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1.
Thermophysical properties of the various polymorphs (i.e. α-, β- and γ) of Mg2SiO4 were computed with the CRYSTAL06 code within the framework of CO-LCAO-GTF approach by using the hybrid B3LYP density functional method. Potential wells were calculated through a symmetry preserving, variable cell-shape structure relaxation procedure. Vibrational frequencies were computed at the long-wavelength limit corresponding to the center of the Brillouin zone (k → 0). Thermodynamic properties were estimated through a semiclassical approach that combines B3LYP vibrational frequencies for optic modes and the Kieffer’s model for the dispersion relation of acoustic modes. All computed values except volume (i.e. electronic energy, zero point energy, optical vibrational modes, thermal corrections to internal energy, standard state enthalpy and Gibbs free energy of reaction, bulk modulus and its P and T derivatives, entropy, C V, C P) are consistent with available experimental data and/or reasonable estimates. Volumes are slightly overestimated relative to those determined directly by X-ray diffraction. A set of optimized volumetric properties that are consistent with the other semiclassical properties of the phases α, β and γ have been derived by optimization procedure such that the calculated boundaries for the α/β and β/γ equilibria have the best overall agreement with the experimental data for these transitions. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.
G. OttonelloEmail:
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2.
The solubility of gold was measured in dry NaCl salt melt at 860°С in closed systems with SiO2 (silica glass). The reactions do not occur in a closed system without oxidizer. Reaction of SiO2 with salt in the presence of an oxidizer (KClO4) results in the formation of water-soluble sodium silicates (a mixture of meta-, ortho-, and pyrosilicates). Gold mobilization by a salt melt is limited by the diffusion of Na in SiO2. In a closed system with the addition of a strong oxidizer (dry KClO4 salt), the solubility of gold increase with increasing amount of KClO4 and the saturation level is estimated to be ~3 wt % Au. For ampoule configurations used in our experiments, 5.5 g of gold dissolved per 1 g of KClO4. Only cheap, non-toxic reagents were used in our model experiments on gold dissolution in a salt melt, which did not require elevated pressures. The solubility of 30 g Au per 1 kg NaCl will eliminate geochemical problems associated with the compact leaching of gold ores using cyanide.  相似文献   

3.
δ13C and δ15N values of two generalists primary consumers, a strict deposit-feeder polychaete (Arenicola marina), and a strict suspension-feeder bivalve (Crassostrea gigas), were investigated to typify the trophic functioning of two contrasted marine coastal ecosystems (eutrophic and mesotrophic, east and west Cotentin peninsula, respectively, English Channel, Normandy, France). On average, δ13C and δ15N values of lugworms mirrored those of sediment organic matter (SOM), whereas δ13C and δ15N of oysters mirrored those of suspended particulate organic matter (SPOM). δ13C values of the two species displayed significant differences on the west coast (mesotrophic) contrary to the east coast (eutrophic; significant interactions). δ15N values differed only between sites and not between species. Diet of A. marina relied exclusively on microphytobenthos (MPB) and detritus of macroalgae (ULV) on the mesotrophic coast, whereas diet of C. gigas relied mainly on SPOM. Conversely, on the eutrophic ecosystem (the east coast), both species displayed the same diet, which was a mixture of pelagic sources (SPOM), benthic sources (MPB and ULV) and to a lesser extent riverine particulate organic matter (rPOM). These results were explained by the intensity of benthic vs. pelagic couplings (i.e. benthic-pelagic and pelagic-benthic) which differed in the two ecosystems. Low trophic coupling occurred on the mesotrophic (west) coast, whereas benthic-pelagic (SOM resuspension) and pelagic-benthic (settling of SPOM such as phytoplankton blooms) couplings were typified on the eutrophic (east) coast. This higher particulate organic matter (POM) pelagic-benthic coupling on the east coast was probably enhanced by nutrient enrichment caused by eutrophication. Comparison of δ13C ratios of both the strict deposit-feeder (e.g. A. marina) and the strict suspension-feeder (e.g. C. gigas) was then proposed as a bio-indicator of the trophic status and of POM benthic vs. pelagic couplings of soft-bottom coastal ecosystems.  相似文献   

