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1.
There is a need for research that advances understanding of flow alterations in contemporary watersheds where natural and anthropogenic interactions can confound mitigation efforts. Event-based flow frequency, timing, magnitude, and rate of change were quantified at five-site nested gauging sites in a representative mixed-land-use watershed of the central USA. Statistically independent storms were paired by site (n = 111 × 5 sites) to test for significant differences in event-based rainfall and flow response variables (n = 17) between gauging sites. Increased frequency of small peak flow events (i.e., 64 more events less than 4.0 m3 s?1) was observed at the rural–urban interface of the watershed. Differences in flow response were apparent during drier periods when small rainfall events resulted in increased flow response at urban sites in the lower reaches. Relationships between rainfall and peak flow were stronger with decreased pasture/crop land use and increased urban land use by approximately 20%. Event-based total rainfall explained 40–68% of the variance in peak flow (p < 0.001). Coefficients of determination (r2) were negatively correlated with pasture/crop land use (r2 = 0.92; p = 0.007; n = 5) and positively correlated with urban land use (r2 = 0.90; p = 0.008; n = 5). Significant differences in flow metrics were observed between rural and urban sites (p < 0.05; n = 111) that were not explained by differences in rainfall variables and drainage area. An urban influence on flow timing was observed using median time lag to peak centroid and time of maximum precipitation to peak flow. Results highlight the need to establish manageable flow targets in rapidly urbanizing mixed-land-use watersheds.  相似文献   

2.
The present study investigated the prevalence of pathogenic organisms (Salmonella spp, Vibrio cholerae, and Shigella spp) and their correlation to the abundance of faecal indicator organisms in water and riverbed sediments in the Apies River, South Africa. In all, 558 water and sediment samples were collected from 10 sites in the river (May 2013–February 2014) and analysed through culture and molecular (real-time PCR) techniques. Concentrations of faecal indicator organisms in sediments reached 1.39 × 105 (±standard deviation) CFU/100 mL. All three pathogens were detected in water and sediments. Pathogens were mostly detected in sediments at sites influenced either by wastewater treatment works or by informal settlements. During the wet and dry seasons (water column), a strong positive correlation was observed between E. coli and all pathogens; C. perfringens only correlated with V. cholerae. Within sediments, strong positive correlations were only observed between E. coli and Salmonella spp, E. coli and V. cholerae (dry season); E. coli and V. cholerae and E. coli and Shigella spp (wet season). No correlation was observed between sediments C. perfringens counts and all the pathogens. Thus, sediments of the Apies River harbour pathogenic organisms. Correlation between E. coli and pathogenic organisms in the sediments suggests that E. coli could also be an indicator of pathogens’ presence. However, the lack of a correlation between E. coli and some pathogens in sediments and between C. perfringens and all the pathogens highlights the need to investigate for more indicators of pathogens’ presence in this complex matrix.  相似文献   

3.
Pathogen removal is essential for wastewater treatment and its potential reuse in agriculture. Three field-scale wastewater treatment systems consisting of free surface flow were operated around 1.5 years receiving water from urban domestic, rural domestic and industrial sources. The study was conducted to evaluate seasonal performance of constructed wetland systems in removing Escherichia coli, Enterococci and total coliforms under continuous hydraulic flow. Results displayed that all three wetlands gain recognition in removing pathogen load with high removal efficacy till water reaches output ports. Removal efficiencies were even higher, 66–93, 78–92 and 80–94% for E. coli, Enterococci and total coliforms, respectively, within constructed wetlands. Remarkably at shorter temporal scales in CW-A, greater homogeneity of pathogen concentrations was assessed at wetland outlet sites. In outlet ports, results displayed a highly effective removal of E. coli concentration 80–90% (June 2015), 86–92% (October 2015) and 79–92% (February 2016), Enterococci 80–94% (June 2015), 83–94% (October 2015) and 80–94% (February 2016) and total coliforms 85–93% (June 2015), 87–95% (October 2015) and 88–96% (February 2016). Positive correlation was observed between bacterial indicators (E. coli–Enterococci, r = 0.038; p < 0.01 and E. coli–total coliforms, r = 0.142; p < 0.01). Removal of bacterial indicators in constructed wetland was also displayed by PCA in which three-component analysis of variance was 98.39% and showed a clear decrease in measured parameter gradients toward samples from outlet ports. Constructed wetlands provide cost-effective treatment systems for reducing the pathogen load in wastewater in variable agro-climatic conditions and thus improve water quality.  相似文献   

