Density functional studies of the structural characteristics, Al NMR chemical shifts and water-exchange reactions of Al₃₀O₈(OH)₅₆(H₂O)₂₆(Al₃₀) in aqueous solution     

Zhaosheng Qian  Hui Feng  Wenjing Yang  Yingjie Wang 《Geochimica et cosmochimica acta》2010,74(4):1230-1032

In this paper, the structure of the Al₃₀O₈(OH)₅₆(H₂O)₂₆¹⁸⁺(Al₃₀) polyoxocation in aqueous solution is investigated, including an exploration of its water-exchange reaction using a supramolecular model. Thirty-one solvent water molecules were explicitly included in the supramolecular model to approximate the influence of the solvent. The calculated results indicated that both the gas-phase and the supramolecular models could correctly reproduce the structure of the Al₃₀ polyoxocation, but the supramolecular model described the structure more accurately. Using the supramolecular model, we calculated the ²⁷Al NMR chemical shifts of various aluminum atoms using HF and GIAO methods, and they compared well to the chemical shifts determined experimentally. The water-exchange reaction of the Al₃₀ polyoxocation could not be simulated with the gas phase model because of a proton-transfer reaction that is induced by the highly positive charge of the Al₃₀ polyoxocation. However, the inclusion of an explicit second solvation sphere lowered the acidity of the coordinated water molecules and allowed simulation of the water exchange reaction.  相似文献   

西北地区晚第四纪沉积地层一元正脂肪酸酰胺分布特征及古气候意义     

蒲阳  张虎才  雷国良  常凤琴  杨明生  庞有智 《地球科学进展》2010,25(5):533-542

利用气相色谱质谱联用仪在中国西北地区晚第四纪沉积地层中检测出一类特殊的类脂物分子--一元正脂肪酸酰胺.根据其碳数分布特征及前人的研究成果,认为一元正脂肪酸酰胺来源于各种生物体,产生于生物的某些生理活动过程,而不是来源于石油残余物及各种可能的污染.通过对比3个不同区域相近时期古湖相及黄土沉积地层中的脂肪酸酰胺分布特征,认为柴达木盆地可能不是黄土沉积的主要物源区,而额济纳盆地及邻近区域对黄土堆积有着重要的贡献或具有相同的物源.典型黄土沉积地层中UFAA值(不饱和与饱和脂肪酸酰胺相对含量的比值)与粒度、磁化率等指标具有很好的可对比性,特别是在相对暖湿阶段UFAA值呈现了明显的低值.这一现象表明脂肪酸酰胺在沉积地层中的变化受控于气候变化所导致的成岩作用强度的变化,从而记录了气候变化信息.通过研究,认为生物生理活动过程中所产生的一元正脂肪酸酰胺与构成细胞膜的类脂物分子一样,可记录古气候变化.  相似文献   

Investigation of the sulfur speciation during chalcopyrite leaching by moderate thermophile Sulfobacillus thermosulfidooxidans     

Jin-lan Xia  Yi Yang  Huan He  Chang-li Liang  Xiao-juan Zhao  Lei Zheng  Chen-yan Ma  Yi-dong Zhao  Zhen-yuan Nie  Guan-zhou Qiu 《International Journal of Mineral Processing》2010,94(1-2):52-57

The surface sulfur speciation of chalcopyrite leached by moderately thermophilic Sulfobacillus thermosulfidooxidans was investigated by employing scanning electron microscopy (SEM), X-ray diffraction (XRD) and sulfur K-edge X-ray absorption near edge structure spectroscopy (XANES), accompanying with the leaching behavior elucidation. Leaching experiment showed that there was an optimum range of the redox potential for chalcopyrite dissolution. Leaching products were found accumulating during the leaching process, which might be jarosite according to the XRD analysis. The sulfur K-edge spectra indicated that chalcocite might be the intermediate sulfur compound under a critical redox potential, which might explain the existence of optimum range of the redox potential and provide an evidence for the two-step leaching model of chalcopyrite at low Eh. In addition, the results of sulfur K-edge spectra showed jarosite would accumulate on mineral surface, which might be the main component of the passivation layer.  相似文献   

模拟CO_2埋藏的煤储层元素迁移实验研究     

刘长江  桑树勋  G.X.Wang  Sue Golding 《中国煤炭地质》2010,(1):20-23,26

采用高压超临界CO2地球化学反应器对CO2在煤储层中的地质埋藏进行模拟,利用电感耦合等离子体发射光谱仪(ICP-OES)以及电感耦合等离子体质谱(ICP-MS)分别对淋滤液和煤样中的10种微量元素进行测试,对煤中微量元素在CO2的地质埋藏过程中的迁移进行了实验研究。结果表明:在CO2的地质埋藏过程中对煤的有机组成和无机矿物等均具有改造作用,从而影响到煤中微量元素的赋存和迁移特征,Cr、Zn、Cu等元素迁移能力相对较强,而Co、Ba、V等元素相对较弱;元素迁移能力大小顺序为:CrZnCuNiCdMnCoBaV。  相似文献   

