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1.
The hydrogeologic and hydraulic characteristics of a lateritic terrain in West Bengal, India, were investigated. Test drilling was conducted at ten sites and grain-size distribution curves (GSDCs) were prepared for 275 geologic samples. Performance evaluation of eight grain-size-analysis (GSA) methods was carried out to estimate the hydraulic conductivity (K) of subsurface formations. Finally, the GSA results were validated against pumping-test data. The GSDCs indicated that shallow aquifer layers are coarser than the deeper aquifer layers (uniformity coefficient 0.19–11.4). Stratigraphy analysis revealed that both shallow and deep aquifers of varying thickness exist at depths 9–40 and 40–79 m, respectively. The mean K estimates by the GSA methods are 3.62–292.86 m/day for shallow aquifer layers and 0.97–209.93 m/day for the deeper aquifer layers, suggesting significant aquifer heterogeneity. Pumping-test data indicated that the deeper aquifers are leaky confined with transmissivity 122.69–693.79 m2/day, storage coefficient 1.01?×?10?7–2.13?×?10?4 and leakance 2.01?×?10?7–34.56?×?10?2 day?1. Although the K values yielded by the GSA methods are generally larger than those obtained from the pumping tests, the Slichter, Harleman and US Bureau Reclamation (USBR) GSA methods yielded reasonable values at most of the sites (1–3 times higher than K estimates by the pumping-test method). In conclusion, more reliable aquifers exist at deeper depths that can be tapped for dependable water supply. GSA methods such as Slichter, Harleman and USBR can be used for the preliminary assessment of K in lateritic terrains in the absence of reliable field methods.  相似文献   

2.
This study investigates the impact of model complexity and multi-scale prior hydrogeological data on the interpretation of pumping test data in a dual-porosity aquifer (the Chalk aquifer in England, UK). In order to characterize the hydrogeological properties, different approaches ranging from a traditional analytical solution (Theis approach) to more sophisticated numerical models with automatically calibrated input parameters are applied. Comparisons of results from the different approaches show that neither traditional analytical solutions nor a numerical model assuming a homogenous and isotropic aquifer can adequately explain the observed drawdowns. A better reproduction of the observed drawdowns in all seven monitoring locations is instead achieved when medium and local-scale prior information about the vertical hydraulic conductivity (K) distribution is used to constrain the model calibration process. In particular, the integration of medium-scale vertical K variations based on flowmeter measurements lead to an improvement in the goodness-of-fit of the simulated drawdowns of about 30%. Further improvements (up to 70%) were observed when a simple upscaling approach was used to integrate small-scale K data to constrain the automatic calibration process of the numerical model. Although the analysis focuses on a specific case study, these results provide insights about the representativeness of the estimates of hydrogeological properties based on different interpretations of pumping test data, and promote the integration of multi-scale data for the characterization of heterogeneous aquifers in complex hydrogeological settings.  相似文献   

3.
The combined use of pumping and tracer test data enabled the derivation of equivalent average hydraulic conductivities (Kavg) for each test in a heterogeneous channelized alluvial aquifer, whereas K values of the preferential flow paths were two orders of magnitude higher. Greater and earlier drawdown was generally observed along preferential flow lines in a pumping test, within an array of 21 wells. The study aim was to characterize hydraulic properties of a channelized aquifer system in New Zealand by combining tracer and pumping test data. Estimates were able to be made of the percentage of highly permeable channels within the profile (~1.2%), effective porosity that reflected the maximum fraction of highly permeable channels within the aquifer (?eff–pc ~0.0038), and flows through highly permeable channels (~98%) and the sandy gravel matrix material (~2%). Using ?eff–pc, a tracer test Kavg value (~93 m/day) was estimated that was equivalent to pumping test values (~100 m/day), but two orders of magnitude smaller than K calculated solely from transport through permeable channels (Kpc ~8,400 m/day). Derived K values of permeable and matrix material were similar to values derived from grain size distribution using the Kozeny-Carman equation.  相似文献   

