钛（Ⅳ）的反相萃取柱色层新体系研究及应用

本文研究了以ｃＨＣｌ＝８ｍｏｌ·Ｌ－１盐酸为移动相，以聚四氟乙烯负载的钽试剂－ＣＨＣｌ３为固定相反相萃取层析钛（Ⅳ）的新体系，柱上层析的钛用ｃＨＣｌ＝３ｍｏｌ·Ｌ－１盐酸洗脱后经二安替比林甲烷光度法测定，不仅钛回收率可达１００％，并可使钛（Ⅳ）与多种离子分离。能用于矿物岩石类复杂样品及其他物质中钛的分离富集与测定，方法简便快速。     

人工合成宝石级翡翠的研究

本文以对化学试剂为原料，用静奇谈怪论同温高压固相转变法合成宝石级翡翠的机理和工艺条件进行了实验研究，测定了与硬玉化学组分相同的玻璃物质的高压熔融曲线和固相转变的区域，提出了在熔融曲线左侧附近固相区生长优质硬玉的观点，以及在宝石级悲翠合成中的若干技术问题。     

Aerosol polarized phase function and single-scattering albedo retrieved from ground-based measurements

Aerosol optical parameters, polarized phase function and single-scattering albdeo, have been retrieved from ground-based sun photometer measurements in Beijing 2003. The measured aerosol optical thickness varies from 0.12 to 0.77 with an average value of 0.39. The measured Ångström coefficient ranges from 0.75 to 1.47 with an average value of 1.21. The retrieved single-scattering albedo at 870 nm is within the 0.76–0.94 range and the average value is 0.85, suggests there are considerable aerosol absorptions in Beijing. The maximum value of retrieved polarized phase function at 870 nm ranges from 0.068 to 0.225 with an average value of 0.16, and it illustrates good correlations with the Ångström coefficient, i.e. the relative size of aerosol particles. Analyses of measurements and theoretical calculations show the polarized phase function is sensitive to aerosol size distribution and complex refractive index, especially the imaginary part of the refractive index which denotes aerosol light absorbing effects. These results suggest that the polarized phase function is an effective and unique aerosol optical parameter and is able to improve the retrieval of aerosol physical properties.     

Molecular modeling of the 10-Å phase at subduction zone conditions

Molecular dynamics (MD) modeling of the 10-Å phase, Mg₃Si₄O₁₀(OH)₂·xH₂O, with x=2/3, 1.0 and 2.0 shows complex structural changes with pressure, temperature and water content and provides new insight into the structures and stabilization of these phases under subduction zone conditions. The structure(s) of this phase and its role as a reservoir of water in the mantle have been controversial, and these calculations provide specific predictions that can be tested by in situ diffraction studies. At ambient conditions, the computed structures of talc (x=0) and the 10-Å phases with x=2/3 and 1.0 are stable over the 350-ps period of the MD simulations. Under these conditions, the 10-Å phases show phlogopite-like layer stacking in good agreement with previously published structures based on powder X-ray diffraction data for samples quenched from high-pressure and high-temperature experiments. The calculations show that the 10-Å phase with x=2.0 is unstable at ambient conditions. The computed structures at P=5.5 GPa and T=750 K, well within the known stability field of the 10-Å phase, change significantly with water content, reflecting changing H-bonding configurations. For x=2/3, the layer stacking is talc-like, and for x=1.0, it is phlogopite-like. The calculations show that transformation between these two stackings occurs readily, and that the talc-like stacking for the x=2/3 composition is unlikely to be quenchable to ambient conditions. For x=2.0, the layer stacking at P=5.5 GPa and T=750 K is different than any previously proposed structure for a 10-Å phase. In this structure, the neighboring basal oxygens of adjacent magnesium silicate layers are displaced by b/3 (about 3 Å) resulting in the Si atoms of one siloxane sheet being located above the center of the six-member ring across the interlayer. The water molecules are located 1.2 Å above the center of all six-member rings and accept H-bonds from the OH groups located below the rings. The b/3-displaced structure does not readily transform to either the talc-like or phlogopite-like structure, because neither of these stackings can accommodate two water molecules per formula unit. There is likely to be a compositional discontinuity and phase transition between the b/3-displaced phase and the phase with phlogopite-like stacking. The simulations reported here are the first to use the recently developed CLAYFF force field to calculate mineral structures at elevated pressures and temperatures.     

四川新康风化淋滤型海泡石的热相变研究

以四川新康风化淋滤型海泡石为研究对象，利用X射线衍射分析和红外光谱分析技术，对海泡石的热相变过程及特征进行了研究。结果发现，四川新康风化淋滤型海泡石的相变过程与沉积型、热液型海泡石相变过程明显不同，其相变过程可以划分为两个阶段：800℃以下保持海泡石相；800℃以上海泡石相转化为斜顽辉石相。     

The magmatic to hydrothermal transition and its bearing on ore-forming systems

The exsolution of volatile phases from silicate magmas controls physical and chemical magma properties and influences large-scale geologic phenomena and processes having major societal and economic implications including the release of climate-altering gases to the atmosphere, the explosivity of volcanic eruptions, hydrothermal alteration, and the generation of magmatic–hydrothermal mineralization. These volatile phases exsolve from a wide variety of magmas and cover a very broad spectrum of compositions.

The transition from the orthomagmatic to the hydrothermal stages has important bearing on these fundamentally important geologic phenomena, and this report summarizes the published results of a dozen scientific investigations on the magmatic–hydrothermal transition as applied to volcanic eruption and magmatic–hydrothermal mineralization. These studies involve a variety of analytical and experimental methodologies, and many focus on fluid and melt inclusions from mineralized magmatic systems. A primary goal of each study is to better understand the role of magmatic volatiles and the importance of the magmatic–hydrothermal transition on these geologic processes.     

The structural role of Ti in aluminosilicate liquids in the glass transition range: insights from heat capacity and shear viscosity measurements

The shear viscosities and 1 bar heat capacities of glasses and melts along the 67mol% silica isopleth in the system SiO₂-Al₂O₃-Na₂O-TiO₂ have been determined in the temperature ranges 780-1140 K and 305-1090 K respectively. Anomalous behaviour of both these properties is observed for compositions rich in TiO₂ and/or Al₂O₃, an observation attributed to liquid-liquid phase separation followed by anatase crystallization. For samples which do not show anomalous behaviour, it is found that the partial molar heat capacity of the TiO₂ component previously determined in Al-free compositions reproduces our heat capacities to within 1.3%. Viscosity data show that addition of TiO₂ tends to increase viscosity and melt fragility at constant temperature. Furthermore, heat capacity and viscosity data may be combined within the framework of the Adam-Gibbs theory to extract values of the configurational entropy of the liquids and qualitative estimates of the variation of the average energy barrier to viscous flow. Configurational entropy at 900K is inferred to decrease upon addition of TiO₂, in contrast to previous results from Al-free systems. The compositional limit separating normal from anomalous behaviour, as well as the data for homogenous melts have been used to constrain the structural role of Ti in these samples. Our data are consistent with a majority of Ti in five-fold coordination associated with a titanyl bond, in agreement with previous spectroscopic studies. Furthermore, we find no evidence for a Ti-Al interaction in our samples, and we are led to the conclusion that Al and Ti are incompletely mixed, a hypothesis consistent with the observed reduction of configurational entropy upon addition of TiO₂, suggesting an important role of medium range order in controlling the variations in thermodynamic properties.