XAS80到CGCS2000坐标转换的自适应拟合推估算法

借鉴自适应滤波思想,将相似变换作为坐标变换函数模型的趋势项,把模型变换后的残差看成随机场,通过自适应因子调整信号向量与观测向量的先验权比,尝试通过自适应拟合推估法进行坐标变换,并将其应用于1980西安坐标系(XAS80)到2000国家大地坐标系(CGCS2000)的坐标变换。计算结果表明,自适应拟合推估法的坐标变换结果精度明显优于相似变换结果和拟合推估变换结果。     

Sequestration of As and Mo in uranium mill precipitates (pH 1.5–9.2): An XAS study

As- and Mo- bearing secondary mineral phases formed during the neutralization of uranium mill wastes require characterization. Previous studies indicate that arsenate and molybdate adsorbed to ferrihydrite are the dominant controls in the tailings materials. A lab-scale plant was employed to characterize secondary precipitates from a variety of ore blends. Through total elemental analysis of precipitates and As and Mo K-edge X-ray absorption spectroscopy, different ratios of contributing phases were determined for each pH stage (4.2, 6.5, and 9.2) of the neutralization process. Overall, arsenate adsorbed to ferrihydrite was the dominant As mineral phase regardless of pH or sample blend (53–77%), with fractional contribution from ferric arsenates, and adsorption to aluminum phases. Molybdate adsorbed to ferrihydrite was the dominant Mo mineral phase, with fractional contribution decreasing with increasing pH (100–69%). The characterization of these phases in the secondary precipitates provides further understanding of the contributing mineral species in tailing facilities.     

Arsenic in framboidal pyrite from recent sediments of a shallow water lagoon of the Baltic Sea

Arsenic is a redox‐sensitive element of environmental relevance and often enriched in iron sulphides. Because sediments from the Achterwasser lagoon, a part of the estuarine system of the river Oder, south‐west Baltic Sea, show unexpectedly high pyrite concentrations of up to 7·5 wt% they were used to investigate the influence of authigenic pyrite on the mobility and burial of As in the coastal environment. Micro‐X‐ray‐fluorescence measurements of 106 micrometre‐sized pyrite framboids from the anoxic sediments show highly variable As concentrations ranging from 6 to 1142 μg g^?1. Even within a 1 cm thick layer, the As concentration of different framboids varies greatly and no clear depth trend is visible throughout the 50 cm long sediment core. Pyrite can account for 9 to 55% (average 22%) of the total As budget of the sediments and the degree of trace metalloid pyritization for As ranges from 26 to 61%, indicating that authigenic pyrite formation is an important process in the geochemical cycling of As in coastal sediments. High‐resolution micro‐X‐ray fluorescence mapping of single pyrite grains shows that As is distributed inhomogeneously within larger framboids, suggesting changing pore water composition during pyrite growth. X‐ray absorption near edge structure spectra indicate that As is usually present as As(‐I) substituting S in the pyrite lattice. However, in samples close to the sediment/water interface a considerable part of As is in higher valence states (+III/+V). This can be explained by frequent re‐suspension of the surficial sediments to the oxic water column due to wave action and subsequent re‐deposition, leading to the adsorption of As oxyanions onto pyrite. Although reduced As(‐I) becomes more important in the deeper samples, reflecting decreasing redox potential and a longer time since deposition, the occurrence of oxidized As species (AsIII/AsV) in pyrite in the anoxic part of the sediment suggests formation under dysoxic conditions.     

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同步辐射X射线吸收光谱在环境矿物学中的应用

本文介绍了同步辐射X射线吸收光谱（XAS）在环境矿物学中的应用与进展,尤其是在矿物载体催化剂的环境催化活性研究、固-液界面的微观机制研究、毒性痕量元素在矿物中赋存状态的研究、核废料的矿物处置研究等方面的发展现状。最后指出,XAS对推动环境矿物学的发展、优化环境矿物材料和原料的工艺流程具有独特的优势,在我国还有待进一步加强其发展和应用。     

富氯造岩矿物中溴的分子结构

卤族元素诸如氯和溴作为地球化学示踪剂,常用于指示岩浆、变质岩和热液的来源和演化过程。而认清溴在造岩矿物中的形态和结构有助于丰富和完善其在地质环境演变中的示踪作用。但是,溴在造岩矿物中的含量极低导致大多数结构分析方法都无法使用,因此造岩矿物中微量溴的结构研究极具挑战性。本文采用 ⁸¹Br魔角旋转核磁共振(MAS NMR)光谱和同步辐射吸收光谱(XAS)技术,首次对富氯造岩矿物中的微量溴进行了结构分析。结果表明溴离子在方硼石中的微区结构不同于该矿物中三配位Cl原子的结构环境,而与Mg₃B₇O₁₃Br中八面体配位的溴离子相似,表明即使在微量条件下也存在域偏析。而对其他富氯造岩矿物的Br K边X光吸收近边结构(XANES)光谱白线峰的位置和扩展X射线吸收精细结构(EXAFS)分析表明微量溴离子替代了这些矿物中氯的位置,导致局部结构扭曲膨胀。溴离子在造岩矿物中的这一微观结构研究结果可为探索氯和溴在地质演变过程的指示作用提供新的科学依据。     

矿物和玻璃中MgK-边X射线吸收光谱研究

我们利用同步辐射Ｘ射线吸收光谱已经研究了硅酸盐矿物、铝硅酸盐矿物和玻璃中的主要阴离子Ｓｉ、ＡｌＫ边Ｘ射线吸收光谱［１～５］,指出随着压力变化而引起Ｓｉ、ＡｌＫ边向高能位移而配位数增大的规律。硅由４配位（如石英）变成６配位（如柯石英）。Ａｌ在矿物结构中的配位不同,如４配位的蓝晶石、５配位的红柱石、６配位的矽线石。这些矿物的局部结构不同,其键长、键角也不同,从而引起矿物的物理性质发生明显的变化。Ｍｇ不仅是地壳中广泛分布的造岩元素,而且也是组成地幔物相和未分异的原始岩浆的主要成分,是组成造岩矿物的…     

Local environment and valence state of iron in microinclusions in fibrous diamonds: X-ray absorption and Mössbauer data

Iron valence state and local environment in a set of fibrous diamonds from Brazilian and Congolese placers were investigated using X-ray absorption and Mössbauer spectroscopies. It is shown that the diamonds could be divided into two main groups differing in the type of dominant Fe-bearing inclusions. In the first group Fe is mostly trivalent and is present in octahedral coordination; diamonds from the second group contain a mixture of Fe²⁺ and Fe³⁺, most likely with Fe²⁺ in dodecahedral coordination. A few other diamonds contain iron in a more reduced state: The presence of metallic Fe and Fe₃O₄ is inferred from XAS measurements. Spatially resolved XANES and Mössbauer measurements on polished diamond plates show that in some cases the Fe valence state may change considerably between the core and rim, whereas in other cases Fe speciation and valence remain constant. It is shown that Fe valence does not correlate with water and/or carbonate content or ratio, suggesting that iron is a minor element in the growth medium of fibrous diamonds and plays a passive role. This study suggests that, when present, evolution of the C isotopic composition with diamond growth is largely due to changes in chemistry of the growth medium and not due to variations of f_O2.