Catalysis by Ir(III), Rh(III) and Pd(II) metal ions in the oxidation of organic compounds with H2O2

Catalytic activities of three transition metals, as iridium (III) chloride, rhodium (III) chloride and palladium (II) chloride, were compared in the oxidation of six aromatic aldehydes (benzaldehyde, p‐chloro benzaldehyde, p‐nitro benzaldehyde, m‐nitro benzaldehyde, p‐methoxy benzaldehyde and cinnamaldehyde), two hydrocarbons (viz. (anthracene and phenanthrene)) and one aromatic and one cyclic alcohol (cyclohexanol and benzyl alcohol) by 50% H₂O₂. The presence of traces (substrate: catalyst ratio equal to 1:62500 to 1:1961) of the chlorides of iridium(III), rhodium(III) and palladium(II) catalyze these oxidations, resulting in good to excellent yields. It was observed that in most of the cases palladium(II) chloride is the most efficient catalyst. Conditions for the highest and most economical yields were obtained. Deviation from the optimum conditions decreases the yields. Oxidation in aromatic aldehydes is selective at the aldehydeic group only and other groups remain unaffected. This new, simple and economical method, which is environmentally safe, also requires less time. Reactive species of catalysts, existing in the reaction mixture are also discussed. Copyright © 2007 John Wiley & Sons, Ltd.     

Linear least squares problems with data over incomplete grids

The paper addresses bivariate surface fitting problems, where data points lie on the vertices of a rectangular grid. Efficient and stable algorithms can be found in the literature to solve such problems. If data values are missing at some grid points, there exists a computational method for finding a least squares spline by fixing appropriate values for the missing data. We extended this technique to arbitrary least squares problems as well as to linear least squares problems with linear equality constraints. Numerical examples are given to show the effectiveness of the technique presented. AMS subject classification (2000)  65D05, 65D07, 65D10, 65F05, 65F20     

Scattering from infinite rough tubular surfaces

We study the Helmholtz equation in the exterior of an infinite perturbed cylinder with a Dirichlet boundary condition. Existence and uniqueness of solutions are established using the variational technique introduced (SIAM J. Math. Anal. 2005; 37 (2):598–618). We also provide stability estimates with explicit dependence of the constants in terms of the frequency and the perturbed cylinder thickness. Copyright © 2006 John Wiley & Sons, Ltd.     

Growth Behavior of CdS Nanoparticles Embedded in Polymer and Sol-Gel Silica Matrices: Relationship with Surface-State Related Luminescence

Chemical techniques were employed to synthesize CdS nanoparticles embedded in polymer (PEG 300) and sol-gel silica matrices. Systematic growth of particles (radius 3–9 nm) was obtained by adjusting post-deposition annealing temperature and time to examine the dependence of surface-state–related luminescence on particle size. Photoluminescence (PL) peak energy showed a linear dependence with a gentle slope in the weak confinement region and a steep slope in the strong confinement region, the divergence being observed near the excitonic Bohr radius for CdS. The empirical relation proposed for the weak confinement region could be used for estimating chemically prepared CdS nanoparticle size with a high degree of reliability from PL peak energy.     

An efficient calculation algorithm for focusing by plane ultrasonic transducers

In the present paper, we simulate focused wave fields generated by a system of plane transducers used in an immersion ultrasonic technique. The ultrasonic beam penetrates into the elastic medium through the fluid-solid boundary. A real-time computer algorithm is proposed to calculate stress components in the solid medium. It is shown that a good focusing wave structure can be provided by a pair of plane rectangular transducers, inclined with respect to each other and to the beam acoustic axis.     

离子辐照引起的金属／绝缘体界面混合与相变研究

载能离子穿过固体界面引起界面原子迁移使界面原子混合和物质成分变化，从而导致界面发生材料相变。简要介绍了载能离子辐照引起金属／绝缘体界面混合效应及相变现象的主要实验研究进展、低能离子和高能离子辐照引起金属／绝缘体界面现象差异，并对离子辐照引起界面混合及相变的机制进行了初步探讨。When penetrating an interface between two kind of solids, energetic ions can induce atomic diffusion at both sides of the interface and then result in intermixing, atom re-distribution or composition change, as well as phase transformation. Main progress on the study of intermixing and phase change at metal/insulator interface induced by energetic ion irradiations, the difference of phenomena occurred at metal/insulator interfaces induced by high-and low-energy ions were briefly reviewed. Furthermore, the possible mechanisms related to intermixing and phase change at metal/insulator interface produced by energetic ion irradiations were also discussed in short words.     

An existence result for a two‐phase Stefan problem arising in metal casting

We present a model arising from the thermal modelling of two metal casting processes. We consider an enthalpy formulation for this two‐phase Stefan problem in a time varying three‐dimensional domain and consider convective heat transfer in the liquid phase. Then, we introduce a weak formulation in a fixed domain, by means of a suitable transformation. Existence of solution is obtained by applying an abstract theorem. The proof of this theorem is done by taking an implicit discretization in time together with a regularization. By passing to the limit in the regularization parameter and in the time step, we obtain the existence of solution of the continuous problem. Copyright © 2005 John Wiley & Sons, Ltd.     

Theoretical STM images of alkaline-earth metal adsorbed Si(1 1 1)3 × 2 surfaces

We have performed total-energy calculations to study theoretical scanning tunneling microscopy (STM) images of the Si(1 1 1)3 × 2 surfaces induced by the adsorption of alkaline-earth metals (AEMs). Previously, in a series of works on Ba/Si(1 1 1) system, we have found that the observed Si(1 1 1)3 × 1-Ba LEED phase indeed has a 3 × 2 periodicity with a Ba coverage of 1/6 ML and the HCC substrate structure. Based on results of the Ba case, we proposed that the HCC structure is also adopted for other AEM atoms, which was confirmed by our recent work. In this paper, we mainly report the STM simulations for different AEM systems to compare with existing experimental data. We discuss the difference in the detailed STM images for different AEM adsorbates. Especially, the difference in filled-state images between Mg and other AEM atoms is attributed to the strong Mg-Si interaction.     

超声波波型转换与表面波的检测

分析了超声波纵波、横波、表面波3种波型的产生条件和声速关系,检测了超声波在固体表面的波型转换,并测量了声表面波的速度,讨论了声表面波在超声延迟线方面的应用.     

双面金属包覆介质波导模序数的判别方法

在双面金属包覆介质波导中 ,随着介质层厚度的变化 ,会出现TM0 模与TM1 模的分离和简并两种状态 ,从而影响衰减全反射 (ATR)谱中模序数的确认。通过对金属波导的理论分析和实验研究 ,提出了三种模序数确认方法 :本征角计算法、吸收峰全峰半宽比较法和吸收峰峰间距比较法 ,实现了两种状态下对模序数的准确判断