4.
Antibiotic-resistant (pathogenic and non-pathogenic) organisms and genes are now acknowledged as significant emerging aquatic contaminants with potentially adverse human and ecological health impacts, and thus require monitoring. This study is the first to investigate levels of resistance among Irish groundwater (private wells) samples; Escherichia coli isolates were examined against a panel of commonly prescribed human and veterinary therapeutic antibiotics, followed by determination of the causative factors of resistance. Overall, 42 confirmed E. coli isolates were recovered from a groundwater-sampling cohort. Resistance to the human panel of antibiotics was moderate; nine (21.4%) E. coli isolates demonstrated resistance to one or more human antibiotics. Conversely, extremely high levels of resistance to veterinary antibiotics were found, with all isolates presenting resistance to one or more veterinary antibiotics. Particularly high levels of resistance (93%) were found with respect to the aminoglycoside class of antibiotics. Results of statistical analysis indicate a significant association between the presence of human (multiple) antibiotic resistance (p?=?0.002–0.011) and both septic tank density and the presence of vulnerable sub-populations (<5 years). For the veterinary antibiotics, results point to a significant relationship (p?=?<0.001) between livestock (cattle) density and the prevalence of multiple antibiotic resistant E. coli. Groundwater continues to be an important resource in Ireland, particularly in rural areas; thus, results of this preliminary study offer a valuable insight into the prevalence of antibiotic resistance in the hydrogeological environment and establish a need for further research with a larger geological diversity.  相似文献   

5.
Novel bionanocomposites, S. cerevisiae–AgNPs, were synthesized by in situ formation of AgNPs on S. cerevisiae surface using fulvic acids as reductants under simulated sunlight. S. cerevisiae–AgNPs were characterized using UV–Vis spectroscopy, scanning electron microscope, transmission electron microscope and Fourier transform infrared spectroscopy. These analyses showed that AgNPs were distributed on the surface of S. cerevisiae. The application of S. cerevisiae–AgNPs in bacteria killing and heavy metal removal was studied. S. cerevisiae–AgNPs effectively inhibited the growth of E. coli with increasing concentrations of S. cerevisiae–AgNPs. E. coli was killed completely at high concentration S. cerevisiae–AgNPs (e.g., 100 or 200 µg mL?1). S. cerevisiae–AgNPs as excellent heavy metal absorbents also have been studied. Using Cd2+ as model heavy metal, batch experiments confirmed that the adsorption behavior fitted the Langmuir adsorption isotherms and the Cd2+ adsorption capacity of S. cerevisiae–AgNPs was 15.01 mg g?1. According to adsorption data, the kinetics of Cd2+ uptake by S. cerevisiae–AgNPs followed pseudo second-order kinetic model. Moreover, S. cerevisiae–AgNPs possessed ability of different heavy metals’ removal (e.g., Cr5+, As5+, Pb2+, Cu2+, Mn2+, Zn2+, Hg2+, Ni2+). The simulated contaminated water containing E. coli, Cd2+ and Pb2+ was treated using S. cerevisiae–AgNPs. The results indicated that the bionanocomposites can be used to develop antibacterial agents and bioremediation agents for water treatment.  相似文献   