4.
A numerical groundwater model of the weathered crystalline aquifer of Ursuya (a major water source for the north-western Pyrenees region, south-western France) has been computed based on monitoring of hydrological, hydrodynamic and meteorological parameters over 3 years. The equivalent porous media model was used to simulate groundwater flow in the different layers of the weathered profile: from surface to depth, the weathered layer (5?·?10?8?≤?K?≤?5?·? 10?7 m s?1), the transition layer (7?·?10?8?≤?K?≤?1?·? 10?5 m s?1, the highest values being along major discontinuities), two fissured layers (3.5?·?10?8?≤?K?≤?5?·?? 10?4 m s?1, depending on weathering profile conditions and on the existence of active fractures), and the hard-rock basement simulated with a negligible hydraulic conductivity (K = 1 10 ?9 ). Hydrodynamic properties of these five calculation layers demonstrate both the impact of the weathering degree and of the discontinuities on the groundwater flow. The great agreement between simulated and observed hydraulic conditions allowed for validation of the methodology and its proposed use for application on analogous aquifers. With the aim of long-term management of this strategic aquifer, the model was then used to evaluate the impact of climate change on the groundwater resource. The simulations performed according to the most pessimistic climatic scenario until 2050 show a low sensitivity of the aquifer. The decreasing trend of the natural discharge is estimated at about ?360 m3 y?1 for recharge decreasing at about ?5.6 mm y?1 (0.8 % of annual recharge).  相似文献   

5.
The classical aquitard-drainage model COMPAC has been modified to simulate the compaction process of a heterogeneous aquitard consisting of multiple sub-units (Multi-COMPAC). By coupling Multi-COMPAC with the parameter estimation code PEST++, the vertical hydraulic conductivity (K v) and elastic (S ske) and inelastic (S skp) skeletal specific-storage values of each sub-unit can be estimated using observed long-term multi-extensometer and groundwater level data. The approach was first tested through a synthetic case with known parameters. Results of the synthetic case revealed that it was possible to accurately estimate the three parameters for each sub-unit. Next, the methodology was applied to a field site located in Changzhou city, China. Based on the detailed stratigraphic information and extensometer data, the aquitard of interest was subdivided into three sub-units. Parameters K v, S ske and S skp of each sub-unit were estimated simultaneously and then were compared with laboratory results and with bulk values and geologic data from previous studies, demonstrating the reliability of parameter estimates. Estimated S skp values ranged within the magnitude of 10?4 m?1, while K v ranged over 10?10–10?8 m/s, suggesting moderately high heterogeneity of the aquitard. However, the elastic deformation of the third sub-unit, consisting of soft plastic silty clay, is masked by delayed drainage, and the inverse procedure leads to large uncertainty in the S ske estimate for this sub-unit.  相似文献   

6.
In 1967, the US Geological Survey (USGS) published the results of 141 pumping tests carried out throughout the Pakistani Punjab to establish representative hydraulic parameters of its large aquifer. Many authors have since concluded that the USGS had over-estimated the horizontal hydraulic conductivity (k r) by 25–100 %, leaving vertical anisotropy and aquifer depth unresolved. No test wells have ever been drilled below 450 m to reach the base of the aquifer, although petroleum explorations mention depths between 1,500 and 4,500 m. After comparison and re-evaluation of all related papers, this study concludes that the USGS interpretation was correct, that its hydraulic values still stand without change, and that the USGS’s applied distance drawdown interpretation is valid to prevent influence of partial penetration on the results. This study also uniquely resolved vertical anisotropy and aquifer thickness by using early- and late-time drawdowns separately and proper scaling of the coordinates, which has often been omitted. With appropriate scaling, all interpretations match the data. The representative hydraulic aquifer values are: k r?=?65 m/d, vertical anisotropy k r/k z?=?25 and aquifer depth 500–1,500 m. The conclusion is that these values can be used, at least as first estimates, for groundwater studies in the Pakistani Punjab.  相似文献   

