Atomistic packing models for experimentally investigated swelling states induced by CO2 in glassy polysulfone and poly(ether sulfone)

Atomistic packing models have been created, which help to better understand the experimentally observed swelling behavior of glassy polysulfone and poly (ether sulfone), under CO₂ gas pressures up to 50 bar at 308 K. The experimental characterization includes the measurement of the time‐dependent volume dilation of the polymer samples after a pressure step and the determination of the corresponding gas concentrations by gravimetric gas‐sorption measurements. The models obtained by force‐field‐based molecular mechanics and molecular dynamics methods allow a detailed atomistic analysis of representative swelling states of polymer/gas systems, with respect to the dilation of the matrix. Also, changes of free volume distribution and backbone mobility are accessible. The behavior of gas molecules in unswollen and swollen polymer matrices is characterized in terms of sorption, diffusion, and plasticization. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 1874–1897, 2006     

Photo-Absorption and photochemical decomposition of copper and alkaline-earth ß-diketonates as source gases of high-Tc superconducting films

For low-temperature deposition of oxide films relating to Bi-Sr-Ca-Cu-O superconductors, photo-absorption and -decomposition properties were examined with respect to copper and alkaline-earth ß-diketonates. It was confirmed that all ß-diketonates examined were promising as source materials for photochemical vapour deposition (photo-CVD) using a low-pressure mercury lamp, in view of their large light absorption coefficients at wavelength 254 nm. The light irradiation was effective for the formation of highly crystalline oxide films at temperatures below 600 °C. By combining two sources, Ca₂CuO₃ and SrCuO₂ films were prepared. Photo-CVD of c-axis oriented Bi₂Sr₂CuO_x film was achieved by the irradiation of ternary sources of Bi(C₆H₅)₃ and strontium and copper ß-diketonates at 500 °C.     

泊松类型方程边界元解法

本文采用高阶拉普拉斯算子基本解将泊松类型方程的区域积分全部变换成边界积分，使计算问题的维数减少一维．通过斯托克斯方程的算例，表明本文所用的方法是有效的方法。     

Winning controllers and regions in competitive nonlinear dynamic games with two qualitative objectives and uncertain information

The Liapunov technique has been introduced in differential games in a sequence of works over the last decade. We discuss application of this technique to the interface between two competitive semi-games, each with different qualitative objective. The feedback information for controllers is provided from designed, analytically integrable state predictors with reduced dynamics, which considerably shortens the computing time. The case is illustrated on the scenario of target reaching before being intercepted, and intercepting before target is reached.Deceased.     

Synthesis and optical properties of metal-centered dimeric fullerene macromolecules

Dimeric fullerene macromolecules were prepared via the complexation of two fullerenylated 2,2′:6′,2″-terpyridine ligands with Fe(II) and Co(II) ions. The solubility of these macromolecules in some organic solvents allowed both their structural characterization and a study of their optical properties. The electronic absorption and emission of the macromolecules in solution were evaluated; and the results indicated no meaningful ground-state and excited singlet state intramolecular charge transfer interactions. However, the laser flash photolysis results could be explained in terms of the electron transfer quenching of the excited triplet methanofullerene moiety by the center metal–ligand complex in the macromolecules. The optical limiting properties of the macromolecules in solution were also investigated in comparison with those of the ligands for an evaluation of the complexation effects.     

A fast atom bombardment mass spectrometric analysis of crown ether complexes [1]

Analyses of crown ether complexes of alkali metal ions and characterization of the complexes formed inm-nitrobenzyl alcohol have been carried out by fast atom bombardment (FAB) mass spectrometry. By using m-nitrobenzyl alcohol as a matrix for measurements, the stoichiometry of the complexes was assessed on the basis of the observed FAB peaks. In addition, the formation of crown ether-alkali metal complexes at a 2 : 1 molar ratio was enhanced by increasing the ionic radius of the metal ion in agreement with previous observations. On these grounds, FAB mass spectrometry may provide a rapid means for investigation of the complexation behavior of crown ethers and the stoichiometry of the complexes.     

双齿配位过渡金属化合物化学——Ⅲ.钒的邻巯基苯酚配合物的顺磁谱研究

测定了二个顺磁性化合物(Ph_1P)[V_2(mp)_6](Ⅰ)和(Ph_4P)_2[NaV(mp)_3 (MeCN)(MeOH)](Ⅱ)(H_2mp=邻巯基苯酚,o-HO_1C_6H_4SH)的固态和/或溶液中的顺磁波谱。(Ⅰ)的77K固态谱及(Ⅱ)的室温固态谱均经模拟计算,认为它们的钒原子处在S=l/2的Ⅰ=7/2状态,(Ⅱ)的低温(77K)溶液谱(乙腈)与Ⅱ的固态谱相同,均有特征的八条精细结构,认为非配对电子基本上定域在钒原子的周围。     

A numerical study of an unsteady laminar flow in a doubly constricted 3D vessel

Unsteady flow dynamics in doubly constricted 3D vessels have been investigated under pulsatile flow conditions for a full cycle of period T. The coupled non‐linear partial differential equations governing the mass and momentum of a viscous incompressible fluid has been numerically analyzed by a time accurate Finite Volume Scheme in an implicit Euler time marching setting. Roe's flux difference splitting of non‐linear terms and the pseudo‐compressibility technique employed in the current numerical scheme makes it robust both in space and time. Computational experiments are carried out to assess the influence of Reynolds' number and the spacing between two mild constrictions on the pressure drop across the constrictions. The study reveals that the pressure drop across a series of mild constrictions can get physiologically critical and is also found to be sensitive both to the spacing between the constrictions and the oscillatory nature of the inflow profile. The flow separation zone on the downstream constriction is seen to detach from the diverging wall of the constriction leading to vortex shedding with 3D features earlier than that on the wall in the spacing between the two constrictions. Copyright © 2002 John Wiley & Sons, Ltd.     

系统动力学模型结构分析中表函数的改进方法

分析了非线性系统动力学(SD)模型中表函数环节的传统表示方法,指出该方法对于进行SD模型的结构分析所造成的障碍,并提出了用牛顿插值的承袭性算法来改进表函数环节的表示方法的思路.接着分别介绍了用差商和差分牛顿插值法改进表函数的过程.最后,通过一个实例说明了表函数改进的方法,并展示了以此为基础进行结构分析的思路.     

Certain condition on the second fundamental form of CR submanifolds of maximal CR dimension of complex Euclidean space

We treat m-dimensional real submanifolds M of complex space forms ̿M when the maximal holomorphic tangent subspace is (m−1)-dimensional. On these manifolds there exists an almost contact structure F which is naturally induced from the ambient space and in this paper we study the condition h(FX,Y)−h(X,FY) = g(FX,Y)η, η∊ T⊥(M), on the structure F and on the second fundamental form h of these submanifolds. Especially when the ambient space ̿M is a complex Euclidean space, we obtain a complete classification of submanifolds M which satisfy these conditions.Mathematics Subject Classifications (2000): 53C15, 53C40, 53B20.