4.
Kopaida plain is a cultivated region of Eastern Greece, with specific characteristic related with the paleogeographic evolution and the changes in land use. The present article examines the contamination that derives from nitrates, in terms of contaminant levels, definition of sources and spatial distribution of contaminant plume. For this purpose, 50 water samples were collected from the karstic aquifer and analyzed for 15 parameters including major ions, trace elements, physicochemical parameters, and stable isotopes. The assessment of the above parameter values along with the notes derived by the statistical process revealed the existence of nitrate contamination which has been spatial defined with the aid of spatial interpolation techniques. The correlation of NO3 − concentrations with the stable isotope values, defined the infiltration conditions and showed contaminant transport. Nitrate values revealed the potential environmental threat for local people, as 10% of the samples exceeded the parametric value of 50 ppm and 54% of them are above 25 ppm, indicating no optimal quality conditions. The origin of nitrate contamination seems to derive exclusively from the application of N-fertilizers, since the rest of potential sources were not verified by analytical data and field works.  相似文献   

5.
This paper reports the presence of a metastable mixture of Fe(II), O2, superoxide and hydrogen peroxide in sediment pore water in organic carbon-rich sediments in Spartina alterniflora-dominated salt marsh systems. Field measurements at two different estuarine sites in South Carolina (one heavily urbanized and a protected research reserve) showed a broad region of reactive oxygen species (ROS) production more than 15 cm below the sediment surface within and immediately adjacent to the rhizospheres of S. alterniflora. Dissolved Fe(II) was positively correlated with hydrogen peroxide indicating a possible abiotic pathway to ROS production (r 2 = 0.94). The null hypothesis was tested that Fe(II) inventories were maintained by protective ligands and thus unreactive with respect to O2 consumption and ROS production. The addition of an Fe-binding ligand, DTPA, resulted in rapid decline of ROS in pore water, indicating that Fe(II) was labile. The half-life of superoxide under the measured solution conditions was calculated and found to be less than a second. The combination of high lability and persistent ROS was interpreted to indicate a high rate of Fe(II) and O2 supply to the pore water. The 224Ra/228Th disequilibrium was measured to determine the potential for advective mass transfer of dissolved oxygen via pore water exchange. The estimated pore water exchange of 54 L m?2 day?1 was significant but could not support the measured production of ROS alone, the direct exchange of O2 from the S. alterniflora root system may have contributed significantly to ROS production in the sediments.  相似文献   

6.
From excavation at FLK North levels 1–2 in 1960–1962, Mary Leakey reported approximately 1200 Oldowan artifacts and 3300 large mammal fossils as a hominin “living floor”. Preliminary taphonomic analysis by Bunn seemed supportive, based on the presence of some cut-marked bones, the concentration of several dozen bovid individuals, and the relative abundance of limbs and mandibles over other axial elements. Recent taphonomic analysis of Leakey's entire fossil assemblage by Domínguez-Rodrigo and Barba, however, documents a minor hominin role at the site, contrasted to the dominant role of carnivores. Felids brought prey animals; hyenas scavenged from abandoned felid meals. At different times, hominins butchered several bovids and discarded artifacts at this dynamic location. Since 2006, renewed excavations at FLK North and other sites by the Olduvai Paleoanthropology and Paleoecology Project (TOPPP) have expanded artifact and fossil samples and implemented new analytical approaches to clarify taphonomic histories of the Olduvai paleolandscape. At FLK North, > 1000 new large mammal fossils from levels 1 to 2 show minimal butchery evidence amid abundant evidence of carnivore gnawing/fracture, rodent gnawing, and sediment abrasion. To help guide future excavation and analyses, we have developed several alternative working hypotheses of site formation.  相似文献   