6.
Stable isotope data of precipitation (δ18Op and deuterium excess), drip water (δ18Od), and modern calcite precipitates (δ18Oc and δ13Cc) from Yongxing Cave, central China, are presented, with monthly sampling intervals from June 2013 to September 2016. Moderate correlations between the monthly variation of δ18Op values (from ??11.5 to ??0.7‰) and precipitation amount (r = ??0.59, n?=?34, p?<?0.01) and deuterium excess (r?=?0.39, n?=?31, p?<?0.01) imply a combined effect of changes in precipitation amount and atmospheric circulation. At five drip sites, the δ18Od values have a much smaller variability (from ??9.1 to ??7.5‰), without seasonal signals, probably a consequence of the mixing in the karst reservoir with a deep aquifer. The mean δ18Od value (??8.4‰) for all drip waters is significantly more negative than the mean δ18Op value (??6.9‰) weighted by precipitation amount, but close to the wet season (May to September) mean value (??8.3‰), suggesting that a threshold of precipitation amount must be exceeded to provide recharge. Calculation based on the equilibrium fractionation factor indicates that the δ18Oc values are not in isotopic equilibrium with their corresponding drip waters, with a range of disequilibrium effects from 0.4 to 1.4‰. The δ18Oc and δ13Cc values generally increase progressively away from the locus of precipitation on glass plates. The disequilibrium effects in the cave are likely caused by progressive calcite precipitation and CO2 degassing related to a high gradient of CO2 concentration between drip waters and cave air. Our study provides an important reference to interpret δ18Oc records from the monsoon region of China.  相似文献   

7.
To evaluate the impact of invading seagrass on biogeochemical processes associated with sulfur cycles, we investigated the geochemical properties and sulfate reduction rates (SRRs) in sediments inhabited by invasive warm affinity Halophila nipponica and indigenous cold affinity Zostera marina. A more positive relationship between SRR and below-ground biomass (BGB) was observed at the H. nipponica bed (SRR = 0.6809 × BGB ? 4.3162, r 2 = 0.9878, p = 0.0006) than at the Z. marina bed (SRR = 0.3470 × BGB ? 4.0341, r 2 = 0.7082, p = 0.0357). These results suggested that SR was more stimulated by the dissolved organic carbon (DOC) exuded from the roots of H. nipponica than by the DOC released from the roots of Z. marina. Despite the enhanced SR in spring-summer, the relatively lower proportion (average, 20%) of acid-volatile sulfur (AVS) in total reduced sulfur and the strong correlation between total oxalate-extractable Fe (Fe(oxal)) and chromium-reducible sulfur (CRS = 0.2321 × total Fe(oxal) + 1.8180, r 2 = 0.3344, p = 0.0076) in the sediments suggested the rapid re-oxidation of sulfide and precipitation of sulfide with Fe. The turnover rate of the AVS at the H. nipponica bed (0.13 day?1) was 2.5 times lower than that at the Z. marina bed (0.33 day?1). Together with lower AVS turnover, the stronger correlation of SRR to BGB in the H. nipponica bed suggests that the extension of H. nipponica resulting from the warming of seawater might provoke more sulfide accumulation in coastal sediments.  相似文献   

8.
The present study fills a gap in the knowledge in regards to the occurrence of banned pesticides at both coastal and inland locations at the Southwest Buenos Aires region, Argentina. Superficial sediment and soil samples were collected from different sites along the Bahia Blanca Estuary and surrounding sites to assess the concentration levels and spatial distribution of 12 selected organochlorine pesticides (OCs); 13 spatial locations including inland and shore-coast were sampled to evaluate occurrence and concentration levels of hexachlorocyclohexanes α-HCH, β-HCH, δ-HCH, γ-HCH, dichlorodiphenyltrichloroethane and its degradation products (DDXs: p,p′-DDT, o,p′-DDT, p,p′-DDE, o,p′-DDE, p,p′-DDD, o,p′-DDD) and the polychlorobenzenes PeCB (pentachlorobenzene) and HCB (hexachlorobenzene). After cleaning and extractions steps, samples were analyzed by means of gas chromatography/mass spectrometry. ∑OCs (sum of all studied compounds) ranged between 0.206 and 1040 ng g?1 dw (mean?=?82.4 and SD?=?277 ng g?1 dw). Total HCHs (sum of α-HCH, β-HCH, γ-HCH and δ-HCH) ranged from 0.0858 to 0.876 ng g?1 dw (mean?=?0.43 and SD?=?0.23 ng g?1 dw), DDXs (sum of p,p′and o,p′ isomers) from 0.080 to 1040 ng g?1 dw (mean?=?81.3 and SD?=?277 ng g?1 dw). Lower concentrations were found for PeCB (mean?=?0.095 and SD 0.17 ng g?1 dw) and HCB (mean?=?0.56 and SD 1.7 ng g?1 dw). Principal component analysis (PCA) permitted the extraction of underlying information about common factors, providing an overview of the distribution of pesticides and allowing the characterization of sites in regards to the major pesticide signature.  相似文献   

