基于XML的地质信息共享与交换模型

作者简单介绍了了地质信息资源网络化的意义和发展状况，最近几年地质信息的网络化取得了飞跃的发展，在信息共享和交换方面取得了一定进展，但也暴露出许多不足，作者提出了在信息使用中数据源和客户端使用者之间建立了基于XML－Externsible Markup Language的地质信息共享与交换网络服务层的思路，对网络服务层的概念和优点进行阐述，并通过程序代码和简单注释说明使用XML技术的实现方案和方法。     

"黑色"非晶形三价铁羟基氧化物及其对有害物质的吸附

利用硝酸铁与氨水之间的水解反应,生成了一种新的"黑色"非晶形三价铁羟基氧化物 (FeOOH).该物质在室温下稳定,有较高的硬度,其比表面积约为 300 m2/g,零电荷点 (PZC)在 pH 7～ 8之间.根据 M(o)ssbauer谱的鉴定,它具有四方纤铁矿(β-FeOOH)的结构特征. FeOOH和它与各溶质的表面配合物的 X射线光电光谱结果表明, FeOOH与 Pb、 Zn和GrO(4/2-)之间的反应是物理吸附,而与PO(4/3-)和AsO(4/3-)之间的反应是化学吸附. 3个阴离子及 2个阳离子的吸附等温式结果表明,该三价铁羟基氧化物的吸附能力比常见的铁羟基氧化物强 3倍.磷酸盐与砷酸盐之间的竞争反应结果表明,磷酸盐与 FeOOH的反应比砷酸盐强烈.     

电解二氧化锰制备条件与晶体结构及电气性能的关系Ⅱ．不同电解液体系的影响

在MnSO4-H2SO4和MnCl2-HCl电解液体系中分别制备出电解二氧化锰（EMD），并在该二电解液中制备出掺杂MnO2样品，而后用X射线衍射确定其晶型为MnO2-γ，用扫描电镜观察其表面形貌，用XPS研究掺钛EMD表层物种，用模拟电池在实验室中快速检测掺杂样品的电性能，进而探讨了不同电解液体系中制备所得MnO2与其晶体结构及电气性能的关系。     

保温板在内蒙多年冻土区道路工程中的应用

根据博—牙高速沿线气象工程地质资料、观测资料、设计资料,借助有限元软件构建了路基温度场数值计算模型,着重对不同路基填筑高度条件下XPS板对温度场的影响进行了研究。研究发现:路基填筑高度的增加和XPS保温板的应用对冻土都起到了积极的保护作用,相同路堤填筑高度下,道路运营到第20年时,XPS保温板路基多年冻土温度比碎石路基降低了约0.19℃;XPS保温板的存在使得冻土上限上移更加明显,相同路基高度下,冻土上限平均抬升量约为1.23 m,在规范规定年限内,XPS保温板路基的冻土上限均位于换填碎石中;但XPS保温板的存在加剧了阴阳坡效应的发展,综合考虑,在本段落若采用碎石路堤建议路堤高度应保持在3 m以上;若采用XPS保温板路基,建议路堤高度不超过2 m。      

Organic–mineral interactions in marine sediments studied using density fractionation and X-ray photoelectron spectroscopy

Interactions between organic matter (OM) and minerals are important for the preservation of organic material in marine sediments. Recent evidence suggests that these interactions may not be due to protection of the organic matter via simple sorption to minerals, but rather that the organic matter is acting as a glue between mineral particles resulting in aggregate formation. Density fractionation into multiple density intervals is a powerful approach for looking at the patchy nature of organic matter distribution (Bock, M.J., Mayer, L.M., 2000. Mesodensity organo-clay associations in a near-shore sediment. Marine Geology 163, 65–75), because isolates with varying organic matter loadings can be obtained. The aggregate surfaces can be examined using X-ray photoelectron spectroscopy (XPS), because this technique is restricted to the top 10 nm of the sample surface. XPS gives quantitative information on all the elements on the surface (except H and He) and, in addition, gives information on the chemical bonding of carbon and nitrogen. We used these techniques, along with more standard geochemical tools (CHN, surface area and amino acid analyses), to study a sediment sample of high organic matter content from the oxygen deficient zone off the western coast of Mexico. We found that amino acid composition indicates that the fractions get progressively more degraded as density increases, while the fraction of carbon bonded to oxygen suggests that the oxidation state of the organic matter is similar for all fractions. In addition, the comparison of surface carbon concentrations from XPS and OC:SA suggests that the OM is located in discrete spots on the surface and that as density increases (OC:SA decreases) the organic matter decreases in thickness while retaining the same proportional areal extent.     