7.
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   

8.
Due to increases in water demand, the City of Kenedy, TX, USA must expand their small drinking water supply in the Gulf Coast aquifer system. Groundwater wells owned by the City of Kenedy, Karnes County, TX were examined to estimate properties for the Jasper aquifer. Conditions of four wells were assessed, after which two wells were rehabilitated and used as pumping wells in aquifer tests. Aquifer tests show that recovery in observation wells was not coincident with the cessation of pumping. Post-pumping data were selectively excluded so that only recovery data were used for analyses. Transmissivity for the Jasper aquifer ranges from 102 to 242 m2 d?1, and storativity ranges from 6.9E?05 to 3.3E?04. Transmissivity computed from recovery data was approximately 25 % higher than transmissivity computed from time-drawdown data. Field measured specific capacities and drawdowns were compared to theoretical specific capacities and drawdowns to calculate pumping well efficiencies in the range of 52.2–99.4 %. This study indicates that water demand for the City of Kenedy could be met by incorporating the tested wells into the water supply system. Future studies should be designed to estimate groundwater recharge rates and a complete water balance for computing a sustainable maximum annual yield.  相似文献   

9.
The current study aimed to evaluate hydrogeologically the Nubian sandstone aquifer in El-Bahariya Oasis. It represents the main water-bearing horizon in the study area and consists of continental elastic sediments, mainly sandstone alternating with shale and clays. The general flow lines are directed from SW to NE direction, as detected from the constructed potentiometric head contour map. The piezometric surface reaches 149 m in El-Heiz area at the southern part, while it reaches 90 m at the northern, reflecting higher pressure head of the aquifer in the southern part. The map also illustrates that the southern part is considered as the most promising location for development. The structural elements play an important role in the deposition and distribution of the sedimentary succession of the Nubian sandstone sediments. Consequently, this sedimentary pattern affects the occurrences and movements of the groundwater within the aquifer system. Along the structurally high areas, in the study area, the piezometric head increases, while the reverse is recorded along the structurally low areas. The step-drawdown tests data were carried out by calculating the aquifer loss coefficient (B) and the well loss constant (C). The B values are smaller compared with C values, indicating that the aquifer under pressure has a behavior of leaky aquifer; therefore, it shows hydraulic connection with surrounding formation. The values of well efficiency range from 78.50% to 87.76%. Analysis of 12 pumping test data (constant discharge tests) was carried out in order to calculate the Nubian aquifer hydraulic parameters (transmissivity, hydraulic conductivity, and storage coefficient). The transmissivity values decrease from 3,045 m2/day in the southern part (El-Heiz area) to 236 m2/day in the northeastern part (El-Harra area). Accordingly, the aquifer classified as a high to moderate potentiality. Transmissivity contour map observes gradual increase of transmissivity values from the southern to northeastern direction. This may be due to the increase of shale or clay content in the concerned aquifer in that direction. The storage coefficient values range between 1.04 × 10?4 and 5.22 × 10?3, as obtained from the results of pumping test analysis, which ensure that the Nubian sandstone aquifer is classified as semi-confined to confined aquifer type. The S values show a decrease from southwest to northeast direction as detected from S-map. The hydraulic conductivity values vary from to 0.46 m/day in the northern part to 10.88 m/day in the southern part with an average of 5.67 m/day. According to the classification based on K values, the aquifer is mainly composed of coarse sand.  相似文献   

