Annealing effect on adhesion properties of poly(butylene terephthalate)

Injection-molded poly(butylene terephthalate) (PBT) is generally annealed at a temperature above the operating temperature to remove residual internal stress and obtain high-dimensional stability. However, this annealing treatment causes poor adhesion property and affected quality and lifetime for the products. In this study, a plausible mechanism for why such problems are caused by the annealing treatment is proposed using additive free PBT. After PBT was annealed under given conditions, surface structure and adhesion strength with an epoxy adhesive were examined. Surface roughness of the PBT film monotonically increased with increasing annealing time, and the tensile adhesive strength concurrently decreased. In addition, the height difference between hill and valley of the surface after adhesive failure became larger, meaning that the failure took place in the PBT phase beneath the interface with the epoxy region. Based on these findings, it was claimed that the poor adhesion of PBT after the annealing treatment originated from a weak boundary layer, which was formed at the outermost surface of PBT. Finally, the presence of the weak boundary layer was directly confirmed by transmission electron microscopy.     

分子阻障内旋转的配分函数

本文用WIGNER-KIRKWOOD微扰展开法来推导分子阻障内旋转配分函数的近似表示式,准确到h[2]项,所得公式只包含两个参量(即分子自由旋转配分函数Qf和势垒高度UO与kT之比值)并可用BESSEL函数来表示,数值计算结果表明,在内旋转转动惯量较大,温度较高这一实用上最为重要的范围内,根据本文中所得公式,对任意的Qf值和U0/kT值,可直接算得阻障势能所产生的熵的修正值(Sir-Srir)/k,比用数值求解法较为简单而准确,如计及微扰展开的高次项,还可以在整个温度范围内取得良好的数值结果。不仅如此,本文所得出的解析公式容易推广到多维运动的情况中去,因此较PITZER的数值求解法具有更普遍的意义。     

异吲唑硝基取代衍生物的HEI2光电子能谱——-"轨道换向"现象的又一例证

The HeIα PES of indazole (1a), 3-bromoindazole (2a) and their isomeric nitro derivatives 1b-e and 2b-e have been recorded. It has been found that the lowest π^-^1 ionization energies (I1)^m, (I2)^m are moved towards higher energies under the influence of the nitro group, but that there is no significant dependence of the size of the shifts (ΔI1)^m, (ΔI2)^m on the position of the group. The result, which is at variance with the predications derived from a naive perturbation treatment based on the π orbitals of 1a, has been explained as being due to "orbital switching" in the substituted derivatives.     

The nonlinear boundary value problem for a class of integro-differential system

In this paper, using the theory of differential inequalities, we study the nonlinear boundary value problem for a class of integro-differential system. Under appropriate assumptions, the existence of solution is proved and the uniformly valid asymptotic expansions for arbitrary n-th order approximation and the estimation of remainder term are obtained simply and conveniently.     

乙硼烷的简正振动频率和光谱熵

本文用群论方法讨论了Coriolis微扰,认为950cm~(-1)为ν_9是合理的.按非刚性转子-谐振子模型,采用直接加和法计算转动、振动配分函数.应用Cromemco微处理机计算了100～2500K范围内~(10)B_2H_6和~(11)B_2H_6的光谱熵.     

Interface Shear Stress Analysis of Bond FRP Tendon Anchorage under Different Boundary Conditions

This article describes a study of an analytic interfacial stresses solution of FRP bond tendon anchorage, under different boundary conditions. The analytic solution was obtained with the cohesive zone model (CZM): the concept of the minimum relative interface displacement s _mis introduced and used as the fundamental variable to express all other parameters. The presented analytic solution agrees well with the result of experiment and that of finite element analysis (FEA). Furthermore, the interface shear stress distributions under two kinds of boundary conditions are discussed. It is indicated that the boundary conditions affected distribution of interfacial stress greatly. Under different boundary conditions, at the same load level, the peak interface shear stress corresponding to the first boundary condition is smaller than it is corresponding to the second boundary condition. The FRP tendon anchor under the first boundary condition can alleviate the peak bond stress, resulting in better uniformity in bond stress distribution.     

WEIGHTED HOLOMORPHIC BESOV SPACES AND THEIR BOUNDARY VALUES

We study weighted holomorphic Besov spaces and their boundary values. Under certain restrictions on the weighted function and parameters, we establish the equivalent norms for holomorphic functions in terms of their boundary functions. Some results about embedding and interpolation are also included.     

Hydroxamate类抑制剂与MMP-3的结合自由能的计算

用自由能微扰方法(FEP)计算了两种hydroxamate类的抑制剂和MMP-3的相对结合自由能。在计算中,对于催化区的锌离子与其共价结合的配体(包括抑制和组氨酸)采用了键合的模型,抑制剂和周围配体的部分电荷的计算采用两步静电势收敛方法。自由能计算采用了慢增长(Slowgrowth)和固定窗口增长(Fixedwidthwindowgrowth)两种方法,并且在每次计算中都采用了双向采样(Double-widesampling)的策略。两种方法计算得到的相对结合自由能都能和实验值很好的符合。同时从动力学模拟的得到的分子轨迹得到了抑制剂和受体之间相互作用模式,抑制剂的P1部分可以和受体的S1'口袋形成很强范德华和疏水相互作用,P1上的苯环可以和Tyr223上的苯环形成较好的π键堆积相互作用。     

(CX3)2Y型分子内旋转能谱的微扰近似解

将(CX3)2Y型分子内旋转Hamilton去耦, 应用无波函数微扰理论, 导出内旋转能谱的微扰近似解, 对(CH3)2S的扭转频率计算与实验很好符合。     

(+)-樟脑缩苄胺体系的不对称羰基加成反应

本文通过(+)-樟脑缩苄胺(I)与不同醛、酮的不对称加成, 经转氨合成了1,2-取代-2-氨基乙醇(2), 反应的非对映选择性经NMR测定为16-70%de.; 苏式、赤式异构体的含量比由HPLC法测定, 其值接近1, 由于立体位阻的原因加成反应发生在锂化物3的Re面。