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1.
The thermal evolution of 10-Å phase Mg3Si4O10(OH)2·H2O, a phyllosilicate which may have an important role in the storage/release of water in subducting slabs, was studied by X-ray single-crystal diffraction in the temperature range 116–293 K. The lattice parameters were measured at several intervals both on cooling and heating. The structural model was refined with intensity data collected at 116 K and compared to the model refined at room temperature. As expected for a layer silicate on cooling in this temperature range, the a and b lattice parameters undergo a small linear decrease, α a  = 1.7(4) 10?6 K?1 and α b  = 1.9(4) 10?6 K?1, where α is the linear thermal expansion coefficient. The greater variation is along the c axis and can be modeled with the second order polynomial c T  = c 293(1 + 6.7(4)10?5 K?1ΔT + 9.5(2.5)10?8 K?2T)2) where ΔT = T ? 293 K; the monoclinic angle β slightly increased. The cell volume thermal expansion can be modeled with the polynomial V T  V 293 (1 + 8.0 10?5 K?1 ΔT + 1.4 10?7 K?2T)2) where ΔT = T ? 293 is in K and V in Å3. These variations were similar to those expected for a pressure increase, indicating that T and P effects are approximately inverse. The least-squares refinement with intensity data measured at 116 K shows that the volume of the SiO4 tetrahedra does not change significantly, whereas the volume of the Mg octahedra slightly decreases. To adjust for the increased misfit between the tetrahedral and octahedral sheets, the tetrahedral rotation angle α changes from 0.58° to 1.38°, increasing the ditrigonalization of the silicate sheet. This deformation has implications on the H-bonds between the water molecule and the basal oxygen atoms. Furthermore, the highly anisotropic thermal ellipsoid of the H2O oxygen indicates positional disorder, similar to the disorder observed at room temperature. The low-temperature results support the hypothesis that the disorder is static. It can be modeled with a splitting of the interlayer oxygen site with a statistical distribution of the H2O molecules into two positions, 0.6 Å apart. The resulting shortest Obas–OW distances are 2.97 Å, with a significant shortening with respect to the value at room temperature. The low-temperature behavior of the H-bond system is consistent with that hypothesized at high pressure on the basis of the Raman spectra evolution with P.  相似文献   

2.
High pressure in situ synchrotron X-ray diffraction experiment of strontium orthophosphate Sr3(PO4)2 has been carried out to 20.0 GPa at room temperature using multianvil apparatus. Fitting a third-order Birch–Murnaghan equation of state to the PV data yields a volume of V 0 = 498.0 ± 0.1 Å3, an isothermal bulk modulus of K T  = 89.5 ± 1.7 GPa, and first pressure derivative of K T ′ = 6.57 ± 0.34. If K T ′ is fixed at 4, K T is obtained as 104.4 ± 1.2 GPa. Analysis of axial compressible modulus shows that the a-axis (K a  = 79.6 ± 3.2 GPa) is more compressible than the c-axis (K c  = 116.4 ± 4.3 GPa). Based on the high pressure Raman spectroscopic results, the mode Grüneisen parameters are determined and the average mode Grüneisen parameter of PO4 vibrations of Sr3(PO4)2 is calculated to be 0.30(2).  相似文献   

3.
Synchrotron-based in situ angle-dispersive X-ray diffraction experiments were conducted on a natural uvite-dominated tourmaline sample by using an external-heating diamond anvil cell at simultaneously high pressures and temperatures up to 18 GPa and 723 K, respectively. The angle-dispersive X-ray diffraction data reveal no indication of a structural phase transition over the P–T range of the current experiment in this study. The pressure–volume–temperature data were fitted by the high-temperature Birch–Murnaghan equation of state. Isothermal bulk modulus of K 0 = 96.6 (9) GPa, pressure derivative of the bulk modulus of \(K_{0}^{\prime } = 12.5 \;(4)\), thermal expansion coefficient of α 0 = 4.39 (27) × 10?5 K?1 and temperature derivative of the bulk modulus (?K/?T) P  = ?0.009 (6) GPa K?1 were obtained. The axial thermoelastic properties were also obtained with K a0 = 139 (2) GPa, \(K_{a0}^{\prime }\) = 11.5 (7) and α a0 = 1.00 (11) × 10?5 K?1 for the a-axis, and K c0 = 59 (1) GPa, \(K_{c0}^{\prime }\) = 11.4 (5) and α c0 = 2.41 (24) × 10?5 K?1 for the c-axis. Both of axial compression and thermal expansion exhibit large anisotropic behavior. Thermoelastic parameters of tourmaline in this study were also compared with that of the other two ring silicates of beryl and cordierite.  相似文献   

