ± 1 MPa in the 27.8 kPa/s series. Below P N, the degree of water supersaturation in the liquid rapidly decreased to a few 0.1 wt%, the nucleation rate dropped, and the bubble number density (BND) stabilized to a value strongly sensitive to decompression rate: 80 mm−3 at 27.8 kPa/s vs. 5,900 mm−3 at 1,000 kPa/s. This behaviour is like the behavior formerly described in the case of homogeneous bubble nucleation in the rhyolite-H2O system and in numerical simulations of vesiculation in ascending magmas. Similar degrees of water supersaturation were measured at 27.8 and 1,000 kPa/s, implying that a faster decompression rate does not result in a larger departure from equilibrium. Our experimental results imply that BNDs in acid to intermediate magmas ascending in volcanic conduits will depend on both the decompression rate and the number density of phenocrysts, especially the number density of magnetite microphenocrysts (1–100 mm−3), which is the only mineral species able to reduce significantly the degree of water supersaturation required for bubble nucleation. Very low BNDs (≈1 mm−3) are predicted in the case of effusive eruptions ( ≈ 0.1 kPa/s). High BNDs (up to 107 mm−3) and bimodal bubble size distributions are expected in the case of explosive eruptions: (1) a relatively small number density of bubbles (1–100 mm−3) will first nucleate in the lower part of the conduit ( ≈ 10 kPa/s), either at high pressure on magnetite or at lower pressure on quartz and feldspar (or by homogeneous nucleation in the liquid) and (2) then, extreme decompression rates near the fragmentation level ( ≈ 103 kPa/s) will trigger a major nucleation event leading to the multitude of small bubbles, typically a few micrometers to a few tens of micrometers in diameter, which characterizes most silicic pumices.  相似文献   

12.
Interdiffusion of Fe and Mg in (Mg,Fe)O has been investigated experimentally under hydrous conditions. Single crystals of MgO in contact with (Mg0.73Fe0.27)O were annealed hydrothermally at 300 MPa between 1,000 and 1,250°C and using a Ni–NiO buffer. After electron microprobe analyses, the dependence of the interdiffusivity on Fe concentration was determined using a Boltzmann–Matano analysis. For a water fugacity of ∼300 MPa, the Fe–Mg interdiffusion coefficient in Fe x Mg1−x O with 0.01 ≤ x ≤ 0.25 can be described by with and C = −80 ± 10 kJ mol−1. For x = 0.1 and at 1,000°C, Fe–Mg interdiffusion is a factor of ∼4 faster under hydrous than under anhydrous conditions. This enhanced rate of interdiffusion is attributed to an increased concentration of metal vacancies resulting from the incorporation of hydrogen. Such water-induced enhancement of kinetics may have important implications for the rheological properties of the lower mantle.
Sylvie DemouchyEmail:
  相似文献   

13.
The density ρ of Caspian Sea waters was measured as a function of temperature (273.15–343.15) K at conductivity salinities of 7.8 and 11.3 using the Anton-Paar Densitometer. Measurements were also made on one of the samples (S = 11.38) diluted with water as a function of temperature (T = 273.15–338.15 K) and salinity (2.5–11.3). These latter results have been used to develop an equation of state for the Caspian Sea (σ = ±0.007 kg m−3)
where ρ0 is the density of water and the parameters A, B and C are given by
Measurements of the density of artificial Caspian Sea water at 298.15 K agree to ± 0.012 kg m−3 with the real samples. These results indicate that the composition of Caspian Sea waters must be close to earlier measurements of the major components. Model calculations based on this composition yield densities that agree with the measured values to ± 0.012 kg m−3. The new density measurements are higher than earlier measurements. This may be related to a higher concentration of dissolved organic carbon found in the present samples (500 μM) which is much higher than the values in ocean waters (~65 μM).  相似文献   