10.
The elastic and structural behaviour of the synthetic zeolite CsAlSi5O12 (= 16.753(4), = 13.797(3) and = 5.0235(17) Å, space group Ama2, Z = 2) were investigated up to 8.5 GPa by in situ single-crystal X-ray diffraction with a diamond anvil cell under hydrostatic conditions. No phase-transition occurs within the P-range investigated. Fitting the volume data with a third-order Birch–Murnaghan equation-of-state gives: V 0 = 1,155(4) Å3, K T0 = 20(1) GPa and K′ = 6.5(7). The “axial moduli” were calculated with a third-order “linearized” BM-EoS, substituting the cube of the individual lattice parameter (a 3, b 3, c 3) for the volume. The refined axial-EoS parameters are: a 0 = 16.701(44) Å, K T0a = 14(2) GPa (βa = 0.024(3) GPa?1), K′ a = 6.2(8) for the a-axis; b 0 = 13.778(20) Å, K T0b = 21(3) GPa (βb = 0.016(2) GPa?1), K′ b = 10(2) for the b-axis; c 0 = 5.018(7) Å, K T0c = 33(3) GPa (βc = 0.010(1) GPa?1), K′ c = 3.2(8) for the c-axis (K T0a:K T0b:K T0c = 1:1.50:2.36). The HP-crystal structure evolution was studied on the basis of several structural refinements at different pressures: 0.0001 GPa (with crystal in DAC without any pressure medium), 1.58(3), 1.75(4), 1.94(6), 3.25(4), 4.69(5), 7.36(6), 8.45(5) and 0.0001 GPa (after decompression). The main deformation mechanisms at high-pressure are basically driven by tetrahedral tilting, the tetrahedra behaving as rigid-units. A change in the compressional mechanisms was observed at ≤ 2 GPa. The P-induced structural rearrangement up to 8.5 GPa is completely reversible. The high thermo-elastic stability of CsAlSi5O12, the immobility of Cs at HT/HP-conditions, the preservation of crystallinity at least up to 8.5 GPa and 1,000°C in elastic regime and the extremely low leaching rate of Cs from CsAlSi5O12 allow to consider this open-framework silicate as functional material potentially usable for fixation and deposition of Cs radioisotopes.  相似文献   

11.
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   

12.
The thermoelastic parameters of the CAS phase (CaAl4Si2O11) were examined by in situ high-pressure (up to 23.7 GPa) and high-temperature (up to 2,100 K) synchrotron X-ray diffraction, using a Kawai-type multi-anvil press. PV data at room temperature fitted to a third-order Birch–Murnaghan equation of state (BM EOS) yielded: V 0,300 = 324.2 ± 0.2 Å3 and K 0,300 = 164 ± 6 GPa for K′ 0,300 = 6.2 ± 0.8. With K′ 0,300 fixed to 4.0, we obtained: V 0,300 = 324.0 ± 0.1 Å3 and K 0,300 = 180 ± 1 GPa. Fitting our PVT data with a modified high-temperature BM EOS, we obtained: V 0,300 = 324.2 ± 0.1 Å3, K 0,300 = 171 ± 5 GPa, K′ 0,300 = 5.1 ± 0.6 (?K 0,T /?T) P  = ?0.023 ± 0.006 GPa K?1, and α0,T  = 3.09 ± 0.25 × 10?5 K?1. Using the equation of state parameters of the CAS phase determined in the present study, we calculated a density profile of a hypothetical continental crust that would contain ~10 vol% of CaAl4Si2O11. Because of the higher density compared with the coexisting minerals, the CAS phase is expected to be a plunging agent for continental crust subducted in the transition zone. On the other hand, because of the lower density compared with lower mantle minerals, the CAS phase is expected to remain buoyant in the lowermost part of the transition zone.  相似文献   

13.
The crystal chemistry and the elastic behavior under isothermal conditions up to 9 GPa of a natural, and extremely rare, 3T-phlogopite from Traversella (Valchiusella, Turin, Western Alps) [(K0.99Na0.05Ba0.01)(Mg2.60Al0.20Fe 0.21 2+ )[Si2.71Al1.29O10](OH)2, space group P3112, with a = 5.3167(4), c = 30.440(2) Å, and V = 745.16(9) ų] have been investigated by electron microprobe analysis in wavelength dispersion mode, single-crystal X-ray diffraction at 100 K, and in situ high-pressure synchrotron radiation powder diffraction (at room temperature) with a diamond anvil cell. The single-crystal refinement confirms the general structure features expected for trioctahedral micas, with the inter-layer site partially occupied by potassium and sodium, iron almost homogeneously distributed over the three independent octahedral sites, and the average bond distances of the two unique tetrahedra suggesting a disordered Si/Al-distribution (i.e., 〈T1-O〉 ~ 1.658 and 〈T2-O〉 ~ 1.656 Å). The location of the H-site confirms the orientation of the O–H vector nearly perpendicular to (0001). The refinement converged with R 1(F) = 0.0382, 846 unique reflections with F O > 4σ(F O) and 61 refined parameters, and not significant residuals in the final difference-Fourier map of the electron density (+0.77/?0.37 e ?3). The high-pressure experiments showed no phase transition within the pressure range investigated. The PV data were fitted with a Murnaghan (M-EoS) and a third-order Birch-Murnaghan equation of state (BM-EoS), yielding: (1) M-EoS, V 0 = 747.0(3) Å3, K T0 = 44.5(24) GPa, and K′ = 8.0(9); (2) BM-EoS, V 0 = 747.0(3) Å3, K T0 = 42.8(29) GPa, and K′ = 9.9(17). A comparison between the elastic behavior in response to pressure observed in 1M- and 3T-phlogopite is made.  相似文献   