4.
A natural sample of clinochlore from the Longitudinal Valley area of northeastern Taiwan has been characterized by using the powder X-ray diffraction (XRD), differential thermal analysis and electron paramagnetic resonance (EPR) spectroscopic techniques. The lattice parameters of the monoclinic (IIb) clinochlore with the composition (Mg2.988 Al1.196 Fe1.6845 Mn0.026)5.8945 (Si2.559 Al1.441)4 O10 (OH)8 have been calculated from the powder XRD data and are found to be a = 5.347 Å, b = 9.223 Å, c = 14.250 Å, β = 97.2° and Z = 2. The thermal behaviour of the sample showed the typical behaviour of clinochlore with a hydroxyl content of 12.5 wt%. The EPR spectrum at room temperature exhibits two resonance signals centred at g ≈ 2.0 and g ≈ 8.0. The signal at g ≈ 2.0 shows a six-line hyperfine structure which is a characteristic of Mn2+ ions in octahedral symmetry. The resonance signal at g ≈ 8.0 is a characteristic of Fe3+ ions. The EPR spectra have also been recorded at different temperatures (123–295 K). The population of spin levels (N) has been calculated for g ≈ 2.0 and g ≈ 8.0 resonance signals. It is observed that N increases with decreasing temperature. From EPR spectra, the spin-Hamiltonian parameters have been evaluated. The zero-field splitting parameter (D) is found to be temperature dependent. The peak-to-peak width of the g ≈ 8.0 resonance signal is found to increase with decrease in temperature.  相似文献   

5.
We have collected high resolution neutron powder diffraction patterns from Na2SO4·10D2O over the temperature range 4.2–300 K following rapid quenching in liquid nitrogen, and over a series of slow warming and cooling cycles. The crystal is monoclinic, space-group P21/c (Z = 4) with a = 11.44214(4) Å, b = 10.34276(4) Å, c = 12.75486(6) Å, β = 107.847(1)°, and V = 1436.794(8) Å3 at 4.2 K (slowly cooled), and a = 11.51472(6) Å, b = 10.36495(6) Å, c = 12.84651(7) Å, β = 107.7543(1)°, V = 1460.20(1) Å3 at 300 K. Structures were refined to R P (Rietveld powder residual, \( R_{P} = {{\sum {\left| {I_{\text{obs}} - I_{\text{calc}} } \right|} } \mathord{\left/ {\vphantom {{\sum {\left| {I_{\text{obs}} - I_{\text{calc}} } \right|} } {\sum {I_{\text{obs}} } }}} \right. \kern-\nulldelimiterspace} {\sum {I_{\text{obs}} } }} \)) better than 2.5% at 4.2 K (quenched and slow cooled), 150 and 300 K. The sulfate disorder observed previously by Levy and Lisensky (Acta Cryst B34:3502–3510, 1978) was not present in our specimen, but we did observe changes with temperature in deuteron occupancies of the orientationally disordered water molecules coordinated to Na. The temperature dependence of the unit-cell volume from 4.2 to 300 K is well represented by a simple polynomial of the form V = ? 4.143(1) × 10?7 T 3 + 0.00047(2) T2 ? 0.027(2) T + 1437.0(1) Å3 (R 2 = 99.98%). The coefficient of volume thermal expansion, α V , is positive above 40 K, and displays a similar magnitude and temperature dependence to α V in deuterated epsomite and meridianiite. The relationship between the magnitude and orientation of the principal axes of the thermal expansion tensor and the main structural elements are discussed; freezing in of deuteron disorder in the quenched specimen affects the thermal expansion, manifested most obviously as a change in the behaviour of the unit-cell parameter β.  相似文献   

