含双裂隙岩石裂纹演化机理的离散元数值分析

采用离散单元法探讨了预制双裂隙岩石的裂纹演化机理。用近期从试验资料提取的无胶结厚度含抗转动能力的岩石微观力学模型和相应的离散单元法商业软件,模拟了含不同预制倾角的双裂隙岩石试样在单轴压缩作用下裂纹的扩展与贯通规律,揭示了裂纹演化的宏微观机理。同时,将离散元法DEM岩石试样的裂纹的扩展和贯通规律以及强度特性与室内试验结果进行了比较分析。结果表明,预制裂隙之间以及端点处的拉应力集中是导致裂隙岩石破坏的主要原因,且DEM数值试验得到裂纹的演化规律与室内试验结果较为一致。含30°的预制裂隙的岩石试样最容易起裂,含75°的预制裂隙的岩石试样最困难起裂,造成此种现象的原因可能是裂纹在垂直于主应力方向上的长度不同导致试样受拉区域大小不同。     

弹性各向异性介质岩石体波相速度计算

综述弹性波相速度计算的若干严格数值方法和近似解析方法,对数值算例及对不同方法作了比较.结果显示,不同数值方法得到结果一致,其适用于计算任意复杂各向异性介质岩石的相速度,但不便从物理意义的角度去分析物理参数对速度的影响;而近似解析解虽然精确程度各有不同,但是便于从物理意义的角度去进行速度分析,并在此基础上解析求取群速度这...     

从平衡-封闭-静态转向非平衡-开放-动力学研究-热液矿床成因的若干新概念概述

热液金属矿床成因研究过程中,观测与实验始终是密切结合的。上世纪70年代,平衡热力学的实验数据的快速积累,使人们用热力学理论计算可以预测和反演矿石和岩石的成因。但是,没有矿物-水溶液的反应速率数据,又没有与流体力学的结合,搞清楚矿石成因是困难的。七、八十年代,开始研究矿物与水溶液的反应动力学实验。科学家们开始瞄准了从平衡-封闭-静态转向非平衡-开放-动力学研究的这个大方向。1992年我们建立地球化学动力学开放研究实验室。研究高温高压矿物与水反应速率,发现固液的开放体系的自组织现象。实验发现温度影响矿物的各个元素反应速率改变,发现在跨越水临界态时矿物与水反应速率涨落、在近临界的气-液两相不混溶区一些金属进入气相、超临界流体的氧化作用及特别的溶剂性能影响矿物溶解性质。实验证实:临界态区流体与矿石成因有关。水岩相互作用的反应动力学实验温度从低温到550度,揭示矿石的金属来源、迁移、金属与蚀变分带机制。一大批大于300度的矿物与水反应动力学实验在国际界是少有报道的。九十年代,超高压的科学发展,与同步辐射光源的技术进步的结合,使固体地球科学又迈向了地球深内部。我们发展了高温高压流体性质的原位直测(测量850℃水溶液)红外谱,发现深部流体的新性质:气液两相流体的新结构,在临界温度区(300~400℃),水分子氢键网络的破坏受压力影响不大(23MPa~3GPa),同时,出现水的高电导率。研发新仪器为开放-流动-非平衡的反应动力学实验与极端条件下物质性质的直接观测结合,在科学前沿领域开辟了创新道路。     

Identification and occurrence of novel C36–C54 3,4-dialkylthiophenes with an unusual carbon skeleton in immature sediments

A series of novel long-chain 3,4-dialkylthiophenes (C₃₆–C₅₄) was identified in a number of sediments ranging from Pleistocene to Cretaceous. The identifications were based on mass spectral characterisation, desulphurisation and mass spectral data of synthesised model compounds. These organic sulphur compounds are probably formed by sulphur incorporation into mid-chain dimethylalkadienes with two methylenic double bonds. These putative precursor lipids are unprecedented and may be considered rather unusual. The distribution of 3,4-dialkylthiophenes in sediments varies considerably with the depositional palaeoenvironment, indicating that these compounds have a potential as molecular markers reflecting changes in palaeoenvironment.     

