Renewal of basic laws and principles for polar continuum theories （XI）——consistency problems

Some consistency problems existing in continuum field theories are briefly reviewed. Three arts of consistency problems are clarified based on the renewed basic laws for polar continua. The first art discusses the consistency problems between the basic laws for polar continua. The second art discusses the consistency problems between the basic laws for polar continua and for other nonpolar continua. The third art discusses the consistency problems between the basic laws for micropolar continuum theories and the dynamical equations for rigid body. The results presented here can help us to get a deeper understanding the structure of the basic laws for various continuum theories and the interrelations between them. In the meantime, these results obtained show clearly that the consistency problems could not be solved in the framework of traditional basic laws for continuum field theories.     

焦散线法及其与应力“解冻”相结合的应用

详细地阐述了焦散线法原理，对焦散线的形成作了说明，简述了焦散线法在平面问题中的应用，结合笔者研究工作介绍了将焦散线法拓广应用于三维问题的关键技术和实例。     

基于约束概念格的天体光谱局部离群数据挖掘系统

寻找特殊的、未知的天体是人类探索宇宙奥妙所追求的目标之一,天体光谱数据挖掘是实现该目标的一种有效方法。约束概念格是一种新的概念格结构,具有构造效率高、提取知识针对性和实用性强等特点。针对天体光谱数据在特征子空间中的局部偏离,采用VC++ 6.0和Oracle 9i作为开发工具,设计与实现了基于约束概念格的天体光谱局部离群数据挖掘系统,并对软件模块功能和体系结构,以及天体光谱数据预处理、约束概念格构造方法、基于链表结构的概念格构造、局部离群数据挖掘方法等关键技术进行了详细描述。运行结果表明,该系统实现天体光谱数据局部离群数据挖掘是可行的、有价值的,从而为寻找未知的、特殊的天体提供了一种新途径。     

Influence of aspect ratio on the flow above the free end of a surface-mounted finite cylinder

The flow above the free end of a surface-mounted finite-height cylinder was studied in a low-speed wind tunnel using particle image velocimetry (PIV). Velocity measurements were made in vertical and horizontal measurement planes above the free end of finite cylinders of aspect ratios AR = 9, 7, 5 and 3, at a Reynolds number of Re = 4.2 × 10⁴. The relative thickness of the boundary layer on the ground plane was δ/D = 1.7. Flow separating from the leading edge formed a prominent recirculation zone on the free-end surface. The legs of the mean arch vortex contained within the recirculation zone terminate on the free-end surface on either side of the centreline. Separated flow from the leading edge attaches onto the upper surface of the cylinder along a prominent attachment line. Local separation downstream of the leading edge is also induced by the reverse flow and arch vortex circulation within the recirculation zone. As the cylinder aspect ratio is lowered from AR = 9 to AR = 3, the thickness of the recirculation zone increases, the arch vortex centre moves downstream and higher above the free-end surface, the attachment position moves downstream, and the termination points of the arch vortex move upstream. A lowering of the aspect ratio therefore results in accentuated curvature of the arch vortex line. Changes in aspect ratio also influence the vorticity generation in the near-wake region and the shape of the attachment line.     

First and second coordination spheres in 8-azaxanthinato salts of divalent metal aquacomplexes – Ab initio and DFT study

