Materials modelling: A bridge from atoms to bulk properties

The use of molecular-level materials modelling techniques in the development of advanced performance polymers is discussed, with particular emphasis upon bridging the large difference in the scales of dimensions between atomic structure and fabricated parts. The advantages and disadvantages of bulk quantitative structure-property relations and atomistic modelling are assessed, and the method of group interaction modelling is suggested as a means of bridging the dimensional scales.After a brief introduction to the concept of group interaction modelling, examples of modelling the engineering properties of polymers are presented which are difficult to model quantitatively by any other means. The important phase transitions from the crystal and glassy states of matter to those of rubber- and liquidlike states are shown quantitatively to be due to the same isoenergetic condition. The viscoelastic properties of a polymer are critical for many applications and expressions are derived for the loss and storage components of the complex modulus, with reference to failure initiation conditions. The effect of crosslinking in thermosets upon the glass transition temperature and viscoelastic properties is outlined. Finally, the scaling of time from atomic vibrations to the years involved in creep and ageing effects are discussed.     

分子印迹技术及其应用

分子印迹技术是将高分子科学、材料科学、生物学、化学工程等有机集成。基于分子印迹技术所制备的分子印迹聚合物具有选择性高、稳定性好、应用范围广等特点 ,近年来得到了日益广泛和深入的研究。介绍了分子印迹技术的原理、分子印迹聚合物的制备方法、分子印迹技术的应用场合和实例 ,并简要预测了分子印迹技术领域未来的发展趋势。     

濮城油田东西区沙二下顶面微构造特征与剩余油分布

濮城油田沙二下是一个被断层复杂化了的断块型油气藏，通过对储层的精细描述表明，各砂岩组顶面微构造发育，其成因有2种，与构造作用有关的微构造及与构造作用无关的微构造，前者规模较大，后者规模通常较小，根据微构造的起伏变化和形态，可分为3类：正向微构造，负向微构造，斜面微构造，正向微构造是油气富集与控制剩余油分布的重要微构造。     

Quantum chemical studies of Li cation binding to polyalkyloxides

A quantum chemical study of the binding of Li⁺ cation to polyalkyloxides has been carried out. The lithium cation interaction with three polyalkyloxides (polyethylene oxide (PEO), polytrimethylene oxide (PTMO), and polypropylene oxide (PPO)) has been investigated using ab initio molecular orbital theory at the HF/6-31G^* level with molecular models for the polymers. Coordination by one to six oxygens was considered. In addition, higher level calculations were carried out using G3(MP2) theory for coordination of Li⁺ by one oxygen. For coordination of lithium by one oxygen, the binding energy ordering is PTMO>PPO>PEO, with PTMO having the largest lithium cation affinity. The same ordering is found for larger coordination numbers with the exception of coordination by six oxygens, where the ordering changes due to the steric interactions.     

广州地铁一号线隧道结构变形监测及成果分析

介绍了广州地铁一号线运营以来的全线隧道结构变形监测 ,分析了隧道结构的安全状况和各种变化规律 ,并对其变形原因进行有益的探讨     

局部设有钢筋砼电梯井墙的设计探讨

本文就局部设有钢筋砼电梯井的工程计算及理论分析，阐明分析了少墙的框剪结构的设计及注意问题。     

Molecular correlations in sheared thermotropic copolyesters showing banded textures

Banded textures produced in a thermotropic liquid crystal polymer by shearing between glass slides are examined by using both transmission electron and polarized light microscopy. The periodic variation in director orientation about the shear axis, as measured by light microscopy, is shown to be distinctly different from that indicated by electron diffraction. Measurements of birefringence and observation of Zernicke phase contrast indicate periodic variations in optical properties of the polymer, in step with the bands. Such effects are accounted for in terms of a synchronous rotation of the planar aromatic groups about the molecular chain axes. Evidence for an out-of-plane component of molecular orientation is also presented.     

全球趋向统一的《粉末冶金零件材料规范》

评述了ISO 5 75 5“烧结金属材料—规范”和美国MPIF标准 35的变迁和趋向统一。阐述了“最小强度值”的意义。说明了我国粉末冶金结构零件材料标准的现状     

Intramolecular crosslinking of poly(vinyl alcohol)

Poly(vinyl alcohol) is crosslinked in dilute solution (c=0.1 wt%) with glutaraldehyde. The reaction product is characterized by viscometry and gel permeation chromatography (g.p.c.). The intrinsic viscosity decreases with increasing degree of crosslinking and does not depend on temperature. G.p.c. reveals that the reaction product is not homogeneous, but consists of a mixture of particles with different sizes, possibly both intra- and intermolecularly crosslinked molecules. The intramolecularly crosslinked molecules are smaller in size than the initial polymer molecules and their size depends on the degree of crosslinking. They possess a narrow particle size distribution even if the initial polymer sample had a broad molecular weight distribution.     

井下沉砂器的研制与应用

针对以往机械防砂工艺存在防细砂困难、造价高和重复利用率低等缺点 ,根据旋流 离心分离原理 ,研制了井下沉砂器。沉砂器由上接头、二级滤砂管、筒体、中间接头、造旋臂、旋流体和下接头组成。中原油田分公司第五采油厂 2 2井次的现场应用表明 ,这种沉砂器可以分离大于 0 0 0 5mm粒径的细砂 ,防砂效果好 ,具有结构简单 ,安装方便 ,加工成本低的特点 ,可以保证出砂井的正常生产 ,延长检泵周期 ,节省作业费用