14.
Unlike the studies in small parcels by systematic measurements, the spatial variability of soil properties is expected to increase in those over relatively large areas or scales. Spatial variability of soil hydraulic conductivity (K h) is of significance for the environmental processes, such as soil erosion, plant growth, transport of the plant nutrients in a soil profile and ground water levels. However, its variability is not much and sufficiently known at basin scale. A study of testing the performance of cokriging of K h compared with that of kriging was conducted in the catchment area of Sarayköy II Irrigation Dam in Cank?r?, Turkey. A total of 300 soil surface samples (0–10 cm) were collected from the catchment with irregular intervals. Of the selected soil properties, because the water-stable aggregates (WSA) indicated the highest relationship with the hydraulic conductivity by the Pearson correlation analysis, it is used as an auxiliary variable to predict K h by the cokriging procedure. In addition, the sampling density was reduced randomly to n = 175, n = 150, n = 75 and n = 50 for K h to determine if the superiority of cokriging over kriging would exist. Statistically, the results showed that all reduced K h was as good as the complete K h when its auxiliary relations with WSA were used in cokriging. Particularly, the results of the “Relative Reduction in MSE” (RMSE) revealed that the reduced data set of n = 75 produced the most accurate map than the others. In this basin-scaled study, there was a clear superiority of the cokriging procedure by the reduction in data although a very undulating topography and topographically different aspects, two different land uses with non-uniform vegetation density, different parent materials and soil textures were present in the area. Hence, using the statistically significant auxiliary relationship between K h and WSA might bring about a very useful data set for watershed hydrological researches.  相似文献   

15.
A characterization study was carried out in a 10-m-thick sandfill, formed by hydraulic filling with marine sand, in Singapore. Placement methods and compaction were found to influence hydrostratigraphy. The deepest part of the sandfill consists of a loose sand layer and is overlain by a medium sand layer extending to mean sea level (MSL). At certain locations, a thin silty-sand layer was found. The different layers within the saturated zone were found to have different values for hydraulic conductivity (K) and groundwater flow velocity. Estimates for K increase according to the following sequence of methods: repacked sand column, step-pumping test, grain-size analysis and slug test. Slug tests and grain-size analysis yielded comparable estimates of K. The freshwater lens in the older part of the sandfill is about 2 m thicker than in a recently completed area. Comparisons of Ca2+/Cl?, Mg2+/Cl?, K +/Cl? and \({\text{Cl}}^{{\text{ - }}} {\text{/}}{\left( {{\text{Cl}}^{{\text{ - }}} {\text{ + HCO}}^{{\text{ - }}}_{{\text{3}}} } \right)}\) ratios indicate that the chemical composition of the groundwater at shallower depths has probably been altered by mineral dissolution. Weathering of carbonate minerals was found to be a major contributor to the major ions at these depths. The molar ratios approach the value for seawater at greater depths. The groundwater is close to equilibrium with calcite.  相似文献   