14.
We present the results of a series of density experiments in the system O–S–Fe–Ni–Cu. These experiments were designed to extend our understanding of the physical properties of sulfide liquids, and to extend one-bar thermochemical models for sulfide liquids to apply to low to moderate pressures. Density measurements indicate both positive and negative deviations from linear mixing of partial molar volumes across this five-dimensional composition space. In terms of the homogeneous speciation model of Kress (in Contrib Mineral Petrol 154:191–204, 2007), the best fit to experimental data can be achieved by starting with a model where the volume of formation reaction for associated species initially is set to zero. Further refinement of this first-order fit yields a volume mixing model which reproduces experimental data to within nearly the estimated experimental uncertainty. Experimental ultrasonic and X-ray absorption data from the literature, along with the bulk modulus–volume relation of Anderson and Nafe (J Geophys Res 16:3951–3963, 1965), allow the estimation of the pressure dependence of partial molar volumes for sulfide liquid species. The resulting combined thermochemical model should be valid to about 2,000 K and 3 GPa. Application of this thermochemical model in a simple adiabatic magma ascent scenario confirms earlier work suggesting that the pressure dependence of sulfur solubility in sulfide-saturated magma will decrease with increasing pressure along geologically reasonable paths in P–T–– space.  相似文献   

15.
High-pressure synchrotron infrared (IR) absorption spectra were collected between 650 and 4,000 cm−1 at ambient temperature for hydrous Mg-ringwoodite (γ-Mg2SiO4) up to 30 GPa. The main feature in the OH− stretching region is an extremely broad band centred at 3,150 cm−1. The hydrogen bond is strong for most protons and the most probable site for protonation is the tetrahedral edge. With increasing pressure, this band shifts downward while decreasing its integrated intensity until disappearance at a pressure of 25 GPa. Only one band at 2,450 cm−1 and an absorption plateau persist with a maximum wavenumber of 3,800 cm−1. This behaviour is reversible upon pressure release. We interpret this as a second-order phase transition occurring in hydrated Mg-ringwoodite at high pressure (beyond ∼ 25 GPa). This result is compatible with the observation by Kleppe et al. (Phys Chem Miner 29:473–476, 2002a) who suggested the presence of Si–O–Si linkages and/or partial increase in the coordination of Si. Beyond the phase transition, the protons are delocalized and their environment on the ringwoodite structure is probably quite different from that at low pressure. Data obtained in situ at high pressures and temperatures are needed to better understand the effect of protonation on the structure and to better constrain this phase transition.  相似文献   

16.
We determined experimentally the Nernst distribution coefficient between orthopyroxene and anhydrous silicate melt for trace elements i in the system Na2O–CaO–MgO–Al2O3–SiO2 (NCMAS) along the dry model lherzolite solidus from 1.1 GPa/1,230°C up to 3.2 GPa/1,535°C in a piston cylinder apparatus. Major and trace element composition of melt and orthopyroxene were determined with a combination of electron microprobe and ion probe analyses. We provide partitioning data for trace elements Li, Be, B, K, Sc, Ti, V, Cr, Co, Ni, Rb, Sr, Y, Zr, Nb, Cs, Ba, La, Ce, Sm, Nd, Yb, Lu, Hf, Ta, Pb, U, and Th. The melts were chosen to be boninitic at 1.1 and 2.0 GPa, picritic at 2.3 GPa and komatiitic at 2.7 and 3.2 GPa. Orthopyroxene is Tschermakitic with 8 mol% Mg-Tschermaks MgAl[AlSiO6] at 1.1 GPa while at higher pressure it has 18–20 mol%. The rare earth elements show a continuous, significant increase in compatibility with decreasing ionic radius from D Laopx−melt ∼ 0.0008 to D Luopx−melt ∼ 0.15. For the high-field-strength elements compatibility increases from D Thopx−melt ∼ 0.001 through D Nbopx−melt ∼ 0.0015, D Uopx−melt ∼ 0.002, D Taopx−melt ∼ 0.005, D Zropx−melt ∼ 0.02 and D Hfopx−melt ∼ 0.04 to D Tiopx−melt ∼ 0.14. From mathematical and graphical fits we determined best-fit values for D 0M1, D 0M2, r 0M1, r 0M2, E 0M1, and E 0M2 for the two different M sites in orthopyroxene according to the lattice strain model and calculated the intracrystalline distribution between M1 and M2. Our data indicate extreme intracrystalline fractionation for most elements in orthopyroxene; for the divalent cations D i M2−M1 varies by three orders of magnitude between D CoM2−M1 = 0.00098–0.00919 and D BaM2−M1 = 2.3–28. Trivalent cations Al and Cr almost exclusively substitute on M1 while the other trivalent cations substitute on M2; D LaM2−M1 reaches extreme values between 6.5 × 107 and 1.4 × 1016. Tetravalent cations Ti, Hf, and Zr almost exclusively substitute on M1 while U and Th exclusively substitute on M2. Our new comprehensive data set can be used for polybaric-polythermal melting models along the Earth’s mantle solidus. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.  相似文献   

