Atomistic calculations of structural and elastic properties of serpentine minerals: the case of lizardite

The physical properties of the hydrous phyllosilicate lizardite have been investigated by atomistic simulation using the GULP code based on transferable semi-empirical interatomic potentials. Lizardite behavior was first investigated during structure relaxation at room temperature. The Helmholtz free energy is minimum for an equilibrium structure that is in agreement with experiment. The bulk, shear, and Young modulii for lizardite were calculated along with the Poisson ratio. From the shear and bulk modulii, we also calculated translational and longitudinal acoustic wave velocities that are important quantities for tectonophysics models. As expected, lizardite is stiffer in the a direction parallel to the layers than in the c perpendicular direction; the variation of the unit cell parameters with pressure is in good agreement with experiment. The cohesive energy between two successive layers along c direction was calculated at 0.33 eV (i.e., 0.11 eV per OH bond) in good agreement with recent ab initio calculations. Upon pressure and temperature variations, we evidenced that structural changes are mainly pressure induced; pressure being accommodated by a decrease of the c parameter up to 10 GPa. We also found that the change of slope in the derivative of the c cell parameter with respect to pressure occurring around 2 GPa originates from the bending of the interlayer hydroxyl groups with respect to the layer normal direction.     

Traction image method for irregular free surface boundaries in finite difference seismic wave simulation

In this study, we propose a new numerical method, named as Traction Image method, to accurately and efficiently implement the traction-free boundary conditions in finite difference simulation in the presence of surface topography. In this algorithm, the computational domain is discretized by boundary-conforming grids, in which the irregular surface is transformed into a 'flat' surface in computational space. Thus, the artefact of staircase approximation to arbitrarily irregular surface can be avoided. Such boundary-conforming gridding is equivalent to a curvilinear coordinate system, in which the first-order partial differential velocity-stress equations are numerically updated by an optimized high-order non-staggered finite difference scheme, that is, DRP/opt MacCormack scheme. To satisfy the free surface boundary conditions, we extend the Stress Image method for planar surface to Traction Image method for arbitrarily irregular surface by antisymmetrically setting the values of normal traction on the grid points above the free surface. This Traction Image method can be efficiently implemented. To validate this new method, we perform numerical tests to several complex models by comparing our results with those computed by other independent accurate methods. Although some of the testing examples have extremely sloped topography, all tested results show an excellent agreement between our results and those from the reference solutions, confirming the validity of our method for modelling seismic waves in the heterogeneous media with arbitrary shape topography. Numerical tests also demonstrate the efficiency of this method. We find about 10 grid points per shortest wavelength is enough to maintain the global accuracy of the simulation. Although the current study is for 2-D P-SV problem, it can be easily extended to 3-D problem.     

库车坳陷侏罗系煤成气动力学模拟研究

应用黄金管—高压釜封闭体系热模拟实验与GC、GC-IRMS分析技术,结合KINETICS专用软件,对库车坳陷侏罗系煤成气进行了动力学模拟研究。库车坳陷侏罗系煤具有高的产气性,在高演化阶段主要产甲烷气;侏罗系煤热解气甲烷碳同位素为-36‰～-25‰,乙烷碳同位素为-28‰～-16‰;甲烷、C2-C5气态烃的生成活化能分别为(47～64k)calm/ol、(55～72k)calm/ol,频率因子各为5.265×1013s-1、5.388×1018s-1。在此基础上,进一步探讨了克拉2气田天然气的成因。研究认为,克拉2气田天然气属阶段捕获的煤成气,主要聚集了5～1Ma时期的天然气,其成熟度Ro分布范围为1.3%～2.5%。     

大洋粘土制备白炭黑后的铝回收实验研究

为了回收大洋粘土制备白炭黑后残液中的Al3 ,并获得氧化铝超细粉体,实验选用NH3.H2O为沉淀剂,在常温下采用沉淀法使残液中Al3 以氢氧化铝形式沉淀并去除其它杂质离子,然后将得到的沉淀在1200℃灼烧,保温1h。利用IR和XRD测试了产物的物相组成和结构,证实实验可以获得纯度较高的α-Al2O3;而SEM和粒度分析结果显示产物粒度细小,部分颗粒可以达到纳米级;BET结果显示Al2O3的比表面积可达32m2/g。根据氧化铝结构和性能等优选的实验条件为大洋粘土的进一步开发利用提供了参考依据。     