6.
(Ca x ,Sr1?x )ZrO3 and Ca(Sn y ,Zr1-y )O3 solid solutions were synthesized by solid-state reaction at high temperature before to be studied by powder X-ray diffraction and Raman Spectroscopy. Diffraction data allow the distortion of the ABO3 perovskite structure to be investigated according to cations substitution on A and B-sites. It is shown that distortion, characterized by Φ, the tilt angle of BO6 octahedra, slightly increases with decreasing y content in Ca(Sn y ,Zr1?y )O3 compounds and strongly decreases with decreasing x content in (Ca x ,Sr1?x )ZrO3 compounds. Such results are discussed in view of the relative A and B cation sizes. Raman data show that vibrational spectra are strongly affected by the cation substitution on A-site; the frequencies of most vibrational modes increase with increasing x content in (Ca x ,Sr1?x )ZrO3 compounds, i.e. with the decreasing mean size of the A-cation; the upper shift is observed for the 358 cm?1 mode (?ν/?r = ?60.1 cm?1/Å). On the other hand, the cation substitution on B-sites, slightly affect the spectra; it is shown that in most cases, the frequency of vibrational modes increases with increasing y content in Ca(Sn y ,Zr1?y )O3 compounds, i.e. with the decreasing mean size of the B-cation, but that two modes (287 and 358 cm?1) behave differently: their frequencies decrease with the decreasing mean size of the B-cation, with a shift respectively equal to +314 and +162 cm?1/Å. Such results could be used to predict the location of different elements such as trivalent cations or radwaste elements on A- or B-site, in the perovskite structure.  相似文献   

7.
A new synchrotron X-ray diffraction study of chromium oxide Cr2O3 (eskolaite) with the corundum-type structure has been carried out in a Kawai-type multi-anvil apparatus to pressure of 15 GPa and temperatures of 1873 K. Fitting the Birch–Murnaghan equation of state (EoS) with the present data up to 15 GPa yielded: bulk modulus (K 0,T0), 206 ± 4 GPa; its pressure derivative K0,T , 4.4 ± 0.8; (?K 0,T /?T) = ?0.037 ± 0.006 GPa K?1; a = 2.98 ± 0.14 × 10?5 K?1 and b = 0.47 ± 0.28 × 10?8 K?2, where α 0,T  = a + bT is the volumetric thermal expansion coefficient. The thermal expansion of Cr2O3 was additionally measured at the high-temperature powder diffraction experiment at ambient pressure and α 0,T0 was determined to be 2.95 × 10?5 K?1. The results indicate that coefficient of the thermal expansion calculated from the EoS appeared to be high-precision because it is consistent with the data obtained at 1 atm. However, our results contradict α 0 value suggested by Rigby et al. (Brit Ceram Trans J 45:137–148, 1946) widely used in many physical and geological databases. Fitting the Mie–Grüneisen–Debye EoS with the present ambient and high-pressure data yielded the following parameters: K 0,T0 = 205 ± 3 GPa, K0,T  = 4.0, Grüneisen parameter (γ 0) = 1.42 ± 0.80, q = 1.82 ± 0.56. The thermoelastic parameters indicate that Cr2O3 undergoes near isotropic compression at room and high temperatures up to 15 GPa. Cr2O3 is shown to be stable in this pressure range and adopts the corundum-type structure. Using obtained thermoelastic parameters, we calculated the reaction boundary of knorringite formation from enstatite and eskolaite. The Clapeyron slope (with \({\text{d}}P/{\text{d}}T = - 0.014\) GPa/K) was found to be consistent with experimental data.  相似文献   

8.
A 4-week laboratory experiment investigated the behaviour (survival and bioirrigation) and impact of the invasive polychaetes Marenzelleria viridis, M. neglecta and M. arctia on sediment-water solutes exchange, porewater chemistry, and Fe and P interactions in high-salinity sandy sediment (HSS) and low-salinity muddy sediment (LSM) from the Baltic Sea. M. viridis showed deep burrowing with efficient bioirrigation (11 L m?2 day?1) and high survival (71%) in HSS, while M. arctia exhibited shallow burrowing with high bioirrigation (12 L m?2 day?1) and survival (88%) in LSM. M. neglecta behaved poorly in both ecological settings (bioirrigation, 5–6 L m?2 day?1; survival, 21–44%). The deep M. viridis bioirrigation enhanced total microbial CO2 (TCO2) production in HSS by 175% with a net efflux of NH4+ and PO43?, at rates 3- to 27-fold higher than for the other species. Although the shallow and intense bioirrigation of M. arctia in LSM stimulated microbial TCO2 production to some extent (61% enhancement), the nutrient fluxes close to zero indicate that it effectively prevented the P release. Porewater Fe:PO43? ratios revealed that the oxidizing effect of M. arctia bioirrigation increased the PO43? adsorption capacity of LSM twofold relative to defaunated controls while no buffering of PO43? was detected in M. viridis HSS treatment. Therefore, the different behaviour of the three species in various environments and the sharp contrast between M. viridis and M. arctia effects on C, N and P cycling must be considered carefully when the ecological role of Marenzelleria species in the Baltic Sea is evaluated.  相似文献   

