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

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.     

Pumpellyite in Low-grade Metamorphism

The regional metamorphism of the Kant? Mountains in Japan producedrocks of the following facies, with rising temperature: chloritefacies, pumpellyite-chlorite facies, glauco-phane-schist facies,and greenschist facies. This relationship is compared with theprogressive metamorphic zones in other regions where pumpellyitehas been found. Almost similar relations appear to hold in manymetamorphic terrains. Pumpellyites in glaucophanitic metamorphicterrains have, generally, low Fe'/R'R ratios. Physical andchemical conditions responsible for the formation of pumpellyiteare also discussed.     

用自组织人工神经网络分类,识别矿物

作者运用三维Ｔ．Ｋｏｈｏｎｅｎ自组织人工神经网络对我国沉积碳酸盐型锰矿中菱锰矿进行分类、识别。所选研究实例中，识别成功率达１００％．结果表明，该网络性能良好，可望成为矿物识别的有效手段。     

Magnetic susceptibility of ultrahigh pressure eclogite: The role of retrogression

Retrograde metamorphism played the dominant role in changing the low-field rock magnetic properties and density of 198 specimens of variably retrograded eclogites from the main borehole of the Chinese Continental Scientific Drilling Project (CCSD) and from surface outcrops in the Donghai area in the southern part of the Sulu UHP belt, China. Bulk magnetic susceptibility (κ) of unretrogressed UHP eclogite is controlled by whole-rock chemical composition and ranges from 397 to 2312 μSI with principal magnetic susceptibility carrying minerals paramagnetic garnet, omphacite, rutile and phengite. Partially retrograded eclogites show large variations in magnetic susceptibility between 804 and 24,277 μSI, with high mean magnetic susceptibility values of 4372 ± 4149 μSI caused by appreciable amounts of Fe-Ti oxide minerals such as magnetite, ilmenite and/or titanohematite produced by retrograde metamorphic reactions. Completely retrograded eclogites have lower susceptibilities of 1094 ± 600 μSI and amphibolite facies mineral assemblages lacking high magnetic susceptibility minerals. Jelínek's corrected anisotropy (P_j) of eclogites ranges from 1.001 to 1.540, and shows a positive correlation with low-field magnetic susceptibility (κ). Arithmetic mean bulk density (ρ) shows a steady decrease from 3.54 ± 0.11 g/cm³ (fresh eclogite) to 2.98 ± 0.06 g/cm³ (completely retrograded eclogite). Retrograde metamorphic changes in mineral composition during exhumation appear to be the major factor causing variations in low field magnetic susceptibility and anisotropy. Retrograde processes must be taken into account when interpreting magnetic surveys and geophysical well logs in UHP metamorphic terranes, and petrophysical properties such as density and low-field magnetic susceptibility could provide a means for semi-quantifying the degree of retrogression of eclogite during exhumation.     

Calcified roasting-acid leaching process of vanadium from low-grade vanadium-containing stone coal

The low-grade vanadium-containing stone coal used in this experiment was collected from Wuxi Coun- try, Chongqing City, China. The experiment focused on the vanadium recovery from roasted residue through opti- mizing the process conditions of an effective and environmentally-friendly technology, named calcified roast- ing-sulfuric acid leaching technology. By single-factor experiments and orthogonal experiments, the effects of roast- ing temperature, roasting time, sulfuric acid concentration and leaching time on the leaching ratio of vanadium were analyzed. The results showed that the leaching ratio of vanadium reached 85.5% under the proper technological con- ditions of roasting temperature=950℃, roasting time=4 h, 40% concentration of sulfuric acid and leaching time=6 h.     

Fluid inclusion studies of the Abawso gold prospect,near the Ashanti Belt,Ghana

The major Ghanaian lode gold deposits are preferentially aligned along the western and eastern contacts of the Kumasi Basin with the Ashanti and Sefwi Belts, respectively. The investigated area of the Abawso small-scale concession, covering the workings of the old Ettadom mine, is situated 3 km west of the lithological contact of the Birimian metavolcanic rocks of the Akropong Belt in the east with the Birimian metasedimentary rocks of the Kumasi Basin in the west. The rocks of the Abawso concession represent a steeply NW-dipping limb of a SE-verging anticline with an axis plunging to the SW. Quartz veining occurs predominantly in the form of en échelon dilatational veins along NNE–SSW-striking shear zones of a few metres width and shows evidence of brittle and ductile deformation. Also stockwork-style quartz veining occurs in the vicinity of the main shaft of the old Ettadom mine. Hydrothermal alteration includes sericitisation, sulphidation and locally carbonatisation. The auriferous quartz veins mainly follow the trend of brittle to ductile deformed quartz veins; however, some occur in stockwork. Fluid inclusion studies reveal a large number of H₂O inclusions along intragranular trails in auriferous quartz vein samples, as well as an overall dominance of H₂O and H₂O-CO₂ inclusions over CO₂ inclusions. Textural observations and physico-chemical fluid inclusion properties indicate post-entrapment modifications for all quartz vein samples due to grain boundary migration recrystallisation. This process is interpreted to be responsible for the generation of the CO₂ inclusions from a H₂O-CO₂ parent fluid. In comparison with mineralisation at the Ashanti and Prestea deposits, which are characterised by CO₂±N₂ inclusions, the observed inclusion assemblage may be due to a shallower crustal level of mineralisation, or different degrees and styles of recrystallisation, or a less pronounced development of laminated quartz veins due to comparably restricted pressure fluctuations. Furthermore, the microthermometric observations allow the reconstruction of a possible retrograde P-T path, depicting near-isothermal decompression in the P-T range of the brittle/ductile transition.Editorial handling: E. Frimmel     