9.
Fine sediment inputs can alter estuarine ecosystem structure and function. However, natural variations in the processes that regulate sediment transport make it difficult to predict their fate. In this study, sediments were sampled at different times (2011–2012) from 45 points across intertidal sandflat transects in three New Zealand estuaries (Whitford, Whangamata, and Kawhia) encompassing a wide range in mud (≤63 μm) content (0–56 %) and macrofaunal community structure. Using a core-based erosion measurement device (EROMES), we calculated three distinct measures of sediment erosion potential: erosion threshold (? c ; N m?2), erosion rate (ER; g m?2 s?1), and change in erosion rate with increasing bed shear stress (m e ; g N?1 s?1). Collectively, these measures characterized surface (? c and ER) and sub-surface (m e ) erosion. Benthic macrofauna were grouped by functional traits (size and motility) and data pooled across estuaries to determine relationships between abiotic (mud content, mean grain size) and biotic (benthic macrofauna, microbial biomass) variables and erosion measures. Results indicated that small bioturbating macrofauna (predominantly freely motile species <5 mm in size) destabilized surface sediments, explaining 23 % of the variation in ? c (p ≤ 0.01) and 59 % of the variation in ER (p ≤ 0.01). Alternatively, mud content and mean grain size cumulatively explained 61 % of the variation in m e (p ≤ 0.01), where increasing mud and grain size stabilized sub-surface sediments. These results highlight that the importance of biotic and abiotic predictors vary with erosion stage and that functional group classifications are a useful way to determine the impact of benthic macrofauna on sediment erodibility across communities with different species composition.  相似文献   

10.
The study of low-cost techniques for the tertiary treatment of wastewater is of global interest; above all low-energy techniques that do not require the use of chemicals. In this study, a wastewater treatment technology based on the filtration by a zooplanktonic population (Daphnia magna) is studied in controlled laboratory and mesocosm experiments for different hydraulic retention times (HRT). The efficiency of the treatment is evaluated in terms of particle removal efficiency. From laboratory experiments, HRT over 12 h and Daphnia concentrations above 50 individuals l?1 guarantee a particle removal efficiency greater than 30 %. However, low HRT of 6 h would require Daphnia concentrations above 70 individuals l?1 in order to obtain a particle removal efficiency of 20 %. The minimum removal efficiency of 2 % was for HRT = 3 h, independent of the Daphnia concentration. In the mesocosm, the growth of Daphnia individuals enhanced Daphnia magna filtering rates and higher removal efficiencies than those in the laboratory for the same HRT range. In the mesocosm experiments E. coli concentrations were reduced to a maximum of 2 logarithmic units. A balance equation model is proposed to predict particle removal efficiencies for varying HRT.  相似文献   