9.
A pyroxene with composition LiNiSi2O6 was synthesized at T = 1,473 K and P = 2.0 GPa; the cell parameters at T = 298 K are a = 9.4169(6) Å, b = 8.4465(7) Å, c = 5.2464(3) Å, β = 110.534(6)°, V = 390.78(3) Å3. TEM examination of the LiNiSi2O6 pyroxene showed the presence of h + k odd reflections indicative of a primitive lattice, and of antiphase domains obtained by dark field imaging of the h + k odd reflections. A HT in situ investigation was performed by examining TEM selected area diffraction patterns collected at high temperature and synchrotron radiation powder diffraction. In HTTEM the LiNiSi2O6 was examined together with LiCrSi2O6 pyroxene. In LiCrSi2O6 the h + k odd critical reflections disappear at about 340 K; they are sharp up to the transition temperature and do not change their shape until they disappear. In LiNiSi2O6 the h + k odd reflections are present up to sample deterioration at 650 K. A high temperature synchrotron radiation powder diffraction investigation was performed on LiNiSi2O6 between 298 and 773 K. The analysis of critical reflections and of changes in cell parameters shows that the space group is P-centred up to the highest temperature. The comparative analysis of the thermal and spontaneous strain contributions in P21/c and C2/c pyroxenes indicates that the high temperature strain in P-LiNiSi2O6 is very similar to that due to thermal strain only in C2/c spodumene and that a spontaneous strain contribution related to pre-transition features is not apparent in LiNiSi2O6. A different high-temperature behaviour in LiNiSi2O6 with respect to other pyroxenes is suggested, possibly in relation with the presence of Jahn–Teller distortion of the M1 polyhedron centred by low-spin Ni3+.  相似文献   

10.
We have collected high-resolution neutron powder diffraction patterns from MgSO4·11D2O over the temperature range 4.2–250 K. The crystal is triclinic, space-group \( \text{P} \bar{1} \) (Z = 2) with a = 6.72746(6) Å, b = 6.78141(6) Å, c = 17.31803(13) Å, α = 88.2062(6)°, β = 89.4473(8)°, γ = 62.6075(5)°, and V = 701.140(6) Å3 at 4.2 K, and a = 6.75081(3) Å, b = 6.81463(3) Å, c = 17.29241(6) Å, α = 88.1183(3)°, β = 89.4808(3)°, γ = 62.6891(3)°, and V = 706.450(3) Å3 at 250 K. Structures were refined to wRp = 3.99 and 2.84% at 4.2 and 250 K, respectively. The temperature dependence of the lattice parameters over the intervening range have been fitted with a modified Einstein oscillator model which was used to obtain the coefficients of the thermal expansion tensor. The volume thermal expansion, αV, is considerably smaller than ice Ih at all temperatures, and smaller even than MgSO4·7D2O (although ?αV/?T is very similar for both sulfates); MgSO4·11D2O exhibits negative αV below 55 K (compared to 70 K in D2O ice Ih and 20 K in MgSO4·7D2O) The relationship between the magnitude and orientation of the principal axes of the expansion tensor and the main structural elements are discussed.  相似文献   

