Quadratically constrained minimum cross-entropy analysis

Quadratically constrained minimum cross-entropy problem has recently been studied by Zhang and Brockett through an elaborately constructed dual. In this paper, we take a geometric programming approach to analyze this problem. Unlike Zhang and Brockett, we separate the probability constraint from general quadratic constraints and use two simple geometric inequalities to derive its dual problem. Furthermore, by using the dual perturbation method, we directly prove the strong duality theorem and derive a dual-to-primal conversion formula. As a by-product, the perturbation proof gives us insights to develop a computation procedure that avoids dual non-differentiability and allows us to use a general purpose optimizer to find an-optimal solution for the quadratically constrained minimum cross-entropy analysis.     

The dynamics of multidimensional cosmological models in the presence of quantum effects. I. The case FRW ×T D at high temperatures

The dynamical system approach is applied to the study of dynamics of multidimensional cosmological models with topology FRW ×T ^D (D-dimensional torus) in the presence of high-temperature quantum effects. The stability methods developed in the paper of Szydowski (Gen. Rel. Grav.,20, 221, 1988) are used in the analysis of typical states of the metric in the neighborhood of singularities and for large time values. The problems of dynamical dimensional reduction, structure of singularities, isotropization, etc., are discussed in this context.     

含羧基聚有机硅氧烷—PEO复合物与LiCF3SO3复合膜的离子传导性

本文研究了含羧基聚有机硅氧烷——PEO复合物与LiCF_3SO_3复合膜的离子传导性能。实验结果表明,利用PEO与含羧基聚有机硅氧烷复合的方法能进一步提高含羧基聚有机硅氧烷—Li~+固体电解质膜的离子传导性。此复合膜在室温下的离子导电率可达10~(-5)S cm~(-1)。本文还研究了复合膜中所用PEO的分子量、PEO用量,LiCF_3SO_3含量、交联剂用量及温度对复合膜离子传导性的影响。     

Electronic properties of polyoxometalates: a DFT study of alpha/beta-[XM(12)O(40)](n-) relative stability (M=W, Mo and X a main group element)

Keggin heteropolyanions [XM(12)O(40)](n-) have various isomeric structures, alpha and beta being the most common. Conventionally, the alpha structure appears to be the most stable, but calculations carried out at the DFT level for X = P(V), Si(IV), Al(III), As(V), Ge(IV), and Ga(III) and M = W(VI) and Mo(VI) show that this stability depends on several factors, particularly on the nature of the heteroatom (X) and the total charge of the cluster. In this paper, we apply the clathrate model to the Keggin molecule to carry out a fragment-interaction study to elucidate when and why the traditional relative stability of various isomers can be inverted. The fully oxidized anions that have inverted the traditional stability trend in this series are [AlW(12)O(40)](5-) and [GaW(12)O(40)](5-), both of which contain a third-group heteroatom and an overall charge of -5. beta-isomers are always more easily reduced than alpha-isomers. This experimental observation suggests that reduction favors the stability of beta-isomers and one of the most important results of this study is that the alpha/beta inversion is achieved in most cases after the second reduction. The alpha- and beta-isomers may have different properties because the energy of the LUMO, a symmetry-adapted d(xy)-metal orbital, is different.     

纳米氧化铜的制备及常温脱硫效能研究

采用硝酸铜为原料、氢氧化钠溶液为沉淀剂、使用体积比为1∶1的乙醇-水溶液为分散剂的直接沉淀法制备，通过改变工艺条件得到了三种纳米氧化铜产品，平均粒径分别为25.63，10.74和7.57 nm。采用TG-DTA、FIR、XRD和TEM等对纳米氧化铜进行表征。对产品的常温脱硫活性进行了穿透试验，并与已开发的其他常温精脱硫产品进行了比较，结果表明纳米氧化铜应用于H₂S脱硫，可在常温条件下具有优异的脱硫活性，对H₂S的脱除精度可以达到0.05 mg·m^-3以下。经过优选，产品在3 000 h^-1空速下穿透硫容达到25.3%，高于同类型的其他脱硫剂产品。     

聚合物-金属纳米复合材料的制备与应用

综述了聚合物-金属纳米复合材料的制备方法，包括原位形成法、沉积法、离子注入法、辐射化学法、光照化学法、直接分散法、球磨法；介绍了聚合物．金属纳米复合材料的应用领域，最后展望了这种材料的发展前景。     

Ni-SDC固体氧化物燃料电池阳极的合成和性质

采用柠檬酸-硝酸盐溶胶-凝胶低温自蔓延燃烧法制备氧化镍（NiO）粉末和Ce0.8Sm0.2O1.9（SDC）粉末，并将NiO与SDC按不同质量比和不同制备工艺制备了固体氧化物燃料电池（SOFC）的阳极前身。再用自组装的还原装置将其在820℃经2．5h还原后，采用四端子法测量其电导率值。分析了阳极片电导率与阳极片微结构、Ni的质量百分数、混合研磨时间及烧结温度之间的关系。结果显示，阳极片的电导率强烈依赖于镍含量和制备工艺。     

聚（3—丁基噻吩）电导的热稳定性

研究了导电聚合物聚（３－丁基噻吩）（ＰＢＴ）在大气环境下的导电热稳定性。在室温至２２０℃范围内，测试电导率随时间及温度的变化。ＴＧＡ分析以及化学分析的结果表明：掺杂态的ＰＢＴ大约在１４０℃附近有一转化温度，低于或高于这一转化温度，电导率下降的决定因素各不相同。高于转化温度时，电导率下降的主要原因是反离子和高分子主链的解离，进而发生化学反应，影响了高分子主链的结构。ＸＰＳ测试结果表明：经热处理后的Ｐ     

Phase Analysis of the Binary System of Cryolite (Na3AlF6) and Sodium Metasilicate (Na2SiO3)

The phase analysis of cryolite (Na₃AlF₆) and sodium metasilicate (Na₂SiO₃) was performed by thermal analysis. The eutectic system with a region of two immiscible substances at a concentration of Na₂SiO₃ between 42.8 and 46.3 mol‐% was identified and the eutectic temperature determined to (886±2) °C. Based on the results of mass‐loss measurements, it was assumed that the introduced Na₂SiO₃ reacts with Na₃AlF₆ due to the formation of some nonvolatile stable compounds. The stable reaction products were identified by X‐ray diffraction analysis and IR spectroscopy of the spontaneously cooled samples, which established the formation of NaF and stable amorphous aluminosilicate compounds.     

One-carbon homologation of carboxylic acids via BtCH(2)TMS: a safe alternative to the Arndt--Eistert reaction

Carboxylic acids are converted into the corresponding homologated acids or esters, using easily available 1-(trimethylsilylmethyl)benzotriazole (1) as a one-carbon synthon. The effectiveness of the reaction has been investigated on six aryl and seven alkyl carboxylic acids.