7.
For the first time 18O and 13C values from carbonates and D values of individual n-alkanes were used to reconstruct palaeohydrological conditions in a lagoon at the southern margin of the Central European Zechstein Basin (CEZB). A 12-m core covering the complete Ca2 interval and adjacent anhydrites (A1 and A2) was analyzed for 18O and 13C values of dolomitized carbonates and D values of individual n-alkanes. 18Ocarb values (+2 to +5 vs. VPDB) were strongly influenced by evaporation and temporal freshwater input into the lagoon. The 13Ccarb values (–1 to +4 vs. VPDB) were controlled mainly by changes in primary production. Both isotopic ratios show an inverse relationship throughout most of the core, contradicting diagenetic alteration, since 13Ccarb values are not altered significantly during dolomitization. Assuming a temperature range of 35–40 °C in the lagoon, 18Ocarb values of +2.5 to +8 (vs. VSMOW) for the lagoonal water can be reconstructed. The lagoon may have desiccated twice during the Ca2 interval, as indicated by very high 18Ocarb and low 13Ccarb values, coinciding with increasing amount of anhydrite in the analyzed sample. These events seem to reflect not just local but a regional intra-Ca2 cyclicity. Measured D values of the short-chain n-alkanes, namely n-C16 and n-C18 which are widely used as indicators for photosynthetic bacterial and algal input, reflect the isotopic composition of the lagoonal water. Assuming constant fractionation during incorporation of hydrogen into lipids of –160, an average D value of +70 (vs. VSMOW) can be reconstructed for the lagoonal water, accounting for very arid conditions. The long-chain n-alkanes n-C27, n-C28, n-C29 and n-C30, thought to be derived from the leaf waxes of terrestrial higher plants, were shown to be depleted in D relative to the short-chain alkanes, therefore indicating a different hydrogen source. Terrestrial plants in arid areas mainly use water supplied by precipitation. By using a smaller fractionation of –120 due to evaporation processes in the leaves, reconstructed values vary between –74 and –9 (vs. VSMOW). These values are not indicating extremely arid conditions, implying that the long-chain n-alkanes were transported trough wind and/or rivers into the lagoon at the Zechstein Sea coast. Dwater values, reconstructed using the n-C16 alkane and 18O water values, independently reconstructed on the same sample using the temperature dependant fractionation for dolomites are good agreement and suggest high amounts of evaporation affecting the coastal lagoon. Altogether, our results indicate that hydrogen isotopic ratios of n-alkanes give information on their origin and are a useful proxy for palaeoclimatic reconstruction.  相似文献   

8.
《Applied Geochemistry》2002,17(3):129-162
Biomass combustion is an important primary source of particles with adsorbed biomarker compounds in the global atmosphere. The introduction of natural product organic compounds into smoke occurs primarily by direct volatilization/steam stripping and by thermal alteration based on combustion temperature. Although the molecular compositions of organic matter in smoke particles are highly variable, the molecular tracers are generally still source specific. Dehydroabietic acid is typically the major tracer for conifer smoke in the atmosphere. Degradation products from biopolymers (e.g. levoglucosan from cellulose, methoxyphenols from lignin) are also excellent tracers. Additional markers of thermally-altered and directly-emitted natural products in smoke have been defined which aids the assessment of the organic matter types and input from biomass combustion to aerosols. The precursor to product approach of compound characterization by organic geochemistry has also been applied successfully to provide source specific tracers for studying the chemistry and dispersion of ambient aerosols and the intermingling of natural with anthropogenic emissions and with smoke plumes. A brief review of the organic matter composition in aerosols derived from the major sources is also given, with emphasis on the detection of biomass burning components. These major sources are the natural background from biogenic detritus (e.g. plant wax, microbes, etc.) and anthropogenic particle emissions (e.g. oils, soot, synthetics, compounds, etc.). The emissions of organic constituents in coal smoke particulate matter are also reviewed and depend on combustion temperature, ventilation, burn time, and coal rank (geologic maturity). The components of peat and brown coal and to a lesser degree semi-bituminous coal consist mainly of hydrocarbons, biomarkers, and aromatic components, quite similar to burning of contemporary biomass. Dispersion from the source and long range transport of smoke particulate matter with the associated organic compounds is also discussed.  相似文献   