黄铁矿表面次生色:氧化程度的标志

对具有不同表面次生色的黄铁矿氧化表面进行了XPS、AES成分分析，认为黄铁矿表面氧化作用形成了由Fe(Ⅲ）－O组分、单质硫和水绿矾等组分组成的表面氧化层。黄铁矿表面次生色的变化取决于表面氧化层的厚度及其中Fe(Ⅲ)-O组分、单质硫的相对含量。氧化程度较弱时，或者由于氧化层中单质硫含量相对较高，或者由于表面氧化层太薄，可见光能直接透过该层，黄铁矿表面以黄色调为主；而黄铁矿表面呈蓝色是由于氧化程度增强，氧化层厚度增加到适合于可见光产生干涉作用，因而是一种干涉作用所致的锖色，而不是铜蓝致色；氧化程度进一步增强时，形成了足够厚的Fe(Ⅲ)-O组分层，使黄铁矿表面呈Fe(Ⅲ)-O组分的颜色。     

黄铁矿风化表面高含量的碳:微生物活动的证据

位于尾矿或废石堆中的黄铁矿，其表面的碳常有3种来源：(1)吸附的CO2，(2)沉淀的碳酸盐矿物或吸附的[CO3]^2-，[HCO3]^-；(3)黄铁矿表面的微生物。XPS分析显示，在鸡冠山废岩堆中，黄铁矿表面的碳含量普遍较高，仅用来自大气中CO2的吸附是难以解释的。这些黄铁矿处于废岩堆氧化带的酸性环境中，决定了在它们的表面不可能存在第二种来源的碳，XRD谱也证实在这些黄铁矿的表面风化层中不存在碳酸盐矿物。微生物Thiobacillus ferrooxidans和Leptospirillum ferrooxidans等常富集于低pH的尾矿或废石堆的氧化带中，参与并催化硫化物矿物的氧化。因此，黄铁矿表面高含量的碳是吸附的CO2和附着的微生物耦合的结果，反映了微生物的存在。     

Crystal orbital contributions to the pyrrhotite valence band with XPS evidence for weak Fe–Fe π bond formation

 Synchrotron excited X-ray photoelectron spectra (SXPS) of hexagonal pyrrhotite reveal three distinct Fe 3d-derived photopeaks within its outer valence band. The t _2gα band (majority spin) is centered at about 2.5 eV, the e _g α band at about 1.0 eV and the t _2gβ (minority spin) contribution at about 0.25 eV. From these data the ligand field splitting energy is 1.5 (±0.2) eV and the majority spin pairing energy is 2.25 (±0.2) eV. These are the first such XPS measurements for this mineral. S 3p-derived bonding and non-bonding bands are identified, with the former centred at about 6.5 eV and the latter near 4.5 eV. The XPS results are remarkably consistent with SCF-Xα scattered wave molecular orbital calculations. Although the calculations and the collected spectra are consistent, they differ from a recent interpretation of the pyrrhotite valence band. An explanation for the discrepant results is provided. Auger resonant enhancement of Fe 3d photopeaks at 60 eV photon energy results in the t _2gα emission (at 2.5 eV) being strongly enhanced and broader than the t _2gβ emission (0.25 eV). The explanation of these observations requires the presence of weak Fe–Fe π and π^* crystal (molecular) orbitals located near 2.5 eV, and separated by no more than about 0.5 eV. The π-bonded crystal orbitals are derived from weak mixing of adjacent Fe t _2g atomic orbitals along the c crystallographic axis. Received: 15 June 2000 / Accepted: 11 June 2001     

矿山铁的硫化物矿物处理皮革厂含铬废水的研究

为了全面提升内蒙古大型硫铁矿的综合利用价值,尝试将其主要成分磁黄铁矿和黄铁矿分别用于处理含铬废水,找到了天然硫铁矿和改性硫铁矿处理Cr(Ⅵ)的最佳实验条件。与已有的研究相比,本研究所使用的矿样粒径减少到80~100目,用量减少了70%,所处理的含铬废水浓度增大到50 mg/m L。将处理含铬废水后的硫铁矿经XPS扫描分析后发现,天然黄铁矿在pH值分别为1.84、4.15和10.87的反应体系中处理Cr(Ⅵ)后,大部分的Cr(Ⅲ)以Cr2S3的物相出现,分别占总铬物相的77.99%、86.53和100%。天然磁黄铁矿在pH值为6.5,加热500℃改性后的黄铁矿在pH值为4.15时,也有相当量的三价铬以Cr2S3的物相出现。用已经获得的处理含铬Cr(Ⅵ)的最佳条件,直接用于处理某皮革厂高浓度的含Cr(Ⅲ)实际废水,去除率达73%。本研究为综合处理含铬废水提供了思路,成为矿山资源化的途径之一。