17.
Summary The Karimnagar granulite terrain is an integral part of the Eastern Dharwar Craton (EDC). It has received much interest because of the only reported granulite facies rocks in the EDC. These granulites contain quartz-free sapphirine-spinel-bearing granulites, kornerupine – bearing granulites, mafic granulites, orthopyroxene-cordierite gneisses, charnockites, amphibolites, dolerite dykes, granite gneisses, quartzites and banded magnetite quartzite. The orthopyroxene-cordierite gneisses occur as enclaves within granite-gneiss in association with banded magnetite quartzites, charnockites and amphibolites. The observed reaction textures, spectacular as they are, have an extraordinary information content within a tiny domain. Coronas, symplectites and resorption textures are of particular interest as they reflect discontinuous or continuous reactions under changing physical conditions. The main mineral assemblages encountered in these gneisses are orthopyroxene – cordierite – biotite – plagioclase – perthite – quartz and garnet – orthopyroxene – cordierite – biotite – quartz – plagioclase – perthite ± sillimanite. Multiphase reaction textures in conjunction with mineral chemical data in the KFMASH system indicate the following reactions: Based on chemographic relationships and petrogenetic grids in the K2O–FeO–MgO–Al2O3–SiO2–H2O (KFMASH) system, a sequence of prograde (early stage), isothermal decompression (middle stage) and retrograde (late stage) reactions (‘back reactions’ and hydration reactions) are inferred. Relatively lower P–T estimates (0.35 GPa/550–750 °C) obtained from the different geothermobarometers are attributed to late Fe–Mg re-equilibration during cooling. Therefore, the convergence method has been applied to retrieve simultaneously the P–T conditions of the thermal peak of metamorphism. The near thermal peak condition of metamorphism estimated by the convergence method are 850 °C/0.62 GPa. The P–T estimates define a retrograde trajectory with substantial decompression.  相似文献   