11.
The comparative compressibility and high-pressure stability of a natural epidote (0.79 Fe-total per formula unit, Fetot pfu) and clinozoisite (0.40 Fetot pfu) were investigated by single-crystal X-ray diffraction and Raman spectroscopy. The lattice parameters of both phases exhibit continuous compression behavior up to 30 GPa without evidence of phase transformation. Pressure–volume data for both phases were fitted to a third-order Birch–Murnaghan equation of state with V 0 = 461.1(1) Å3, K 0 = 115(2) GPa, and \(K_{0}^{'}\) = 3.7(2) for epidote and V 0 = 457.8(1) Å3, K 0 = 142(3) GPa, and \(K_{0}^{'}\) = 5.2(4) for clinozoisite. In both epidote and clinozoisite, the b-axis is the stiffest direction, and the ratios of axial compressibility are 1.19:1.00:1.15 for epidote and 1.82:1.00:1.19 for clinozoisite. Whereas the compressibility of the a-axis is nearly the same for both phases, the b- and c-axes of the epidote are about 1.5 times more compressible than in clinozoisite, consistent with epidote having a lower bulk modulus. Raman spectra collected up to 40.4 GPa also show no indication of phase transformation and were used to obtain mode Grüneisen parameters (γ i) for Si–O vibrations, which were found to be 0.5–0.8, typical for hydrous silicate minerals. The average pressure coefficient of Raman frequency shifts for M–O modes in epidote, 2.61(6) cm?1/GPa, is larger than found for clinozoisite, 2.40(6) cm?1/GPa, mainly due to the different compressibility of FeO6 and AlO6 octahedra in M3 sites. Epidote and clinozoisite contain about 2 wt% H2O are thus potentially important carriers of water in subducted slabs.  相似文献   

12.
In situ high-pressure synchrotron X-ray diffraction and Raman spectroscopic studies of orthorhombic CaFe2O4-type β-CaCr2O4 chromite were carried out up to 16.2 and 32.0 GPa at room temperature using multi-anvil apparatus and diamond anvil cell, respectively. No phase transition was observed in this study. Fitting a third-order Birch–Murnaghan equation of state to the P–V data yields a zero-pressure volume of V 0 = 286.8(1) Å3, an isothermal bulk modulus of K 0 = 183(5) GPa and the first pressure derivative of isothermal bulk modulus K 0′ = 4.1(8). Analyses of axial compressibilities show anisotropic elasticity for β-CaCr2O4 since the a-axis is more compressible than the b- and c-axis. Based on the obtained and previous results, the compressibility of several CaFe2O4-type phases was compared. The high-pressure Raman spectra of β-CaCr2O4 were analyzed to determine the pressure dependences and mode Grüneisen parameters of Raman-active bands. The thermal Grüneisen parameter of β-CaCr2O4 is determined to be 0.93(2), which is smaller than those of CaFe2O4-type CaAl2O4 and MgAl2O4.  相似文献   

13.
In this study, teff (Eragrostis tef) straw has been chemically treated and tested as an adsorbent for Cr(VI) removal. Chemically treatment of teff straw was done by NaOH, H3PO4 and ZnCl2 solutions. Scanning electron micrograph and X-ray diffraction were used for anatomical characterization, whereas Fourier transform infrared spectroscopy was used for surface change characterization of adsorbents. Effects of different experimental parameters like pH (2–12), initial Cr(VI) concentration (100–900 mg/L), adsorbent dose (2.5–20 g/L), contact time (15–360 min) and temperature (288–318 K) were studied. Temperature increment was found to stimulate the adsorption process. Langmuir isotherm was found to give better representation over wide range of temperature for untreated, H3PO4- as well as ZnCl2-treated teff straw, and Freundlich isotherm best represented the isotherm data for NaOH-treated teff straw. Maximum Cr(VI) adsorption capacity of untreated, NaOH-, H3PO4- and ZnCl2-treated teff straw was found to be 86.1, 73.8, 89.3 and 88.9 mg/g, respectively. Respective values of average effective diffusion coefficient (D e) were found to be 2.8 × 10?13, 2.59 × 10?14, 1.32 × 10?13 and 1.14 × 10?13 m2/s, respectively. The negative value of ΔG o for all the adsorbents indicates Cr(VI) spontaneous adsorption. Isosteric heat of adsorption (ΔH st,a) was found to vary with surface coverage (θ). ΔH st,a increased for untreated, H3PO4- and ZnCl2-treated teff straw, and decreased steadily with θ for NaOH-treated teff straw.  相似文献   

