热稳定剂对PVC／PU共混体系性能的影响

本文研究了ＰＶＣ的热稳定剂对ＰＶＣ／ＰＵ共混体系性能的影响．通过红外光谱、热分析和透射电镜等手段探讨造成共混物性能差别的原因．结果表明：金属皂类稳定剂最有利于共混体系的韧性改善,而有机锡化合物、铅盐均不利于提高共混物的缺口冲击强度．不同的稳定剂对共混体系的应力－应变行为影响不大．溶剂抽提和红外光谱结果表明,加工过程中可能导致的化学交联不起显著的作用．动态力学的结果表明,不同的稳定剂体系导致ＰＵ与ＰＶＣ的两相相容性有差别,从而导致共混体系相态结构的差异,透射电镜研究结果证实了这一点．     

一种高质量的2 kb/s语言编码算法MWI

提出一种高质量的低速率语言编码算法ＭＷＩ,该算法对传统的波形插值算法ＷＩ进行了全面的改进。ＭＷＩ采用了一种更加合理的插值模型,包括统一的清音和浊音分析合成模型、新的典型波形的提取和表示方法,并且采用动态规划的算法增加基音周期估计的准确性。由于不依赖于准确的清浊音判别,ＭＷＩ具有更强的抗噪声能力。ＭＷＩ的参数设置也有利于更加有效的参数量化。随着编码速率的下降,ＭＷＩ的质量虽然呈下降的趋势,但在２ｋｂ／ｓ的速率下,它仍然能给出具有很高清晰度和自然度的合成语音。构造的完整的ＭＷＩ２ｋｂ／ｓ的声码器,具有很高的自然度和可懂度。     

New bounds on time and number of processors for multiprocessor optimal schedules

Two problems for task schedules in a multiprocessor parallel system are discussed in this paper:

1. Given a partially ordered set of tasks represented by the vertices of an acyclic directed graph with their corresponding processing times, derive the lower bound on the minimum time(LBMT) needed to process the task graph for a given number of processors.
2. Determine the lower bound on minimum number of processors(LBMP) needed to complete those tasks in minimum time. It is shown that the proposed LBMT is sharper than previously known values and the computational aspects of these bounds are also discussed.

     

A Glivenko-Cantelli lemma and weak convergence for empirical processes of associated sequences

Summary With the help of an extension of Hoeffding's equality, we develop a way for estimating the covariance structures for empirical functions of associated sequences in terms of covariances of the original random variables. Based on these estimations, a Glivenko-Cantelli lemma for associated sequences and weak convergence for empirical processes of stationary associated sequences are obtained, all under the conditions on covariances of the original random variables.This research has been supported partially by a scholarship from the Faculty of Graduate Studies and Research of Carleton University, Ottawa, and by an NSERC Canada grant of M. Csörg     

A metallo-capped polyrotaxane containing calix[4]arenes and cyclodextrins and its highly selective binding for Ca2+

A water-soluble nanometer-scale metallocapped polyrotaxane has been prepared by the inclusion complexation of azo-calixarenes with metallo-bridged bis(beta-CD)s, displaying highly selective binding for Ca(2+).     

Diastereoselective allylation of planar chiral substituted ferrocenecarboxaldehyde: an efficient entry to chiral ferrocenyl ligands

2,2′-Disubstituted ferrocenecarboxaldehydes are subjected to zinc-mediated allylation to form homoallylic ferrocenyl alcohols. The effects of ortho-substituted functional groups on facial selectivities of planar chiral aldehydes were studied and it was found that the corresponding homoallylic alcohols were obtained as single diastereomers in excellent yields.     

A new serratane-type triterpene from Lycopodium phlegmaria

A new serratane-type triterpene, lycophlegmarin (1), has been isolated from Lycopodium phlegmaria L. Four known related triterpenoids were also found from the title plant. The structure of the new compound was elucidated on the basis of detailed spectroscopic analysis and chemical method. Lycophlegmarin exhibited modest growth-inhibitory activity in vitro against human hepatoma cells BEL 7402.     

Intermolecular potential energy surface and spectra of He-HCl with generalization to other rare gas-hydrogen halide complexes

A two-dimensional (rigid monomer) intermolecular potential energy surface (PES) of the He-HCl complex has been obtained from ab initio calculations utilizing the symmetry-adapted perturbation theory (SAPT) and an spdfg basis set including midbond functions. The bond length in HCl was chosen to be equal to the expectation value in the ground vibrational state of isolated HCl. The rigid-monomer potential should be a very good approximation to the complete (three-dimensional) potential for H-Cl distances corresponding to the lowest vibrational levels of the monomer since the He-HCl interaction energy was found to be only weakly dependent on the HCl bond length in this region, at least as compared to systems such as Ar-HF. The calculated points were fitted using an analytic function with ab initio computed asymptotic coefficients. As expected, the complex is loosely bound, with the dispersion energy providing the majority of the attraction. Our SAPT PES agrees with the semiempirical PES of Willey et al. [J. Chem. Phys. 96, 898 (1992)], in finding that, atypically for rare gas-hydrogen halide complexes including the lighter halide atoms, the global minimum is on the Cl side (with intermonomer separation 3.35 A and depth of 32.8 cm(-1)), rather than on the H side, where there is only a local minimum (3.85 A, 30.8 cm(-1)). The ordering of the minima was confirmed by single-point calculations in larger basis sets and complete basis set extrapolations, and also using higher levels of theory. We show that the opposite findings in the recent calculations of Zhang and Shi [J. Mol. Struct: THEOCHEM 589, 89 (2002)] are due to the lack of midbond functions in their basis set. Despite the closeness in depth of the two linear minima, the existence of a relatively high barrier between them invalidates the assumption of isotropy, a feature of some literature potentials. The trends concerning the locations of minima within the family of rare gas-hydrogen halide complexes are rationalized in terms of the physical components of the intermolecular forces and related to monomer properties. The accuracy of the SAPT PES was tested by performing calculations of rovibrational levels. The transition frequencies obtained were found to be in excellent agreement (to within 0.02 cm(-1)) with the measurements of Lovejoy and Nesbitt [J. Chem. Phys. 93, 5387 (1990)]. The SAPT PES predicts a dissociation energy for the complex of 7.74 cm(-1) which is probably more accurate than the experimental value of 10.1+/-1.2 cm(-1). Our analysis of the ground-state rovibrational wave function shows that the He-HCl configuration is favored over the He-ClH configuration despite the ordering of minima. This is due to the greater volume of the well in the former case. We have also determined positions and widths of three low-lying resonance states through scattering calculations. These predictions are expected to be more accurate than values derived from experiment.     

Porous nanocomposites of zirconium dioxide and silicate

Highly porous nanocomposites of zirconium dioxide and silicate are synthesised in an aqueous system from an inorganic salt of zirconium; the nanacomposites, with tailorable pore structures, exhibit superior performance as catalyst supports.