11.
New bio-adsorbent carbon materials were synthesized from the leaves and veins of Mucuna pruriens and Manihot esculenta plants, which are locally available in abundance. The synthesized carbons were activated using 0.01N HNO3. Surface area of the activated carbons from M. pruriens and M. esculenta plants was found to be quite high, i.e., 918 and 865 m2/g, respectively. Scanning electron microscopy analysis of the carbons reflects complex disorganized surface structures of different open pore sizes, shapes and dimensions. These properties of the newly synthesized activated carbons led to the development of a sand-supported carbon column, for its possible use in the removal of coliform bacteria and Escherichia coli (E. Coli) from raw water samples. The removal percentage of E. coli was found to be 100% with both the types of carbon adsorbents, as confirmed from the McCardy most probable number table. Similarly, the removal percentage of coliform bacteria was found to be 99 and 98.7% by M. pruriens and M. esculenta carbon columns, respectively. These activated carbons synthesized from locally available plants possess the characteristics of good low-cost adsorbents which can be easily used for the removal of bacteria from water by adsorption method.  相似文献   

12.
To assess the ecotoxicological and sanitary situation in two European metropolis, Rostov-on-Don (Southern Russia) and Munich (Southern Germany), wastewaters of the two cities were examined with a panel of bacterial lux-biosensors: Vibrio aquamarinus VKPM B-11245, Escherichia coli MG1655 (pXen7), E. coli MG1655 (pRecA-lux), E. coli MG1655 (pSoxS-lux), E. coli MG1655 (pKatG-lux), E. coli MG1655 (pIbpA-lux), E. coli MG1655 (GrpE-lux), E. coli MG1655 (pFabA-lux). The presence of different genotoxic compounds and substances with the oxidative and membrane-damaging effects was revealed in contaminated wastewater with the applied panel of the lux-biosensors. The integral toxicity was approximately the same in both cities but demonstrated opposite trends. The presence of genotoxicants and peroxides was higher in the majority of the Munich wastewater samples. There were also differences in the presence of individual toxicants. The presence of the genotoxic compounds might also promote development and dissemination of several antibiotic resistance traits found in microorganisms, a feature more pronounced in Rostov-on-Don wastewaters. By means of polymerase chain reaction assay, antibiotic resistance genes to such antibiotics as ermB, vim and vanB were revealed in two Munich samples. Antibiotic resistance genes were present at all Rostov samples, and genes ndm, vanA, vanB and ermB were found. Taken together, the proposed analytical approach with the application of the constructed panel of biosensors can be applied for monitoring of the ecotoxicological contamination in the wastewaters of large cities.  相似文献   

13.
The use of agricultural wastes as biosorbents is gaining importance in bioremediation of heavy metal-polluted water and soils, due to their effectiveness and low cost. This work assesses the Cd, Pb and Cu adsorption capacity of the raw materials used in the production of substrates for mushroom production (Agaricus bisporus and Pleurotus ostreatus) and the spent mushroom composted (SMC), based on the functional groups of their organic carbon. The raw materials studied included agricultural wastes (wheat straw, wheat and rice poultry litter, grape pomace) and inorganic substances (gypsum and calcareous sand). Organic carbon from wastes and their composting products were characterized by CP-MAS 13C NMR. Langmuir adsorption isotherms of metals were plotted for each raw material, composting step, spent A. bisporus and P. ostreatus substrates and the final SMC. The maximum adsorption capacities of SMC were 40.43, 15.16 and 36.2 mg g?1 for Cd, Pb and Cu, respectively. The composting process modified the adsorption properties of raw materials because of the enhanced adsorption of Cd and Cu and decreased adsorption capacity of Pb. CP-MAS 13C NMR and potentiometric titration were used to identify the functional groups of the organic carbon responsible for the metal adsorption. The content of cellulose was correlated with Pb adsorption (p < 0.001), alkyl and carboxyl carbon with Cd adsorption (p < 0.001), and N-alkyl (p < 0.001) and carboxyl (p < 0.010) groups with Cu adsorption. These results are valuable to develop new biosorbents based on agricultural wastes and demonstrate the high potential of SMC to adsorb heavy metals from polluted environments.  相似文献   