14.
15.
A new pyroxene with formula (Na0.86Mg0.14)(Mg0.57Ti0.43)Si2O6, synthesized in a high-pressure toroidal ‘anvil-with-hole’ apparatus at P = 7 GPa and T = 1700 °C, was characterized by X-ray single-crystal diffraction and Raman spectroscopy. The compound was found to be monoclinic (R1 = 2.56 %), space group C2/c, with lattice parameters a = 9.687(2), b = 8.814(1), c = 5.290(1) Å, β = 107.853(2)°, V = 430.08(1) Å3. The coexistence of Mg and Ti4+ at the M1 site does not induce strong modifications either to the M1 site or to the adjacent M2 site. The Raman spectrum of synthetic Na–Ti-pyroxene was obtained for the first time and compared with that of Mg2Si2O6 (with very low concentrations of Na and Ti). The structural characterization of the Na–Ti–Mg-pyroxene is important, because the study of its thermodynamic constants provides new constraints on thermobarometry of the upper mantle assemblages.  相似文献   

16.
A mechanism for the separation of chemical elements and isotopes in the atmospheres of chemically peculiar (CP) stars due to light-induced drift (LID) of ions is discussed. The efficiency of separation due to LID is proportional to the relative difference of the transport frequencies for collisions of ions of heavy elements located in the excited state (collision frequency ν e ) and ground state (collision frequency ν g ) with neutral buffer particles (hydrogen and helium), (ν e ? ν g )/ν g . The known interaction potentials are used to numerically compute the relative difference (ν e H ? ν g H )/νg H for collisions between the ions Be+, Mg+, Ca+, Sr+, Cd+, Ba+, Al+, and C+ and hydrogen atoms. These computations show that, at the temperatures characteristic of the atmospheres of CP stars, T = 7000?20 000 K, values of |ν e H g H |/ν g H ≈ 0.1?0.4 are obtained. With such relative differences in the transport collision frequencies, the LID rate of ions in the atmospheres of coolCP stars (T < 10000 K) can reach ~0.1 cm/s,which exceeds the drift rate due to light pressure by an order of magnitude. This means that, under these conditions, the separation of chemical elements under the action of LID of ions could be an order of magnitude more efficient than separation due to light pressure. Roughly the same manifestations of LID and light pressure are also expected in the atmospheres of hotter stars (20 000 > T > 10 000 K). LID of heavy ions is manifest only weakly in very hot stars (T > 20 000 K).  相似文献   

17.
Abundance of the prymnesiophyte Phaeocystis pouchetii was quantified via light microscopy at 2-week to monthly intervals in Massachusetts Bay (southern Gulf of Maine, NW Atlantic) during 1992–2012. Variability in the abundance and seasonal cycle of Phaeocystis are described and synoptic hydrographic, nutrient, and meteorological data were analyzed to identify factors that may influence Phaeocystis abundance. The maximum Phaeocystis abundance was 14?×?106 cells L?1 (10 Apr 2008). It was frequently (5 of 8 years) absent prior to year 2000, but not thereafter. Seasonally, it first appeared in February to early March, reached peak abundance in mid-April, and persisted until May or early June for a duration of 0–112 days (mean 34 days). A long-term alternation between Phaeocystis and centric diatom abundance was apparent, suggesting winter-spring selection of either Phaeocystis or centric diatoms. Phytoplankton community analysis suggested that blooms affected the rest of the phytoplankton community. Phaeocystis blooms were manifest as a substantial increase in particulate nutrients above normal levels. Phaeocystis blooms were preceded in February by a slightly elevated concentration of NO3 (9.3 vs. 6.5 μM when absent) and PO4 (0.99 vs. 0.79 μM when absent). Blooms were also preceded by elevated ratios of NO3/PO4, NO3/Si, and PO4/Si, and warmer, saltier waters reflecting reduced river discharge. The correlation with salinity and river discharge suggests that Phaeocystis bloom variability is partially determined by annually varying circulation processes that determine the degree of low nutrient, low salinity coastal water intrusion into Massachusetts Bay.  相似文献   

