Hollow Pd/MOF Nanosphere with Double Shells as Multifunctional Catalyst for Hydrogenation Reaction

A new type of hollow nanostructure featured double metal‐organic frameworks shells with metal nanoparticles (MNPs) is designed and fabricated by the methods of ship in a bottle and bottle around the ship. The nanostructure material, hereinafter denoted as Void@HKUST‐1/Pd@ZIF‐8, is confirmed by the analyses of photograph, transmission electron microscopy, scanning electron microscopy, powder X‐ray diffraction, inductively coupled plasma, and N₂ sorption. It possesses various multifunctionally structural characteristics such as hollow cavity which can improve mass transfer, the adjacent of the inner HKUST‐1 shell to the void which enables the matrix of the shell to host and well disperse MNPs, and an outer ZIF‐8 shell which acts as protective layer against the leaching of MNPs and a sieve to guarantee molecular‐size selectivity. This makes the material eligible candidates for the heterogeneous catalyst. As a proof of concept, the liquid‐phase hydrogenation of olefins with different molecular sizes as a model reaction is employed. It demonstrates the efficient catalytic activity and size‐selectivity of Void@HKUST‐1/Pd@ZIF‐8.     

Avoiding negative elastic moduli when using Lagrange interpolation for material grading in finite element analysis

Polynomial interpolations, one of the most common interpolations used in finite element methods (FEMs), are a workhorse of many FEM codes. These interpolations are readily available for all kinds of elements, and using them for modeling the variation of elastic moduli in graded elements is thus both convenient and natural. Yet, like all polynomial interpolations, they can be prone to oscillations that can result in regions of negative elastic modulus in the element, even with only positive nodal values of elastic moduli. The result of these negative modulus regions, even if the region is small, can be unexpected singularities in the solution. This defeats the purpose of using polynomial interpolations for capturing material grading in the element. We demonstrate the issue using three-node quadratic Lagrange interpolations of material grading in otherwise isoparametric p-type elements and show how to avoid this problem.     

Array SSL VPN如何保障番禺有线办公网的安全运行

企业办公自动化系统的应用十分广泛,随着互联网的高速发展,WEB应用成为主流,OA系统在互联网上的延伸成为大趋势,本文阐述在WEB应用中如何保障数据和系统安全的手段和方法。     

Structures and spectroscopic properties of nonperipherally and peripherally substituted metal-free phthalocyanines: a substitution effect study based on density functional theory calculations

The molecular structures, molecular orbitals, atomic charges, electronic absorption spectra, and infrared (IR) and Raman spectra of a series of substituted metal-free phthalocyanine compounds with four (1, 3, 5, 7) or eight (2, 4, 6, 8) methoxyl (1, 2, 5, 6) or methylthio groups (3, 4, 7, 8) on the nonperipheral (1-4) or peripheral positions (5-8) of the phthalocyanine ring are studied by density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. The calculated structural parameters and simulated electronic absorption and IR spectra are compared with the X-ray crystallography structures and the experimentally observed electronic absorption and IR spectra of the similar molecules, and good agreement between the calculated and experimental results is found. The substitution of the methoxyl or methylthio groups at the nonperipheral positions of the phthalocyanine ring has obvious effects on the molecular structure and spectroscopic properties of the metal-free phthalocyanine. Nonperipheral substitution has a more significant influence than peripheral substitution. The substitution effect increases with an increase in the number of substituents. The methylthio group shows more significant influence than the methoxyl group, despite the stronger electron-donating property of the methoxyl group than the methylthio group. The octa-methylthio-substituted metal-free phthalocyanine compounds have nonplanar structures whose low-lying occupied molecular orbitals and electronic absorption spectra are significantly changed by the substituents. The present systematical study will be helpful for understanding the relationship between structures and properties in phthalocyanine compounds and designing phthalocyanines with typical properties.     

A comment on “Using locally estimated geodesic distance to optimize neighborhood graph for isometric data embedding”

A geodesic distance-based approach to build the neighborhood graph for isometric embedding is proposed to deal with the highly twisted and folded manifold by Wen et al. [Using locally estimated geodesic distance to optimize neighborhood graph for isometric data embedding, Pattern Recognition 41 (2008) 2226-2236]. This comment is to identify the error in their example and the ineffectiveness of their algorithm.     

电子商务安全隐患及其对策

分析了电子商务的安全需求、面临的主要安全问题,并在对入侵行为进行分类研究的基础上,对电子商务活动流程的描述和脆弱点分析中研究了其安全对策.     

基于双链式存储的可靠通信网合并

本文介绍图的双链式存储结构在可靠通讯网合并算法中的应用.     

Research and Implementation of Task Management Model in Product Development Process Management

The implementation of product development process management (PDPM) is an effective means of developing products with higher quality in shorter lead time. It is argued in this paper that product, data, person and activity are basic factors in PDPM With detailed analysis of these basic factors and their relations in product developmed process, all product development activities are considered as tasks and the management of product development process is regarded as the management of task execution A task decomposition based product development model is proposed with methods of constructing task relation matrix from layer model and constraint model resulted from task decomposition. An algorithm for constructing directed task graph is given and is used in the management of tasks. Finally, the usage and limitation of the proposed PDPM model is given with further work proposed.