Adsorption of antimony(V) on kaolinite as a function of pH,ionic strength and humic acid   总被引：1，自引：0，他引：1  

Jianhong Xi  Mengchang He  Chunye Lin 《Environmental Earth Sciences》2010,60(4):715-722

The present work investigated the adsorption and mobility (desorption) of Sb(V) on kaolinite using batch experiments. The adsorption of Sb(V) on kaolinite was studied as a function of contact time, pH, ionic strength, humic acid (HA), initial Sb(V) concentration and temperature. Kinetic studies suggest that the equilibrium is achieved within 24 h. The adsorption of Sb(V) was strongly affected by changes in I at low ionic strength and unaffected at high ionic strength. The adsorption is weakly dependent on the presence of humic acid, but is strongly dependent on pH. Within the range tested, the optimal pH for Sb(V) adsorption is 3.6, and close to 75% removal can be achieved. Desorption is dependent on the original suspension pH. The addition sequence of Sb(V)/HA do not influence the adsorption of Sb(V) on kaolinite. The adsorption data fit both the Freundlich and Langmuir isotherm. The thermodynamic parameters (ΔH ⁰, ΔS ⁰ and ΔG ⁰) were calculated from the temperature dependence, and the results suggest the endothermic and spontaneous nature of the process.  相似文献   

Multiple generation magmatic and hydrothermal processes in a Martian subvolcanic environment based on the analysis of Yamato-000593 nakhlite meteorite     

Ildiko Gyollai  Elias Chatzitheodoridis  Ákos Kereszturi  Máté Szabó 《Meteoritics & planetary science》2023,58(2):218-240

We studied the occurrence of secondary minerals and inferred their formation in the Yamato-000593 Martian meteorite using multiple technological approaches such as electron probe micro analysis, optical microscope, Raman spectroscopy, scanning electron microscopy, as well as Fourier transform-infrared microscopy and spectroscopy. Two separate hydrothermal alteration events and their sequence of formation (based on superpositional relationship) can be identified: an elevated temperature phase producing high-temperature sulfidic hydrothermal alteration and a lower temperature hydrothermal alteration phase by iron-rich fluids. This meteorite shows signatures more compatible with magmatic effects, rather than impact-induced hydrothermal alteration, as has been proposed earlier. The sulfidic alteration probably formed by magmatic hydrothermal fluids, whereas iron-rich hydrothermal fluid circulation after a possible early impact event has also been proposed, when the fluids cooled down to 50 °C. Most of the secondary minerals formed at alkaline-neutral conditions, and the few observed signatures (clay–silica-bearing veins, siderite-iron-oxide veins) of briny conditions are probably from local spatial effects in larger cavities. The ferrous minerals (hematite and siderite) along the fractures could be crystallized from Fe-HCO₃-bearing fluids. Alternatively, the primary magmatic minerals could have been oxidized easily (Fe-rich olivines, magnetite) during the cooling to iron oxides (hematite, goethite). The results suggest the possible existence of at least ephemerally habitable environments on Mars, mainly at volcanically heated locations. Following published geochemical models, the carbonates formed within acidic-circumneutral condition, which was followed by formation of phyllosilicates in alkaline condition.  相似文献   

九江市蓼花剖面末次冰期中晚期沉积的粒度端元特征与气候变化     

李世乾  李志文  周万蓬  杜丁丁  黎武标 《热带地理》2023,43(1):135-143

鄱阳湖湖滨地区广泛分布着晚第四纪风沙沉积序列。在星子县沙岭沙山进行野外调查后选择蓼花剖面开展工作,测试了地质时代和粒度,对粒度结果使用端元分析模型进行研究,探讨该区域末次冰期中晚期的气候变化规律。结果显示：该剖面由湖相-古土壤-沙丘砂等沉积相叠覆堆积组成,形成于末次冰期中晚期（48.8—17.1 ka）。端元分析模型将粒度数据分解出3个不同的粒度端元,不同端元组分在垂向上呈峰谷交替的旋回变化,EM1代表粉砂端元组分,峰值对应湖相和古土壤发育时期;EM2和EM3代表中砂—粗砂端元组分,峰值对应沙丘砂发育期,这些峰谷交替变化的规律指示了末次冰期的季风演变以及气候波动变化,万年尺度上表现为LH10 (48.8—39.9 ka)和LH3～LH5 (28.1—17.1 ka)的冬季风强盛期,分别对应深海氧同位素的MIS3b和MIS2阶段。LH6～LH9 (39.9—28.1 ka)为温暖的夏季风时期,对应深海氧同位素的MIS3a阶段。这些变化与YZ洞石笋氧同位素以及格陵兰冰心有良好的对应,与全球气候变化基本一致。  相似文献   