甜水海微陆块上二叠系地层的厘定及其特征

笔者在《岔路口》等四幅1：25万区域地质调查工作中，在红山湖一带从前人所划的石炭系地层中解体出一套二叠系地层，并对其进行了详细的岩石地层、生物地层和层序地层研究，拟新命名为红山湖组，时代为中二叠世。该地层为甜水海微陆块上稳定型的碳酸盐岩建造，与陆块南北两侧二叠系特征截然不同。该套地层的发现填补了微陆块上二叠系地层的空白，对古特提斯多岛洋研究具有重要意义。     

基于GIS技术的综合水文物探数据库系统研究

利用GIS的强大空间数据架构功能，将各类水文物探数据与空间数据相关联，建立了基于GIS技术的综合水文物探系统。水文物探数据量大，而且复杂多变，本系统利用新兴的GIS技术和数据库功能对水文物探属性数据与空间数据进行有效的整合，高效地管理空间与属性数据，实现了图形编辑、空间分析、数据的查询与统计、专题图绘制、以及数值模拟等功能。利用本系统可对图形进行空间处理分析，对各类数据进行各种查询，实现图形和数据的互动，并对所获得的数据制作各种专题图，并且通过数值模拟具体、直观的再现观测实体的空间位置与相应的属性，为综合预测与评估提供科学依据。     

滨里海盆地东缘阿克纠宾地区遥感地质及地球物理场研究

 以图像处理、GIS为平台，对哈萨克斯坦阿克纠宾地区的重、磁、电、遥感及地震资料进行了综合分析。指出，该地区重、磁力资料信息含量较高，对于确定盐下构造分布具有积极意义。使用遥感资料对小断层及裂隙发育状况进行研究，有助于裂隙孔隙型碳酸盐岩油藏开发注水效率的提高。同时可对扎纳若尔、阿里别克莫拉等油田的井网状况进行监控和地面设施进行调查。     

On Extending The Flux-Profile Similarity Theory To Include Quasi-Homogeneous Conditions In The Marine Atmospheric Surface Layer

In order to apply Monin–Obukhov similarity theory to estimatethe profiles of mean quantities and surface fluxes from bulk meteorological parameters, the assumptions of homogeneityand stationarity must be valid. Unfortunately, in coastal zones as well as many other regions of interest, theseassumptions are often violated. In this paper, an extension to the theory is presented that considers systematically varyingstate variables. Along-wind variations of windspeed, atmospheric stratification, and roughness are examined with respectto their relative importance to momentum flux divergence, and the drag coefficient is shown to be systematicallylower in coastal zones. For profiles of scalars, an analysis of the set of quasi-homogeneous terms is only speculated,and the relative importance for the terms will strongly depend on which scalar is of interest.     

Evolution of the fogwater composition in Strasbourg (France) from 1990 to 1999

The chemical composition of fogwater has been studied in the city of Strasbourg (France) from 1990 to 1999. During these years, fogwater samples have been collected and analysed for major ions and trace metals. This paper reports on the analysis of the collected dataset. The analysis revealed a significant decrease in acidity of approximately one pH unit over the course of the study. This decrease in acidity appears to be linked to a decrease in SO_2(g) and the resulting SO₄²⁻. Trace metal concentrations have also strongly decreased over the 10-year period. Pb concentrations, following the elimination of leaded gasoline, decreased by more than one order of magnitude.     

Soluble organic compounds in fog and cloud droplets: what have we learned over the past few years?

We have recently set up a new procedure for characterising the water soluble organic compounds (WSOC) in fog water, for which information is still rather limited. Fog samples collected during the 1998–1999 fall–winter season in the Po Valley (Italy) were analysed following this procedure, which allows a quantitative determination of three main classes of organic compounds (neutral species, mono- and di-carboxylic acids, polycarboxylic acids), together accounting for ca. 85% of the total WSOC. This procedure also provides information on the main chemical characteristics of these three classes of compounds (functional groups, aliphatic vs. aromatic character, etc.). The enhanced chemical knowledge on fog/cloud chemical composition opens new scenarios as far as chemical and microphysical processes in clouds and fogs are concerned.