The hydrogen bonding pattern in complexes of the type [M²⁺(H₂O)₆](dmax)₂ (M = Mn, Ni, Co, Zn, Cd, Hdmax = 1,3-dimethyl-8-azaxanthine), [M²⁺(H₂O)₄(py)₂](dmax)₂ (M = Mn, Co, Zn, Cd, py = pyridine) and [M²⁺(dmax)₂(H₂O)₂(py)₂]·2H₂O (M = Ni, Cu) were studied by ab initio (MP2/LANL2DZ//B3LYP/LANL2DZ) and density functional theory methods (B3LYP/LANL2DZ, B3LYP/6-31G^∗∗ and B3PW91/6-31G^∗∗). The investigation includes a variety of theoretical analyses, which include interaction energy, many body analyses, electron density analysis, topological analysis, Mulliken atomic charges, natural atomic charges and harmonic vibrational analysis. The geometrical parameters and vibrational frequencies of dmax (the mono anion of 1,3-dimethyl-8-azaxanthine), [M²⁺(H₂O)₆] (M = Mn, Ni, Co, Zn, Cd), [M²⁺(H₂O)₄·(py)₂] (M = Mn, Co, Zn, Cd) and the complexes, calculated by the theoretical methods, were compared with the recent X-ray crystallographic results and it was observed that the results are found to agree well with the crystallographic results. The present calculations provide an important physicochemical insight into metal cations with 1,3-dimethyl-8-azaxanthine. The results also reveal the active role of coordinated water molecules in modulating the binding of the cation through a specific network of hydrogen bonds. The topology of the motifs generated by these hydrogen bonds has been characterized, adapting to the second coordination sphere concepts usually applied to the first (monodentate, chelate, and bridge) coordination sphere. The optimized structures of the Cd²⁺, Zn²⁺ and Cu²⁺ complexes further interact among themselves in a less tight fashion to generate three dimensional structures (a tape-like hydrogen bond network). Finally these tape-like hydrogen bond network were optimized using the B3LYP/LANL2DZ basis set.     

锂离子选择性微电极在生物体液中的响应

最近几年已报道了几种锂离子选择性电极.本文作者曾研制了以苯基膦酸二辛酯(DOPP)为溶剂,四苯硼酸盐为活性物质的PVC膜锂离子选择电极.本文在此基础上研制了锂离子选择性微电极,比较了以四苯硼酸钾(KTPB)及四苯硼酸钠(NaTPB)为活性物质的锂微电极的性能.同时考察了微电极在细胞内液、血清及生理盐液中对锂离子的响应特性.     

稀土在机动车尾气催化净化中的应用与研究进展

随着我国机动车尾气排放法规日趋严格,对机动车尾气净化催化剂性能提出了更高的要求.稀土元素由于独特的4f电子层结构和储放氧性能等特性,在机动车尾气催化剂中得到广泛应用.本文综述了稀土元素在机动车尾气催化剂中的应用及相关机理研究现状,并依据京V排放法规要求探讨了最新排放限值对尾气净化催化剂性能的要求,分析了稀土在开发高性能催化剂中的作用,并对稀土在机动车尾气净化催化剂中的应用前景进行了展望.     

Synthesis of Bioactive Organic-Inorganic Hybrids with γ-Methacryloxypropyltrimethoxysilane

Bioactive organic-inorganic hybrids were synthesized through sol-gel processing starting from -methacryloxypropyltrimethoxysilane. NMR-spectroscopic studies showed the presence of silanol groups (Si–OH) and Si–O–Si bonds. In vitro tests of the hybrids for bioactivity with a simulated body fluid (Kokubo solution) indicated that only calcium-containing hybrids could form apatite on their surfaces. Thus the presence of calcium ions was no less important to deposit apatite than the formation of silanol groups or Si–O–Si bonds.     

幼儿头发中微量元素含量与身高、体重关系研究

普查了４４９名１－６岁儿童头发中锌、铁、铜、钙、锰、铅含量,用分层聚类分析法对其身高、体重与各元素进行相关分析。幼儿身高与头发中锌含量呈相关关系,与头发中铅含量呈负相关关系。体重与头发中锌含量呈显著的正相关关系。与头发中铅含量呈负相关关系。说明锌有利于身体发育,而铅对身体发育不利。     

Trace elemental determination in alcohol automotive fuel by electrothermal atomic absorption spectrometry

Suitable analytical methodologies were developed allowing direct determination of As, Cu, Fe, Pb, Sb and Sn in alcohol fuel samples by electrothermal atomic absorption spectrometry. Different chemical modification approaches were tested and compared in terms of analytical performance and in practical terms. Experimental conditions were optimized allowing little sample dilution and use of calibration curves prepared with aqueous inorganic analyte standards. Methodologies were tested with analyte spiked alcohol samples. Good analyte recoveries from spiked alcohol samples, precision better than 10% and limits of detection in the sub μg l⁻¹ range were achieved.