18.
Thaumasite, Ca3Si(OH)6(CO3)(SO4)12H2O, occurs as a low-temperature secondary alteration phase in mafic igneous and metamorphic rocks, and is recognized as a product and indicator of sulfate attack in Portland cement. It is also the only mineral known to contain silicon in six-coordination with hydroxyl (OH)? that is stable at ambient PT conditions. Thermal expansion of the various components of this unusual structure has been determined from single-crystal X-ray structure refinements of natural thaumasite at 130 and 298 K. No phase transitions were observed over this temperature range. Cell parameters at room temperature are: a= 11.0538(6) Å, c=10.4111(8) Å and V=1101.67(10) Å3, and were measured at intervals of about 50 K between 130 and 298 K, resulting in mean axial and volumetric coefficients of thermal expansion (×10?5K?1); α a =1.7(1), α c =2.1(2), and α V =5.6(2). Although the unit cell and VIIICaO8 polyhedra show significant positive thermal expansion over this temperature range, the silicate octahedron, sulfate tetrahedron, and carbonate group show zero or negative thermal expansion, with α V (VISiO6) = ?0.6 ± 1.1, α V (IVSO4)=?5.8 ± 1.4, and α R (C–O)= 0.0 ± 1.8 (×10?5 K?1). Most of the thermal expansion is accommodated by lengthening of the R(O...O) hydrogen bond distances by on average 5σ, although the hydrogen bonds involving hydroxyl sites on VISi expand twice as much as those on molecular water, causing the [Ca3Si(OH)6(H2O)12]4+ columns to expand in diameter more than they move apart over this temperature range. The average Si–OH bond length of the six-coordinated Si atom 〈R(VISi–OH)〉 in thaumasite is 1.783(1) Å, being about 0.02 Å (?20σ) shorter than VISi–OH in the dense hydrous magnesium silicate, phase D, MgSi2H2O6.  相似文献   

19.
Effective soil thermal conductivity (λ eff) describes the ability of a multiphase soil to transmit heat by conduction under unit temperature gradient. It is a critical parameter for environmental science, earth and planetary science, and engineering applications. Numerous models are available in the literature, but their applicability is generally restricted to certain soil types or water contents (θ). The objective of this study was to develop a new model in the similar form of the Johansen 1975 model to simulate the λ eff(θ) relationship of soils of various soil textures and water contents. An exponential type model with two parameters is developed and a new function for calculating dry soil thermal conductivity is presented. Performance of the new model and six other normalized models were evaluated with published datasets. The results show that the new model is able to well mimic λ eff(θ) relationship of soils from sand to silt loam and from oven dry to full saturation. In addition, it has the best performance among the seven models under test (with root-mean-square error of 0.059 W m?1 °C?1, average deviations of 0.0009 W m?1 °C?1, and Nash–Sutcliffe efficiency of 0.994). The new model has potential to improve the reliability of soil thermal conductivity estimation and be incorporated into numerical modeling for environmental, earth and engineering studies.  相似文献   

20.
The improvement in the capabilities of Landsat-8 imagery to retrieve bathymetric information in shallow coastal waters was examined. Landsat-8 images have an additional band named coastal/aerosol, Band 1: 435–451 nm in comparison with former generation of Landsat imagery. The selected Landsat-8 operational land image (OLI) was of Chabahar Bay, located in the southern part of Iran (acquired on February 22, 2014 in calm weather and relatively low turbidity). Accurate and high resolution bathymetric data from the study area, produced by field surveys using a single beam echo-sounder, were selected for calibrating the models and validating the results. Three methods, including traditional linear and ratio transform techniques, as well as a novel proposed integrated method, were used to determine depth values. All possible combinations of the three bands [coastal/aerosol (CB), blue (B), and green (G)] have been considered (11 options) using the traditional linear and ratio transform techniques, together with five model options for the integrated method. The accuracy of each model was assessed by comparing the determined bathymetric information with field measured values. The standard error of the estimates, correlation coefficients (R 2 ) for both calibration and validation points, and root mean square errors (RMSE) were calculated for all cases. When compared with the ratio transform method, the method employing linear transformation with a combination of CB, B, and G bands yielded more accurate results (standard error = 1.712 m, R 2 calibration = 0.594, R 2 validation = 0.551, and RMSE =1.80 m). Adding the CB band to the ratio transform methodology also dramatically increased the accuracy of the estimated depths, whereas this increment was not statistically significant when using the linear transform methodology. The integrated transform method in form of Depth = b 0  + b 1 X CB  + b 2 X B  + b 5 ln(R CB )/ln(R G ) + b 6 ln(R B )/ln(R G ) yielded the highest accuracy (standard error = 1.634 m, R 2 calibration = 0.634, R 2 validation = 0.595, and RMSE = 1.71 m), where R i (i = CB, B, or G) refers to atmospherically corrected reflectance values in the i th band [X i  = ln(R i -R deep water)].  相似文献   

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