上地幔超高压流体的金刚石压砧实验研究

地球深部流体主要是NaCl-H2O溶液,越到地球深部,它赋存的温度、压力越高,性质状态也不断变化,反之,亦然。当NaCl-H2O流体进入和脱离(上升过程)超临界状态时,其性质会发生截然不同的变化,影响着各种地质过程。使用金刚石压砧在高温高压下原位观测流体的实验,用谱学方法,结合同步辐射光源技术,成为定量化研究地球深部高温超高压流体的有效方法。作者使用同步辐射光源的红外谱研究了10GPa下的NaCl-H2O溶液;在地球化学动力学实验室研究了3GPa,650℃下的NaCl-H2O溶液红外谱,此测量方法可以提供温度压力和体积等数据,能研究其状态。NaCl-H2O溶液红外谱表明水分子主要振动谱受压力和温度影响是不同的。压力增加促使水分子主要振动谱向低波数变化。但是温度增加的效应相反。常温高压下水被压缩,结晶向紧密堆积变化。高温高压下的水有气、液、固和超临界流体各相。水分子间的氢键在近临界态开始减弱,氢键网络被破坏。     

硼酸盐晶体结构与性能关系的价键理论研究进展

硼酸盐晶体结构类型多样,物理和化学性质优良,在国民经济的许多部门应用广泛。随着人们对晶体认识的深入,晶体结构与性能关系的重要性愈加明显。量子化学计算在晶体研究中有重要的地位,但化学键分析方法简便,能定量表述晶体结构与性能关系,特别是在复杂体系研究中有其优势。简述了复杂体系的化学键介电理论,分析了硼酸盐晶体结构与性质关系的研究方法,展望了硼酸盐晶体的价键理论研究前景。     

Modeling 3D thermal fracture propagation by transient cooling using virtual multidimensional internal bonds

Thermal fracturing can play an important role in development of unconventional petroleum and geothermal resources. Thermal fractures can result from the nonlinear deformation of the rock in response to thermal stress related to cold water injection as well as heating. Before the rock reaches the final failure stage, material softening and bulk modulus degradation can cause changes in the thermo‐mechanical properties of the solid. In order to capture this aspect of the rock fracture, a virtual multidimensional internal bond‐based thermo‐mechanical model is derived to track elastic, softening, and the failure stages of the rock in response to the temporal changes of its temperature field. The variations in thermo‐mechanical properties of the rock are derived from a nonlinear constitutive model. To represent the thermo‐mechanical behavior of pre‐existing fractures, the element partition method is employed. Using the model, numerical simulation of 3D thermal fracture propagation in brittle rock is carried out. Results of numerical simulations provide evidence of model verification and illustrate nonlinear thermal response and fracture development in rock under uniform cooling. In addition, fracture coalescence in a cluster of fractures under thermal stress is illustrated, and the process of thermal fracturing from a wellbore is captured. Results underscore the importance of thermal stress in reservoir stimulation and show the effectiveness of the model to predict 3D thermal fracturing. Copyright © 2016 John Wiley & Sons, Ltd.     

水(冰):宇宙矿物

水(冰)是最简单的化合物,也是宇宙中丰度最大的矿物。通常认为,水无嗅、无味,无处不在。然而,液态水或固态水却是异乎寻常的物质。水具有某些其它物质没有的,特别是赋予生命所要求的特殊性质,如氢键、水簇和kosmotrope离子等。本文综述水(冰)的结构、化学性质、物理性质、分布以及与生命的关系。     

井内偏心声源激发的三维声场的数值研究

为了研究环形声波测井仪和扇区水泥胶结测井仪的工作原理,本文利用实轴积分 法计算了井内靠近井壁的偏心声源激发的声场,得到了在井壁不同位置的接收波形,分析了 直达波、井壁反射波、纵波、横波和面波在这些波形中的反映．偏心声源激发的三维声场没有 轴对称性,比井轴上的居中声源的情况复杂．     

Organic pollutants associated with macromolecular soil organic matter: Mode of binding

A study of ether-linked moieties in macromolecular bound residues of polycyclic aromatic hydrocarbons (PAH) generated in bioremediation experiments was performed using high temperature hydrolysis degradation with subsequent analysis of the products by GC-MS. This hydrolysis reaction was specifically designed to cleave ether bonds including relatively stable diarylether structures. Among the reaction products, aromatic alcohols representing typical microbiologically derived metabolites of PAH were found in addition to natural compounds. Thus, parts of the bound residues appeared to be linked within the macromolecular material by ether bonds. Model experiments with an oxidoreductase enzyme and aromatic alcohols indicate the formation of these ether bonds to be an enzyme-catalysed process.