Cs and Cl NMR spectroscopy and molecular dynamics modeling of Cs and Cl complexation with natural organic matter     

Xiang Xu 《Geochimica et cosmochimica acta》2006,70(17):4319-4331

Interaction of dissolved aqueous species with natural organic matter (NOM) is thought to be important in sequestering some species and enhancing the transport of others, but little is known about these interactions on a molecular scale. This paper describes a combined experimental ¹³³Cs and ³⁵Cl nuclear magnetic resonance (NMR) and computational molecular dynamics (MD) modeling study of the interaction of Cs⁺ and Cl⁻ with Suwannee River NOM. The results provide a detailed picture of the molecular-scale structure and dynamics of these interactions. Individual NOM molecules are typically hundreds to thousands of Daltons in weight, and on the molecular scale their interaction with small dissolved species can be investigated in ways similar to those used to study the interaction of dissolved aqueous species with mineral surfaces. As for such surface interactions, understanding both the structural environments and the dynamics over a wide range of frequencies is essential. The NMR results show that Cs⁺ is associated with NOM at pH values from 3.4 ± 0.5 (unbuffered Suwannee River NOM solution) to 9.0 ± 0.5. The extent of interaction increases with decreasing CsCl concentration at constant pH. It also decreases with increasing pH at constant CsCl concentration due to pH-dependent negative structural charge development on the NOM caused by progressive deprotonation of carboxylic and phenolic groups. The presence of NOM has little effect on the ¹³³Cs chemical shifts, demonstrating that its local coordination environment does not change significantly due to interaction with the NOM. Narrow, solution-like line widths indicate rapid exchange of Cs⁺ between the NOM and bulk solution at frequencies of >10² Hz. The MD simulations support these results and show that Cs⁺ is associated with the NOM principally as outer sphere complexes and that this interaction does not reduce the Cs⁺ diffusion coefficient sufficiently to cause NMR line broadening. The ³⁵Cl NMR data and the MD results are consistent in demonstrating that there is no significant complexation between Cl⁻ and NOM in the pH range investigated, consistent with negative structural charge on the NOM.  相似文献   

Correction of error in printing     

Tang Youjun  Wen Zhigang  Dou Lirong  Xu Youde 《中国地球化学学报》2006,25(3):237-237

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Petrogenesis of Cretaceous adakitic and shoshonitic igneous rocks in the Luzong area, Anhui Province (eastern China): Implications for geodynamics and Cu–Au mineralization     

Qiang Wang  Derek A. Wyman  Ji-Feng Xu  Zhen-Hua Zhao  Ping Jian  Xiao-Lin Xiong  Zhi-Wei Bao  Chao-Feng Li  Zheng-Hua Bai 《Lithos》2006,89(3-4):424-446

Both adakitic and shoshonitic igneous rocks in the Luzong area, Anhui Province, eastern China are associated with Cretaceous Cu–Au mineralization. The Shaxi quartz diorite porphyrites exhibit adakite-like geochemical features, such as light rare earth element (LREE) enrichment, heavy REE (HREE) depletion, high Al₂O₃, MgO, Sr, Sr / Y and La / Yb values, and low Y and Yb contents. They have low ε_Nd(t) values (− 3.46 to − 6.28) and high (⁸⁷Sr / ⁸⁶Sr)_i ratios (0.7051–0.7057). Sensitive High-Resolution Ion Microprobe (SHRIMP) zircon analyses indicate a crystallization age of 136 ± 3 Ma for the adakitic rocks. Most volcanic rocks and the majority of monzonites and syenites in the Luzong area are K-rich (or shoshonitic) and were also produced during the Cretaceous (140–125 Ma). They are enriched in LREE and large-ion lithophile elements, and depleted in Ti, and Nb and Ba and exhibit relatively lower ε_Nd(t) values ranging from − 4.65 to − 7.03 and relatively higher (⁸⁷Sr / ⁸⁶Sr)_i ratios varying between 0.7057 and 0.7062. The shoshonitic and adakitic rocks in the Luzong area have similar Pb isotopic compositions (²⁰⁶Pb / ²⁰⁴Pb = 17.90–18.83, ²⁰⁷Pb / ²⁰⁴Pb = 15.45–15.62 and ²⁰⁸Pb / ²⁰⁴Pb = 38.07–38.80). Geological data from the Luzong area suggest that the Cretaceous igneous rocks are distributed along NE fault zones (e.g., Tanlu and Yangtze River fault zones) in eastern China and were likely formed in an extensional setting within the Yangtze Block. The Shaxi adakitic rocks were probably derived by the partial melting of delaminated lower crust at pressures equivalent to crustal thickness of > 50 km (i.e., 1.5 GPa), possibly leaving rutile-bearing eclogitic residue. The shoshonitic magmas, in contrast, originated mainly from an enriched mantle metasomatized by subducted oceanic sediments. They underwent early high-pressure (> 1.5 GPa) fractional crystallization at the boundary between thickened (> 50 km) lower crust and lithospheric mantle and late low-pressure (< 1.5 GPa) fractional crystallization in the shallow (< 50 km) crust. The adakitic and shoshonitic rocks appear to be linked to an intra-continental extensional setting where partial melting of enriched mantle and delaminated lower crust was probably controlled by lithospheric thinning and upwelling of hot asthenosphere along NE fault zones (e.g., Tanlu and Yangtze River fault zones) in eastern China. Both the shoshonitic and adakitic magmas were fertile with respect to Cu–Au mineralization.  相似文献   