9.
We have experimentally investigated the kinetics of melting of an aplitic leucogranite (quartz+sodic plagioclase of ≈Ab90+K-feldspar+traces of biotite) at 690, 740, and 800°C, all at 200 MPa H2O. Leucogranite cylinders, 3.5 mm in diameter and 7 mm in length, were run in the presence of excess H2O using cold-seal pressure vessels for 11–2,925 h. At 690 and 740°C and any experimental time, and 800°C and short run times, silicate glass (melt at run conditions) occurs as interconnected films along most of the mineral boundaries and in fractures, with the predominant volume occurring along quartz/feldspars boundaries and quartz/plagioclase/K-feldspar triple junctions. Glass film thickness is roughly constant throughout a given experimental charge and increases with experimental temperature and run duration. The results indicate that H2O-saturated partial melting of a quartzo-feldspathic protolith will produce an interconnected melt phase even at very low degrees (<5 vol%) of partial melting. Crystal grain boundaries are therefore completely occluded with melt films even at the lowest degrees of partial melting, resulting in a change in the mechanism of mass transport through the rock from advection of aqueous vapor to diffusion through silicate melt. At 690 and 740°C the compositions of glasses are homogeneous and (at both temperatures) close to, but not on, the H2O-saturated 200 MPa haplogranite eutectic; glass compositions do not change with run duration. At 800°C glasses are heterogeneous and plot away from the minimum, although their molar ratios ASI (=mol Al2O3/CaO+Na2O+K2O) and Al/Na are constant throughout the entire charge at any experimental time. Glass compositions within individual 800°C experiments form linear trends in (wt%) normative quartz–albite–orthoclase space. The linear trends are oriented perpendicular to the 200 MPa H2O haplogranite cotectic line, reflecting nearly constant albite/orthoclase ratio versus variable quartz/feldspar ratio, and have endpoints between the 800°C isotherms on the quartz and feldspar liquidus surfaces. With increasing experimental duration the trends migrate from the potassic side of the minimum toward the bulk rock composition located on the sodic side, due to more rapid (and complete) dissolution of K-feldspar relative to plagioclase. The results indicate that partial melting at or slightly above the solidus (690–740°C) is interface reaction-controlled, and produces disequilibrium melts of near-minimum composition that persist metastably for up to at least 3 months. Relict feldspars show no change in composition or texture, and equilibration between melt and feldspars might take from a few to tens of millions of years. Partial melting at temperatures well above the solidus (800°C) produces heterogeneous, disequilibrium liquids whose compositions are determined by the diffusive transport properties of the melt and local equilibrium with neighboring mineral phases. Feldspars recrystallize and change composition rapidly. Partial melting and equilibration between liquids and feldspars might take from a few to tens of years (H2O-saturated conditions) at these temperatures well above the solidus.  相似文献   

10.
The space group and hydrogen positions of -(Al0.84Mg0.07Si0.09)OOH are investigated using a single crystal synthesized using a multi-anvil apparatus under conditions of 1000 °C and 21 GPa. The space group determined by single-crystal X-ray diffraction is to Pnn2, with unit-cell parameters of a=4.6975(8) Å, b= 4.2060(6) Å, c=2.8327(4) Å, and V=55.97(1) Å3. Partial occupancy of the Al site by Mg and Si suggests the possibility of a limited solid solution between -AlOOH, stishovite, and a hypothetical CaCl2-type Mg(OH)2 that is 16% denser than brucite. Difference-Fourier maps reveal two small but significant Fourier peaks attributable to hydrogen atoms. Atomic distances and angles around the first peak indicate a hydrogen bond with O···O distances of 2.511 Å, while those around the second peak are suggestive of a bifurcated hydrogen bond with O···O distances of 2.743 and 2.743 Å.  相似文献   

11.
The high-pressure behaviour and the P-induced structural evolution of a synthetic zeolite Rb7NaGa8Si12O40·3H2O (with edingtonite-type structure) were investigated both by in situ synchrotron powder diffraction (with a diamond anvil cell and the methanol:ethanol:water = 16:3:1 mixture as pressure-transmitting fluid) up to 3.27 GPa and by ab initio first-principles computational modelling. No evidence of phase transition or penetration of P-fluid molecules was observed within the P-range investigated. The isothermal equation of state was determined; V 0 and K T0 refined with a second-order Birch–Murnaghan equation of state are V 0 = 1311.3(2) Å3 and K T0 = 29.8(7) GPa. The main deformation mechanism (at the atomic scale) in response to the applied pressure is represented by the cooperative rotation of the secondary building units (SBU) about their chain axis (i.e. [001]). The direct consequence of SBU anti-rotation on the zeolitic channels parallel to [001] is the increase in pore ellipticity with pressure, in response to the extension of the major axis and to the contraction of the minor axis of the elliptical channel parallel to [001]. The effect of the applied pressure on the bonding configuration of the extra-framework content is only secondary. A comparison between the P-induced main deformation mechanisms observed in Rb7NaGa8Si12O40·3H2O and those previously found in natural fibrous zeolites is made.  相似文献   

