HeI photoelectron spectroscopic (PES) and quantum chemistry study on the dimeric compound of 2(5H) furanone

The He1 photoelectron (PE) spectra of both 2(5H) furanone and itstrans-chair-dimeric-compound (t-c-DFN) are reported. The assignment of the PES bands is made on the basis of band shapes, the PES results of the molecules which have the similar atomic groups, and the restricted Hartree-Fock (RHF) calculations for the molecules studied. From the results of both PES experimental and theoretical calculations, it is proved that the ionization potential (IPS) of the HOMO for the dimeric-compound is lower than that of the HOMO for the monomer. And the total energy computed for thet-c-DFN is the lowest in the four possible configurations of dimeric-compounds of 2(5H) furanone. Therefore the synthesis oft-c-DFN is also the easiest. Project supported by the National Natural Science Foundation of China.     

天然树脂局部结构的径向分布函数研究

本工作用x射线衍射技术分析计算了二种天然树脂的局部结构参数,由测得的衍射强度数据求出了它们的结构因子I(r)和径向分布函数RDF(r),并由此得到了分子链内临近原子和次临近原子平均间距、配位数和短程有序畴。     

分子高激发振动态的动力学特性研究

运用经典哈密顿代数方法,结合单摆的运动特点表示两个化学键之间的振动耦合.对水分子高激发态下两个氧氢键(O—H)伸缩振动动力学的研究结果表明,靠近分界线的中间能级的相空间中较易出现混沌轨道,而较高或较低能级的相空间中则具有比较规则的周期运动 关键词： 高激发振动 共振 混沌     

带有弹性碰撞的离散的凝结方程

带有弹性碰撞的离散的凝结方程是反映粒子增长动力学的数学模型，它刻划了这样一种粒子反应系统；系统中任意两个粒子碰撞后一定的概率或者凝结成为更大的粒子，或者发生弹性碰撞．本文研究了这一系统发生冻肢的可能性，并给出了一个充分条件．     

HL－1装置中LHCD和等离子体参数的关系

本文研究了在ＨＬ－１托卡马克的不同放电阶段的低混杂波驱动特性。给出了驱动电流及驱动效率和等离子体参数，如电子平均密度ｎｅ、等离子体电流Ｉｐ及纵向磁场的关系。也给出和分析了波驱动和入射波功率的关系。在放电平段，对正反向驱动效率进行了研究和比较。     

A note on an SOR-like method for augmented systems

Golub et al. (2001, BIT, 41, 71–85) gave a generalizedsuccessive over-relaxation method for the augmented systems.In this paper, the connection between the SOR-like method andthe preconditioned conjugate gradient (PCG) method for the augmentedsystems is investigated. It is shown that the PCG method isat least as accurate (fast) as the SOR-like method. Numericalexamples demonstrate that the PCG method is much faster thanthe SOR-like method.     

New Synthetic Method for Industrial Manufacture of Glutaric Dialdehyde

A new synthetic method for the manufacture of glutaric dialdehyde is investigated. Glutaric dialdehyde was prepared by the addition-hydrolysis reaction of benzimidazolium salt with saturated dihalide as the di-Grignard reagent. The yield of glutaric dialdehyde by this method can reach 73%. Both infrared spectra and melting point of the compound were consistent with those reported earlier. Translated from Journal of Northwest University (Natural Science Edition), 2005, 35(2) (in Chinese)     

带有边集限制的最均匀支撑树问题

本在无向网络中，建立了带有边集限制的最均匀支撑树问题的网络模型．中首先解决最均匀支撑树问题，并给出求无向网络中最均匀支撑树的多项式时间算法；然后，给出了求无向网络中带有边集限制的最小树多项式时间算法；最后，在已解决的两个问题的基础上解决了带有边集限制的最均匀支撑树问题．     

Formation of β‐iPP in isotactic polypropylene/ethylene–propylene rubber blends: Effects of preparation method,composition, and thermal condition

The effects of preparation method, composition, and thermal condition on formation of β‐iPP in isotactic polypropylene/ethylene–propylene rubber (iPP/EPR) blends were studied using modulated differential scanning calorimeter (MDSC), wide angle X‐ray diffraction (WAXD), and phase contrast microscopy (PCM). It was found that the α‐iPP and β‐iPP can simultaneity form in the melt‐blended samples, whereas only α‐iPP exists in the solution‐blended samples. The results show that the formation of β‐iPP in the melt‐blended samples is related to the crystallization temperature and the β‐iPP generally diminishes and finally vanishes when the crystallization temperature moves far from 125 °C. The phenomena that the lower critical temperature of β‐iPP in iPP/EPR obviously increases to 114 °C and the upper critical temperature decreases to 134 °C indicate the narrowing of temperature interval, facilitating the formation of β‐iPP in iPP/EPR. Furthermore, it was found that the amount of β‐iPP in melt‐blended iPP/EPR samples is dependent on the composition and the maximum amount of β‐iPP formed when the composition of iPP/EPR blends is 85:15 in weight. The results through examining the effect of annealing for iPP/EPR samples at melt state indicate that this annealing may eliminate the susceptibility to β‐crystallization of iPP. However, only α‐iPP can be observed in solution‐blended samples subjected to annealing for different time. The PCM images demonstrate that an obvious phase‐separation happens in both melt‐blended and solution‐blended iPP/EPR samples, implying that compared with the disperse degree of EPR in iPP, the preparation method plays a dominant role in formation of β‐iPP. It is suggested that the origin of formation of β‐iPP results from the thermomechanical history of the EPR component in iPP/EPR. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 1704–1712, 2007     

Clustering study in Eu(DBM)3Phen-doped polymer optical fibers by optical properties and near-field scanning microscopy

The clusters of Eu3+ ion in Eu(DBM)3Phen-doped polymethyl methacrylate (PMMA) have been studied by three means. The relative fluorescence intensity ratio of the 5D0 → 7F2 to 5D0 → 7F1 transitions with different concentrations of Eu3+ in Eu(DBM)3Phen-doped PMMA and metastable-state (5D0) lifetime dependence on Eu3+ concentration are analyzed. The analysis indicates that there are no clustering effects in Eu3+ ions of Eu(DBM)3Phen-doped PMMA when the Eu3+ doping concentration is up to 1.0 wt.-%. At the same time, the clustering effect has not been observed by the scanning near-field optical microscopy (SNOM) in Eu(DBM)3Phen-doped PMMA with 1.0 wt.-% of Eu3+ ions. The analysis reveals that a high concentration of Eu3+ can be incorporated into polymer optical fiber (POF) without clustering effect.OCIS codes: 180.5810, 300.6280, 250.5460, 160.5690.