18.
The impact of land-use change on the quality of groundwater in the Xiaotjiang watershed, China was assessed for the period 1982–2004. Groundwater samples were collected from 30 monitoring points across the watershed, and were representative of the various changes, determined by remote sensing and geographical information systems. The results indicate that 610 km2 (60% of the total watershed area) were subject to land-use change during the period. The most important changes were the conversion of 135 km2 of forested land to cultivated land, and 211 km2 of unused land to cultivated land. The main impact was ascribed to diffuse pollution from fertilizers applied to newly cultivated land, and from building development. Overall the groundwater pH value was significantly increased, as were the concentrations of ions , , , , and Cl− in groundwater whilst the concentrations of Ca2+ and declined. More precisely, in the regions where forested land and unused land were converted into cultivated land, the pH value and the concentrations of Mg2+, , , , , Cl− increased whilst the concentrations of Ca2+ and declined. However in the region where cultivated land was converted into construction land, the pH value and the concentrations of Ca2+, Mg2+, , , , , , Cl− increased.
Résumé  L’impact des changements de l’utilisation du territoire sur la qualité de l’eau souterraine dans le bassin versant de Xiaojiang, en Chine, a été évalué de 1982 à 2004. Des échantillons d’eau souterraine ont été récoltés à partir de 30 points d’observation éparpillés sur le bassin, représentant les divers changements déterminés par télédétection et système d’information géographique. Les résultats indiquent que 610 km2 (soit 60% de la surface du bassin) ont été sujets à des modifications de l’utilisation du territoire sur cette période. Les changements les plus importants furent la conversion de 135 km2 de forêt et 211 km2 de terres inutilisées en terres cultivées. Le principal impact est attribué à la pollution diffuse des engrais utilisés en agriculture et pour les batiments. De manière générale le pH de l’eau souterraine a augmenté significativement, ainsi que les concentrations des ions , , , , et Cl−, tandis que les concentration en Ca2+ et ont diminué. Plus précisément dans les régions transformées en terres cultivées, la valeur du pH et les concentrations en Mg2+, , , , , Cl− ont augmenté tandis que les concentrations en Ca2+ et ont diminué. Toutefois dans les régions cultivées converties en zones de construction, le pH et les concentrations en Ca2+, Mg2+, , , , , , Cl− ont augmenté.
Resumen  El impacto del cambio en uso de la tierra en la calidad del agua en la cuenca Xiaojiang, China fue evaluado para el periodo 1982–2004. Muestras de agua subterránea fueron tomadas de 30 puntos de monitoreo a través de la cuenca, y fueron representativas de los múltiples cambios, determinados por sensores remotos y sistemas de información geográfica. Los resultados indican que 610 km2 (60% del área total de la cuenca) estaban sujetos a cambios de uso de la tierra durante el periodo estudiado. Los cambios más importantes fueron la conversión de 135 km2 de bosques a tierra cultivada, y 211 km2 de tierra sin uso (ociosa) a tierra cultivada. El impacto principal fue causado por contaminación difusa de fertilizantes aplicados a la tierra recientemente cultivada, y a desarrollo de construcciones. En general el pH en agua subterránea creció significantemente, al igual que las concentraciones de los iones , , , , y Cl− en agua subterránea mientras que las concentraciones de Ca2+ y decrecieron. Mas precisamente, en las regiones donde bosque y tierra ociosa fueron convertidas en tierra cultivada, el valor de pH y las concentraciones de Mg2+, , , , , Cl− crecieron mientras las concentraciones de Ca2+ y decrecieron. Sin embargo en la región donde tierra cultivada fue convertida en construcciones, el valor de pH y las concentraciones de Ca2+, Mg2+, , , , , , Cl− crecieron.
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19.
The dynamics of the hydrogen atoms in the highly ordered kaolinite was studied by vibrational spectroscopy based on inelastic neutron scattering method with the focus on the spectral region of 100–1,250 cm−1. The experimental spectrum was interpreted by means of the solid state density functional theory calculations covering both normal mode analysis and molecular dynamics going beyond the harmonic approximation. The Al–O–H bending modes were found to be spread over the large interval of 100–1,100 cm−1, with the dominant contributions located between 800 and 1,100 cm-1. The shapes of the individual hydrogen spectra depend on the strengths of the individual interlayer O–H···O hydrogen bonds involving the inner surface hydroxyl groups. The modes assigned to the in-plane movements of the respective hydrogen atoms are well-defined and always appear on the top of the intervals of energy transfer. In contrast, the modes generated by the out-of-plane movements are spread over large intervals of energies spanning down to the region of external (lattice) modes.  相似文献   

20.
Pressure–Temperature- conditions and fluid compositions estimated for mineral parageneses from inclusions in diamonds, diamond-bearing and diamond-free xenoliths using a garnet–clinopyroxene–silica oxygen barometer data indicate that the upper mantle is zoned, with a relatively oxidized lithosphere and a reduced asthenosphere. Calculations in the C–O–H system indicate that eclogite inclusions within diamonds and xenoliths have formed mainly in equilibrium with water-rich fluids.  相似文献   

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