Kinetics and Equilibrium Sorption Studies of 4-Nitrophenol on pyrolyzed and activated oil shale residue

Sorption of the organic pollutant 4-nitrophenol (4-NP) by pyrolyzed and activated Jordanian oil-shale was studied. Pyrolyzed oil shale was prepared using a fluidized bed reactor at 520 °C in the presence of nitrogen. Physical activation was carried out by treating the pyrolyzed oil shale with CO₂ at 830 °C, while chemical activation was achieved by using KOH and ZnCl₂ as impregnating agents. Batch kinetics and isotherm studies were conducted to evaluate the sorption process. Effects of contact time, initial sorbate concentration, sorbent concentration, temperature, pH and inorganic salts (NaCl and KCl) on the sorption process by the different sorbents were considered. Chemically activated oil shale, pretreated with ZnCl₂, gave the highest uptake of 4-NP. The isotherm experimental data fit reasonably well to Langmuir, Freundlich and Redlich-Paterson models. Three kinetic models, namely the Morris-Weber, Lagergren, and Pseudo-Second-Order model (PSOM), were applied to represent the experimental results for both pyrolyzed and ZnCl₂-oil shale sorbents.     

Assessing the vulnerability of social–environmental system from the perspective of hazard,sensitivity, and resilience: a case study of Beijing,China

Despite a recent increase in the number of vulnerability analyses there has been relatively little discussion of vulnerability assessment of social–environment system, especially when they face multiple hazards. In this study, we developed an applicable and convenient method to assess vulnerability of social–environment system at a regional scale. Vulnerability is quantified by measuring three critical elements (i.e. hazards, sensitivity, and resilience) through some key variables. The results showed that vulnerability is high in Miaofeng Mountain in Mengtougou District, the hills of Pinggu County and the riparian zones of the lower courses of the Beiyun and Yongding Rivers; but low in the city of Beijing and the southwestern part of the Fangshan District. Areas of very high, high, medium, and low-vulnerability account for 6.19, 25.48, 33.06, and 35.27% of the total area, respectively. The degree of vulnerability decreases in a northwest direction in mountainous areas and declines from watercourses to riparian zones along a lateral direction in the plain. Some adaptive strategies are also proposed.     

基于CMIP5多模式集合资料的中国气温和降水预估及概率分析

选用国际耦合模式比较计划第五阶段（CMIP5）提供的30个全球大气-海洋耦合模式（AOGCMs）在典型浓度路径（RCPs）情景下气温和降水量的预估结果,采用扰动法,用站点观测资料作为气候背景场替代AOGCM模拟的气候平均,尝试校正气候预估结果的系统性偏差。通过集合方法,用概率的形式给出中国平均气温升高1 ℃,2 ℃和3 ℃以及降水量增加10%,20%和30%概率的空间分布,讨论了中国未来平均气温和降水量可能的变化。结果表明：经过扰动法处理后的气温和降水量预估集合保留了当前气候的局地信息。预估平均气温在中国均有上升,北方地区尤其是青藏高原地区变暖的程度大于南方地区,北方大部分地区平均气温升高的趋势为0.28 ℃/10a。在21世纪初,中国北方地区年平均气温升高1 ℃的可能性超过50%。到了21世纪末期,中国大部分地区平均气温升高2 ℃的可能性超过60%,新疆北部以及青藏高原南部地区气温升高3 ℃的可能性超过50%。预估中国降水量普遍增多,中国北方地区降水量增多的程度要明显大于江淮流域及其以南地区,尤其是西北地区降水量增多非常显著,降水量增多30%的可能性超过70%以上。     

Trends in the frequency of synoptic types in central-southern Chile in the period 1961–2012 using the Jenkinson and Collison synoptic classification

Atmospheric circulation patterns in southern Chile (42° 30′ S) were studied in order to determine and analyse the most characteristic synoptic types and their recent trends, as well as to gain an understanding of how they are associated with low-frequency variability patterns. According to the Jenkinson and Collison (J&C) classification method, a 16-point grid of sea-level pressure data was employed. The findings reveal that some synoptic types show statistically significant trends with a 95% confidence level, positively for anticyclonic westerly hybrids (AW) and advective types for third and fourth quadrant wind flows (W, NW, and N) and negatively for SW and cyclonic hybrids (CS and CSW). A model has been constructed of the linear regression of some weather types with teleconnections that most affect Chile: the undetermined types (U), AW were associated with El Niño or the warm phase of the Pacific Decadal Oscillation (PDO), whereas the cyclonic northerly and cyclonic northeasterly types (CN and CNE) were associated with La Niña or cool phase of the PDO. The weather types associated with Antarctic Oscillation (AAO) in its positive phase are anticyclonic northerly and northeasterly and northerly advection types, while in its negative phase are cyclonic southwesterly and advection types.