14.
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15.
The aim of this study was to assess the antimicrobial resistance and the prevalence of genes determining the presence of extended-spectrum beta-lactamase (ESBL) enzymes in Escherichia coli isolated from two major rivers of the Podhale region in southern Poland. In total, 196 E. coli isolates were analyzed—98 from each river—Bia?ka and Zakopianka, collected in 8 campaigns, over the period of two years. Antimicrobial resistance was assessed using disk diffusion method and PCR tests were conducted to detect the ESBL genes. In E. coli isolated from Bia?ka, the resistance to amoxicillin/clavulanic acid was detected most frequently (54.08%) and ESBL was detected in 14.29% of strains. In strains isolated from Zakopianka, most frequent resistance was observed toward ticarcillin (51.02%), while ESBL was observed in 16.33% of isolates. In the total pool of isolates, the resistance to amoxicillin/clavulanic acid was most frequent (48.98% of isolates) and ESBL producers comprised 15.30% of E. coli isolates derived from both rivers. Multidrug resistance was observed less frequently in strains derived from Bia?ka (4 isolates resistant to 10 and more antimicrobials) than from Zakopianka, where 10 isolates were resistant to 10 and more antibiotics. Out of the tested ESBL genes blaTEM was detected most frequently (45.4% of isolates), whereas blaCTX-M1 and blaCTX-M3 were recorded in one isolate.  相似文献   

16.
There is currently limited research available on the secondary metabolites of moulds in workplaces. The aim of this study was to determine the mould contamination in museums (N = 4), composting plants (N = 4) and tanneries (N = 4) and the secondary metabolite profiles of Alternaria, Aspergillus and Penicillium isolates from these workplaces. Alternaria, Aspergillus and Penicillium species were identified using the ITS1/2 sequence of the rDNA region. Mould metabolites were quantitatively analysed on standard laboratory medium and mineral medium containing materials specific to each workplace using liquid chromatography-mass spectrometry. We also examined the cytotoxicity of the moulds using MTT (3-(4,5-dimethylthiazolyl-2)-2,5-diphenyltetrazolium bromide) assays. Air microbiological contamination analyses showed a number of microorganisms, ranging from 2.4 × 103 CFU m?3 (composting plants) to 6.8 × 104 CFU m?3 (tanneries). We identified high percentages of Alternaria, Aspergillus and Penicillium moulds (air 57–59%, surfaces 10–65%) in all workplaces. The following moulds were the most cytotoxic (>90%): Alternaria alternata, A. limoniasperae, Aspergillus flavus, Penicillium biourgeianum, P. commune and P. spinulosum. The same mould species isolated from different working environments exhibited varying toxigenic and cytotoxic properties. Modifying the culture medium to simulate environmental conditions most often resulted in the inhibition of secondary metabolite production. Moulds isolated from the working environments produced the following mycotoxins (ng g?1): chanoclavines (0.28–204), cyclopiazonic acid (27.1–1045), fumigaclavines (0.33–10,640,000), meleagrin (0.57–13,393), roquefortins (0.01–16,660), rugulovasines (112–220), viridicatin (0.12–957), viridicatol (4.23–2753) and quinocitrinines (0.07–1104), which may have a negative impact on human health.  相似文献   

17.
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   

18.
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 K′0,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, K′0,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   

19.
The elastic and structural behaviour of the synthetic zeolite CsAlSi5O12 (a = 16.753(4), b = 13.797(3) and c = 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 P ≤ 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   

20.
The β-factors of corundum were estimated on the basis of DFT calculations of vibrational frequency changes due to 16O–18O isotope substitution in a harmonic approximation using an all-electron Gaussian-type basis set and the B3LYP hybrid functional (the CRYSTAL program). Calculations were performed accounting for eight phonon wave vectors within the first Brillouin zone. The results are approximated by the relation 1000ln β crn = 9.19874x–0.12326x 2 + 0.00213x 3 (x = 106/T(K)2, 400 < T(K) < 1300), which can be used in isotope geochemical studies in combination with the known temperature effects on the β-factors of other phases.  相似文献   

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