12.
Spectral monitoring of the yellow hypergiant ρ Cas with the by 6-m telescope of the Special Astrophysical Observatory with a spectral resolution of R ≥ 60 000 has led to the detection of new features in the kinematic state of its extended atmosphere following the ejection of matter in 2013. Significant changes in the profile of the Hα line were detected: the line had a doubled core for the first time in a 2014 spectrum, an inverse P Cygni profile on February 13, 2017, and the profile was again doubled on August 6, 2017 and September 5, 2017, but was strongly shifted toward longer wavelengths, indicating a rapid infall of matter. Splitting of the profiles of strong, low-excitation absorption lines into three components was first detected in 2017. There is no correlation between the evolution of the profiles of Hα and the splitted absorption lines. Pulsation-like variability with an amplitude of about 10 km/s is characteristic only of symmetric weak and moderate-intensity absorption lines. Shell emission lines of iron-group elements can be identified in the long-wavelength part of a spectrum obtained in 2013, whose intensity decreased until they completely disappeared in 2017. In the absence of emission in the cores of the H and K lines of Ca II, emission lines of shell metals are visible in the wings of these lines.  相似文献   

13.
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14.
The volcano–clastic sequence of Trompia Valley, which caps the Tre Valli Bresciane Variscan basement (TVB), comprises the Dosso dei Galli Conglomerate (DGC), the oldest deposit containing up to metre-sized metamorphic pebbles. This Lower Permian formation of the Trompia Basin was fed by the erosion products of the Variscan chain. We used microstructural and mineral chemical data on metamorphic pebbles of the DGC to infer a quantitative tectono-thermal evolution of the eroded pre-Permian basement and to compare them with those of TVB and the surrounding Southalpine basement units (tectono-metamorphic units = TMUs). Metapelitic and metaintrusive pebbles record a polyphase metamorphism with two metamorphic re-equilibrations: the first under epidote amphibolite facies (M1, ) and the second under greenschist facies (M2) conditions. Rock types and metamorphic data largely match those of TVB basement unit. The structural and metamorphic records in the pebbles are pre-Permian, and the conglomerate matrix is non-metamorphic. The DGC deposition age (283 ± 1–280.5 ± 2 Ma) constrains the minimal exhumation age of its basement source. The lack of staurolite bearing assemblages in metamorphic pebbles suggests that the DGC basement source was already exhumed to shallow structural levels (greenschist facies conditions) before the thermal equilibration consequent upon continental crust thickening induced by the Variscan collision.  相似文献   

15.
The Mustafakemalpa?a Fault (MF), located among Manyas, Ulubat and Orhaneli faults, is a right lateral strike-slip and 47 km in length. The MF begins with a pressure ridge at the west and exhibits complex jog terminations at east ends in restraining left stepovers. The western section of the fault bounds Miocene and Quaternary units and continues towards ?lyasç?lar. The central segment of the fault, starts with approximately 750-m leftward stepover, exhibits a sinusoidal geometry between Kapakl?oluk and Kabulbaba. In this section, MF traverses mountainous terrain and cuts Ophiolite, Jurassic limestones and Miocene detritals, forming dextral faulting features and gaining reverse component. The eastern section exhibits left stepping en-echelon pattern and consists 2.5-km offset on the Orhaneli River. In this study, palaeoseismological findings related to the Holocene activity and active tectonic properties of the MF are presented. The trenches exposed mismatched stratigraphy, demonstrating evidence of events across the fault. We identified three events (before BC 2190, later AD 1425 and 1850) that have occurred during the past 4000 years. We suggest a long non-characteristic recurrence interval and ~0.7 mm/y slip-rate for MF, based on trench data and offset of the Late Pliocene drainage of Orhaneli River.  相似文献   

