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.     

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.     

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.     

体育场馆产业虚拟集群的构建

基于互联网技术在产业领域全面渗透的发展形势,部分学者提出“网络空间邻近性将取代地理空间邻近性”的论断,而另一部分研究结论坚持认为网络信息技术与平台是线下产业转型升级的“催化剂”,同时提出线下实体产业自身及其关联产业之间的地理要素对线上虚拟平台的构建与发展具有重要意义。据此,文章从地理空间的视角,试图阐释体育场馆虚拟集群构建的地理学研究基础和关注重点,分析体育场馆地理聚集效应无法形成的原因,总结归纳产业虚拟集群具有促进产业聚集形态、提高规模经济效益、建立分工协作关系、带动合作与竞争氛围、形成柔性化创新模式等作用,提出构建虚拟集群是未来体育场馆产业发展的重要形式之一。目前,中国体育场馆产业虚拟集群是横向各成员间合作与竞争的利益价值链,纵向是供需两端线上下产销价值链,共同构成了集群基本的结构体系;根据集群产业的主体规模、地理位置、产权属性和网络化程度等,场馆产业虚拟集群可分为单体型、连锁型、联盟型;而根据场馆产业集群的结构体系和功能特征,其发展过程需历经技术融合、产品改造、结构优化3个升级阶段。最终,建议通过正确认识场馆虚拟集群构建的地理性涵义,持续提升线下场馆服务的核心竞争力,发挥政府的政策支持和牵头结盟作用,建立场馆虚拟集群成员准入监督机制,为虚拟产业集群的创新发展提供理论与实践指导。     

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。     

Valency Study of Vanadium in Stone Coal Ash of Jiangxi Province

Vanadium-bearing stone coal is a new vanadium resource;recovery ofV_2O_5 from the coal has been investigated.It has been found that a satisfactoryextraction of V_2O_5 depends on both the oxidation of V and its reaction with so-dium salt.V in the coal ash of Yushan mainly exists in two oxidation states:98％V(Ⅲ)and2％V(Ⅳ).The distribution of valency of V shows that organicmatter determines V valency at low temperatures,at about470℃,V(Ⅲ)iscompletely oxidized to V(Ⅳ);above500℃,the temperature is the most impor-tant factor for the oxidation of V .At higher temperatures no more V is oxidizedto V(Ⅴ);an equilibrium is established after92％of V is oxidized to V(Ⅴ).The roles of NaCl in the recovery of V_2O_5 from the coal ash were discussed.The best conditions for roasting are temperature750-800℃for1 h.underthe oxidation-chlorination atmosphere.When the ore:NaCl=100:10 by weight,η_roast reaches85.5％.According to the results,a flowsheet for V_2O_5 extrac-tion from coal ash has been proposed.     

Effect of melt composition on basalt and peridotite interaction: laboratory dissolution experiments with applications to mineral compositional variations in mantle xenoliths from the North China Craton

Interaction between basaltic melts and peridotites has played an important role in modifying the lithospheric and asthenospheric mantle during magma genesis in a number of tectonic settings. Compositions of basaltic melts vary considerably and may play an important role in controlling the kinetics of melt–peridotite interaction. To better understand the effect of melt composition on melt–peridotite interaction, we conducted spinel lherzolite dissolution experiments at 2 GPa and 1,425 °C using the dissolution couple method. The reacting melts include a basaltic andesite, a ferro-basalt, and an alkali basalt. Dissolution of lherzolite in the basaltic andesite and the ferro-basalt produced harzburgite–lherzolite sequences with a thin orthopyroxenite layer at the melt–harzburgite interface, whereas dissolution of lherzolite in the alkali basalt produced a dunite–harzburgite–lherzolite sequence. Systematic variations in mineral compositions across the lithological units are observed. These mineral compositional variations are attributed to grain-scale processes that involve dissolution, precipitation, and reprecipitation and depend strongly on reacting melt composition. Comparison of mineral compositional variations across the dissolution couples with those observed in mantle xenoliths from the North China Craton (NCC) helps to assess the spatial and temporal variations in the extent of siliceous melt and peridotite interaction in modifying the lithospheric mantle beneath the NCC. We found that such melt–rock interaction mainly took place in Early Cretaceous, and is responsible for the enrichment of pyroxene in the lithospheric mantle. Spatially, siliceous melt–peridotite interaction took place in the ancient orogens with thickened lower crust.     

且干布拉克蛭石的矿物学研究

本文对产于新疆且干布拉克的我国最大蛭石矿的组成、结构和谱学特征做了系统的阐述。研究表明:且干布拉克蛭石是由金云母风化而成。由于风化的不完全,该蛭石保留了许多金云母的特征。该蛭石不是个严格矿物学意义上的蛭石,它是由金云母、严格矿物学意义上的蛭石、以及两者组成的多种混层矿物的混合物。金云母风化过程中可能有杂质铁相生成。蛭石的颜色和多色性,可能起因于其中的O~(2-)→Fe~(2+23+)和Fe~(2+)→Fe~(3+)