16.
Non-Darcian flow to a partially penetrating well in a confined aquifer with a finite-thickness skin was investigated. The Izbash equation is used to describe the non-Darcian flow in the horizontal direction, and the vertical flow is described as Darcian. The solution for the newly developed non-Darcian flow model can be obtained by applying the linearization procedure in conjunction with the Laplace transform and the finite Fourier cosine transform. The flow model combines the effects of the non-Darcian flow, partial penetration of the well, and the finite thickness of the well skin. The results show that the depression cone spread is larger for the Darcian flow than for the non-Darcian flow. The drawdowns within the skin zone for a fully penetrating well are smaller than those for the partially penetrating well. The skin type and skin thickness have great impact on the drawdown in the skin zone, while they have little influence on drawdown in the formation zone. The sensitivity analysis indicates that the drawdown in the formation zone is sensitive to the power index (n), the length of well screen (w), the apparent radial hydraulic conductivity of the formation zone (K r2), and the specific storage of the formation zone (S s2) at early times, and it is very sensitive to the parameters n, w and K r2 at late times, especially to n, while it is not sensitive to the skin thickness (r s).  相似文献   

17.
A multi-layered aquifer, typical of riverbank alluvial deposits in Korea, was studied to determine the hydrologic properties. The geologic logging showed that the subsurface of the study site was comprised of four distinctive hydrogeologic units: silt, sand, highly weathered and fresh bedrock layers. The electrical resistivity survey supplied information on lateral extension of hydrogeologic strata only partially identified by a limited number of the geologic loggings. The laboratory column tracer test for the recovered core of the sand layer resulted in a hydraulic conductivity of 5.00×10−2 cm/s. The slug tests performed in the weathered rock layer yielded hydraulic conductivities of 4.32–7.72×10−4 cm/s. Hydraulic conductivities for the sand layer calculated from the breakthrough curves of bromide ranged between 2.08×10−3 and 2.44×10−2 cm/s with a geometric mean of 6.89×10−3 cm/s, which is 7 times smaller than that from the laboratory column experiment. The trend of increasing hydraulic conductivity with an increase in tracer travel length is likely a result of the increased likelihood of encountering a high conductivity zone as more of the aquifer is tested. The combined hydrogeologic site characterization using hydraulic tests, tracer tests, and column test with geologic loggings and geophysical survey greatly enhanced the understanding of the hydrologic properties of the multi-layered alluvial aquifer.  相似文献   

18.
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   

19.
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   

20.
The high-pressure behavior of a vanadinite (Pb10(VO4)6Cl2, a = b = 10.3254(5), = 7.3450(4) Å, space group P63/m), a natural microporous mineral, has been investigated using in-situ HP-synchrotron X-ray powder diffraction up to 7.67 GPa with a diamond anvil cell under hydrostatic conditions. No phase transition has been observed within the pressure range investigated. Axial and volume isothermal Equations of State (EoS) of vanadinite were determined. Fitting the PV data with a third-order Birch-Murnaghan (BM) EoS, using the data weighted by the uncertainties in P and V, we obtained: V 0 = 681(1) Å3, K 0 = 41(5) GPa, and K′ = 12.5(2.5). The evolution of the lattice constants with P shows a strong anisotropic compression pattern. The axial bulk moduli were calculated with a third-order “linearized” BM-EoS. The EoS parameters are: a 0 = 10.3302(2) Å, K 0(a) = 35(2) GPa and K′(a) = 10(1) for the a-axis; c 0 = 7.3520(3) Å, K 0(c) = 98(4) GPa, and K′(c) = 9(2) for the c-axis (K 0(a):K 0(c) = 1:2.80). Axial and volume Eulerian-finite strain (fe) at different normalized stress (Fe) were calculated. The weighted linear regression through the data points yields the following intercept values: Fe a (0) = 35(2) GPa for the a-axis, Fe c (0) = 98(4) GPa for the c-axis and Fe V (0) = 45(2) GPa for the unit-cell volume. The slope of the regression lines gives rise to K′ values of 10(1) for the a-axis, 9(2) for the c-axis and 11(1) for the unit cell-volume. A comparison between the HP-elastic response of vanadinite and the iso-structural apatite is carried out. The possible reasons of the elastic anisotropy are discussed.  相似文献   

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