Distributions of Picophytoplankton and Phytoplankton Pigments Along a Salinity Gradient in the Changjiang River Estuary,China     

WANG Baoli  ;LIU Congqiang  ;WANG Fushun  ;LI Siliang  ;Sivaji Patra 《青岛海洋大学学报(英文版)》2014,(4):621-627

We investigated the abundance of different picophytoplankton groups and the phytoplankton pigment ratio in relation to environmental factors such as nutrients and suspended solids along a salinity gradient in the Changjiang River Estuary.The average numbers of Synechococcus spp.（Syn） and picoeukaryotes （Euk） were （2.7 ±5.1）×l03 and （1.1±1.4）×l03 cells mL-1,respectively.Prochlorococcus spp.（Pro） was only found in the high-salinity brackish water with the concentration of 3.0× 10^3 cells mL-1.Syn and Euk numbers both tended to increase offshore and Syn showed a larger variation in cell abundance than Euk.The contribution of picophytoplankton to total phytoplankton biomass increased with increasing salinity and decreasing nutrient concentrations from the estuary to the open ocean.The response of different picophytoplankton groups to environmental variables was different.Water temperature was more important in its control over Euk than over Syn,while nutrients were more important in their influence over Syn than over Euk.Phytoplankton pigment ratios were different in the three different ecological zones along the salinity gradient （i.e.,freshwater zone with 0-5 range,fresh and saline water mixing zone with 5-20 range,and high-salinity brackish water zone with 20-32 range）,where three different phytoplankton communities were discovered,suggesting that phytoplankton pigment ratios can be considered as a complementary indicator of phytoplankton community structure in the Changjiang River Estuary.  相似文献   

Quantitative characterization of connectivity and conductivity of sandstone carriers during secondary petroleum migration,applied to the Third Member of Eocene Shahejie Formation,Dongying Depression,Eastern China     

《Marine and Petroleum Geology》2014

Studies on migration pathways remain qualitative, albeit extensive quantification of migration forcing. In this study, hydrocarbon carriers are defined as carrier units and their corresponding carrier beds for the Third Member of Eocene Shahejie Formation in the Dongying Depression, Bohai Bay Basin, eastern China, on the basis of their lithofacies and physical properties, spatial relationships, and data availability; secondary migration conduits are then quantified. A carrier unit is defined as a stratigraphic unit that contains microscopically porous and permeable carrier beds and is covered by regional seals. The carrier beds are macroscopically and physically connected to each other within a carrier unit and are hydrodynamically connected during secondary migration. A method of quantifying sandstone carrier units using common physical properties is developed. First, a carrier unit containing potential carrier beds is identified on the basis of lithofacies and their lateral changes. Second, physical connectivity of sandstone carrier beds is assessed on the basis of percolation theory. Third, the hydrodynamic connectivity of a sandstone carrier unit is analyzed using effective parameters that may reflect the hydraulic circulation in the carrier unit. Last, the conductivity of a sandstone carrier bed is quantitatively characterized using appropriate physical property parameters. The results for sandstone carrier units in the Third Member of the Shahejie Formation are used in numerical models addressing Pleistocene secondary migration. The model results explain the discovered accumulation and hydrocarbon shows well; and the model predictions on exploration targets have been confirmed by drilling.  相似文献   

An overview of marine fisheries management in China     

《Marine Policy》2014

China is the world's largest country in terms of fish production, yet its fisheries management is comparatively unknown outside the country. This article gives an overview of the current management system and highlights some of its challenges. In the past 30 years, the Department of Fishery Administration has formulated and organized a series of conservation and management regimes and measures. The most important tools are minimum mesh size regulation and a range of input control measures, including seasonal closures and attempts to control fishing capacity through licensing and limiting total engine power. However, fisheries output is only controlled through a nation-wide total catch limit. Certain progress has been achieved, but there are still problems as the resource situation is poor. While the existing measures could, in principle, improve sustainability, their enforcement is insufficient, and they do not limit fishing effort in a way that would allow recovery.  相似文献