Water–rock interaction during the process of steam stimulation exploitation of viscous crude oil in Liaohe Shuguang Oil Field, Liaoning, China     

Qian Hui  Yang Zhenghua  Li Yunfeng  Xu Wancai  Sun Yaqiao 《Environmental Geology》2006,50(2):229-236

In the process of steam stimulation exploitation of viscous crude oil, the injected water, at high temperature and under high pressure, reacts intensively with the host rock. This kind of water–rock interaction in Liaohe Shuguang Oil Field was studied on the basis of analysis of water composition changes, laboratory experiments, mineral saturation indices analysis, and mass balance calculation. Compared with the injected water, the changes of the composition of discharged water are mainly the distinct decrease of pH, Na⁺, SiO₂ and Cl⁻, as well as the increase of K⁺, Ca²⁺, Mg²⁺, SO ₄ ²⁻ and HCO ₃ ⁻ . Laboratory experiments under field conditions showed: the dissolution sequence of minerals quantitatively is quartz>potassium feldspar>albite, and the main change of clay minerals is the conversion of kaolinite to analcime. Mass balance calculation indicated during the process of steam stimulation, large quantities of analcime are precipitated with the dissolution of large amounts of quartz, kaolinite, potassium feldspar, and CO₂. These results correlated very well with the experimental results. The calculated results of Liaohe Shuguang Oil Field showed that during the steam stimulation for viscous crude oil, the amounts of minerals dissolved (precipitated) are huge. To control the clogging of pore spaces of oil reservoirs, increased study of water–rock interaction is needed.  相似文献   

A Connectivity Index for Discrete Fracture Networks     

C. Xu  P. A. Dowd  K. V. Mardia  R. J. Fowell 《Mathematical Geology》2006,38(5):611-634

Connectivity is an important measure for assessing flow transport in rock, especially through fractures. In this paper, rock fracture systems are modelled by a discrete fracture model simulated by a marked point process. A connectivity index is then introduced to quantify the connectivity between any two points in space. Monte Carlo simulation is used to evaluate the connectivity index for stationary cases and relationships between the connectivity index and the parameters of the discrete fracture model are analysed. The average number of intersections per fracture, X_f, and the fracture intensity, P12 (P32), are calculated and the relationships between these parameters and the connectivity index are investigated, concluding that X_f is the more suitable parameter for the classification of rock mass flow properties. The relationships between the connectivity index and the percolation state of the fractured medium are also discussed. An edge correction is briefly discussed and a practical example is used to demonstrate the method of computing the connectivity index.  相似文献   

Magnetic properties of loess deposits on the northeastern Qinghai-Tibetan Plateau: palaeoclimatic implications for the Late Pleistocene   总被引：1，自引：0，他引：1  

Xiaoyong Wang  Huayu Lu  Huifang Xu  Chenglong Deng  Tianhu Chen  Xianyan Wang 《Geophysical Journal International》2006,167(3):1138-1147

