流体的热力学前缘研究

总结了当前国内外关于流体的热力学前缘研究领域如下：（１）流体体系的ｐ－Ｖ－Ｔ－ｘ相关系研究，主要对象是Ｈ２Ｏ－ＣＯ２－盐类多组分体系高温高压下相图的实验和理论研究。（２）矿物在流体中的溶解度及溶解后在流体中溶解类型的形式和热力学性质——平衡常数（或Ｇｉｂｂｓ自由能）及各种偏摩尔性质的研究。（３）流体热力学模型化研究，已研制出大量的计算机软件，包括多种矿物、溶解类型的热力学数据库和模拟热液平衡、矿物溶解性质、反应路径和水—岩相互作用的实用程序。（４）超临界流体的相关系和化学反应等有许多特殊的性质，对认识地球内部的演化将有重要意义。（５）新技术新方法的发展，使分析单个矿物包裹体成分变成了现实。     

二维TIM中的传播矩阵与面波相速度

本文利用横向各向同性介质（ＴＩＭ）中的传播矩阵和面波形成条件，导出了面波波慢度方程。对瑞利波给出了各向同性及横向各向同性弹性介质中其相速度的解析解；对于勒夫波，给出了横向各向同性介质中的波慢度方程。     

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。     

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.     

应用GMS5多通道云图估计降水技术的研究

对近两年来5～8月中国东部地区120多个测站雨量观测资料和对应4400多幅GMS-5四个通道云图的研究发现：红外亮温的时间、空间变率、红外和水汽通道亮温差等云图衍生资料对消除卷云，弥补夜间缺少可见光云图的不足起到明显作用。从而，应用双判据双重MOS多元回归法建立四通道云图因子、衍生因子与降水量之间的回归方程，进行6小时分级降水估计。为了进一步消除厚卷云和特殊地形的影响，提出使用逐日实时资料自动建立多元回归方程估计降水量，从而对双判据双重MOS多元回归法估计结果进行校正。上海中心气象台的业务使用表明，总体估计的准确率达70％左右。     

用混合和扩散云室对大气冰核浓度的观测分析

继1963年用混合云室对春季冰核浓度观测之后，1994～1996年，在同季节、同地点用混合和静力扩散云室又做了同步观测。对取得的资料进行整理分析，得出了凝华核浓度在不同天气背景下占总冰核浓度的百分比，两种云室测值的对应关系；分析了扩散云室的容积效应及冰核浓度随气压、能见度等气象因子的变化。