16.
Climbing dune‐scale cross‐statification is described from Late Ordovician paraglacial successions of the Murzuq Basin (SW Libya). This depositional facies is comprised of medium‐grained to coarse‐grained sandstones that typically involve 0·3 to 1 m high, 3 to 5 m in wavelength, asymmetrical laminations. Most often stoss‐depositional structures have been generated, with preservation of the topographies of formative bedforms. Climbing‐dune cross‐stratification related to the migration of lower‐flow regime dune trains is thus identified. Related architecture and facies sequences are described from two case studies: (i) erosion‐based sandstone sheets; and (ii) a deeply incised channel. The former characterized the distal outwash plain and the fluvial/subaqueous transition of related deltaic wedges, while the latter formed in an ice‐proximal segment of the outwash plain. In erosion‐based sand sheets, climbing‐dune cross‐stratification results from unconfined mouth‐bar deposition related to expanding, sediment‐laden flows entering a water body. Within incised channels, climbing‐dune cross‐stratification formed over eddy‐related side bars reflecting deposition under recirculating flow conditions generated at channel bends. Associated facies sequences record glacier outburst floods that occurred during early stages of deglaciation and were temporally and spatially linked with subglacial drainage events involving tunnel valleys. The primary control on the formation of climbing‐dune cross‐stratification is a combination between high‐magnitude flows and sediment supply limitations, which lead to the generation of sediment‐charged stream flows characterized by a significant, relatively coarse‐grained, sand‐sized suspension‐load concentration, with a virtual absence of very coarse to gravelly bedload. The high rate of coarse‐grained sand fallout in sediment‐laden flows following flow expansion throughout mouth bars or in eddy‐related side bars resulted in high rates of transfer of sands from suspension to the bed, net deposition on bedform stoss‐sides and generation of widespread climbing‐dune cross‐stratification. The later structure has no equivalent in the glacial record, either in the ancient or in the Quaternary literature, but analogues are recognized in some flood‐dominated depositional systems of foreland basins.  相似文献   

17.
This paper explores the relationship between interdisciplinary studies and research and researchers’ positionalities, both within and beyond geography. The profound degree to which researchers’ assumptions, expectations and attitudes (which in turn are affected by their personal backgrounds, training, location, etc.) influences the very notion of interdisciplinarity, and what it involves and consists of, is often neither noted nor appreciated. This paper will illustrate, particularly through personal examples, how positionality is part of the circuit of knowledge production, informing academic research, employment and publishing to no small extent. The boundaries of interdisciplinary research are shown to be under constant negotiation, still far from mutual understanding or consensus, a fact which explains the often uneasy identification and negotiation of oneself as an interdisciplinary scholar. The paper concludes by making recommendations at individual and institutional level on how to overcome some of the constraints imposed by researchers’ positionalities to the promotion of interdisciplinary research.  相似文献   

18.
This petrophysical model represents a very slow metamorphism, with its characteristically “pre-granitic” stages and facies, the kind that develops in deep geosynclinal downwarps and deep platformal syneclises, but not in intermontane downwarps or aulacogens. The rate of the subsidence, as in the model, indicates 6 to 7 km thicknesses of the 100°C metamorphic zones and much greater depths for the high-temperature metamorphism and actual smelting of the sediments, under certain conditions. — V .P Sokoloff.  相似文献   

19.
High-pressure single-crystal X-ray diffraction measurements of lattice parameters of the compound Li2VOSiO4, which crystallises with a natisite-type structure, has been carried out to a pressure of 8.54(5) GPa at room temperature. Unit-cell volume data were fitted with a second-order Birch-Murnaghan EoS (BM-EoS), simultaneously refining V 0 and K 0 using the data weighted by the uncertainties in V. The bulk modulus is K 0 = 99(1) GPa, with K′ fixed to 4. Refinements of third order equations-of-state yielded values of K′ that did not differ significantly from 4. The compressibility of the unit-cell is strongly anisotropic with the c axis (K 0(c) = 49.7 ± 0.5 GPa) approximately four times more compressible than the a axis (K 0(a) = 195 ± 3 GPa).  相似文献   

20.
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