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油页岩综合利用对周围环境的影响——以抚顺矿区为例   总被引：3，自引：0，他引：3  

张丽萍曾荣树  徐文东金福杰 《中国煤田地质》2006,18(2):46-48,51

世界能源日益减少的局面为油页岩的开发应用带来广阔的前景，但油页岩工业所带来的环境影响亦不容忽视。以抚顺油页岩为例，从油页岩综合利用和油页岩工业对环境的影响等方面系统讨论了在我国发展油页岩工业时，如何本着节约能源、保护环境、实现可持续发展的观念，利用现有先进技术，科学发展油页岩工业，降低生产过程中的固、液、气污染物对环境的危害。  相似文献   

利用三维地震在戈壁沙漠区解决复杂地质构造问题     

张灯亮徐忠华  牛小军 《中国煤田地质》2006,18(4):59-61

在分析戈壁沙漠地区地球物理特征的基础上，针对性的提出了解决煤田地质构造问题的方法，包括三维地震野外施工方法的选取、施工因素的选择、资料处理手段；并以获得的实际地质成果证实三维地震在解决复杂地质构造问题的可行性。  相似文献   

Ammonium regeneration in intertidal sediments of the Yangtze estuary during air-exposure     

L.J. Hou  M. Liu  J.J. Lu  S.Y. Xu  D.N. Ou  Y. Yang  D.G. Zheng 《Environmental Geology》2006,49(7):937-945

The influences of exposure to the atmosphere on ammonium cycle in the intertidal surface sediments were in situ studied with a geochemical approach at a typical station in the Yangtze Estuary during three tidal cycles in September 2003. During an about 8-h emersion period of each diurnal tide, six high-resolution vertical profiles of adsorbed and dissolved ammonium were measured. It was observed that both adsorbed and dissolved ammonium generally had an increasing trend in sediment cores during the exposure. The rate of ammonium regeneration in sediments was estimated using the accumulation amount of ammonium including adsorbed and soluble fractions during the daytime emersion. The calculation result showed that there was relatively high ammonification rate (˜500 nmol N cm⁻³ day⁻¹), which reflected that organic nitrogen in sediments was quickly decomposed with a residence time of ˜52.7 days. Due to the dramatic temperature difference observed in sediment profiles, free convection was considered an important mechanism of regulating the efflux of produced ammonium into overlying waters. The total estimated amount of regenerated ammonium was ˜1.35×10⁵ t N year⁻¹ in the intertidal flat of the Yangtze Estuary, which occupied 7.6% of the total inorganic nitrogen annually transported to the estuarine ecosystem.  相似文献   

Effect of sampling and linkage on fault length and length–displacement relationship     

S-S. Xu  A. F. Nieto-Samaniego  S. A. Alaniz-Álvarez  L. G. Velasquillo-Martínez 《International Journal of Earth Sciences》2006,95(5):841-853

The power-law exponent (n) in the equation: D=cL ⁿ , with D = maximum displacement and L = fault length, would be affected by deviations of fault trace length. (1) Assuming n=1, numerical simulations on the effect of sampling and linkage on fault length and length–displacement relationship are done in this paper. The results show that: (a) uniform relative deviations, which means all faults within a dataset have the same relative deviation, do not affect the value of n; (b) deviations of the fault length due to unresolved fault tip decrease the values of n and the deviations of n increase with the increasing length deviations; (c) fault linkage and observed dimensions either increase or decrease the value of n depending on the distribution of deviations within a dataset; (d) mixed deviations of the fault lengths are either negative or positive and cause the values of n to either decrease or increase; (e) a dataset combined from two or more datasets with different values of c and orders of magnitude also cause the values of n to deviate. (2) Data including 19 datasets and spanning more than eight orders of fault length magnitudes (10⁻²–10⁵ m) collected from the published literature indicate that the values of n range from 0.55 to 1.5, the average value being 1.0813, and the peak value of n _d (double regression) is 1.0–1.1. Based on above results from the simulations and published data, we propose that the relationship between the maximum displacement and fault length in a single tectonic environment with uniform mechanical properties is linear, and the value of n deviated from 1 is mainly caused by the sampling and linkage effects.  相似文献