Theoretical kinetic study of the reaction between dimethyl disulfide and OH radicals

The potential energy profile of the reaction between dimethyl disulfide and OH^? radicals is explored by utilizing ab initio and hybrid meta density functional theory methods. Having the energies and structural data of the stationary points, statistical rate theories, such as transition state theory and variable reaction coordinate-transition state theory, are employed to compute the overall rate constants, and discuss the mechanism and product channels. On the basis of the calculations, the overall rate coefficient is predicted to be 2.49?×?10^?10?cm³?molecule^?1?s^?1 at 298?K. It is found that in the most favorable pathway, the reaction proceeds via formation of the relatively unstable intermediate CH₃S^?(OH)SCH₃ decomposing rapidly to yield CH₃S^?+CH₃SOH.     

Interaction of triton X-100 on silica: A relationship between surface characteristics and adsorption isotherms

Adsorption of Triton X-100 on various silica substrates has been investigated. A number of solids, including a natural quartz, this quartz washed with HCl acid and subsequently heated at 1273 K; two aerosils and one Kieselgel silicas were studied. These solids exhibit surface areas in the range of 5 to 430 m² g^?1. All the Triton adsorption isotherms display an S-shape at the adsorption temperatures studied (298 and 308 K). It has been found that the pretreatments of natural quartz (by water washing, impurities removed by acid and/or high temperature calcination) affect considerably the amounts of TX-100 adsorbed. Measurements of surface composition have been made by X-ray photoelectron spectroscopy (XPS) with particular emphasis on the presence of impurities and on the number of OH groups at the surface of the samples. The nature of the surface hydroxyl has also been studied by infrared spectroscopy. Furthermore, the specific number of hydroxyl groups on the surface of the silica samples has been determined by thermogravimetric analysis. Finally an attempt to correlate solid surface characteristics with adsorption isotherms has been developed.     

Coal liquefaction using a hydrogenated creosote oil solvent: H-atom transfer from hydrogen donor components in the solvent

The presence of hydroaromatic, hydrogen donor components in a coal-derived solvent is one of the more important factors in the successful operation of a non-catalytic coal liquefaction process. Various hydrogen donor species present in a hydrogenated creosote oil have been identified. Their rate of disappearance under conditions that are consistent with a short residence time coal liquefaction process has been used to rank the reactivities of the various hydrogen donors. 1,2,3,10b-Tetrahydrofluoranthene was found to be an exceptional donor while 4,5-dihydropyrene, the hexahydropyrenes and 9,10-dihydrophenanthrene were found to be quite active. Sym.-octahydrophenanthrene and 2a,3,4,5-tetrahydroacenaphthene exhibited moderate activity. Tetralin and the four methyltetralin isomers were found to be unreactive under the coal liquefaction conditions employed.     

羟基磷灰石涂层人工关节的应用研究

采用人工合成高纯度的羟基磷灰石粉末，喷涂在具有注册证的钛合金和钴铬钼合金人工关节上。通过生物学基础检测、动物实验和临床试用，证明所制作的各种羟基磷灰石涂层人工关节，能诱发骨质生长，起生物固定作用，对治疗丧失功能的骨胳效果甚佳。     

TiO_2压敏陶瓷晶粒半导化

本文主要研究 TiO_2陶瓷晶粒半导化的途径及晶粒电阻率的测试方法。实验结果表明,通过掺入Nb_2O_5施主杂质可以有效地降低晶粒电阻率,并使 TiO_2系陶瓷具有良好的压敏特性。     

Ziegler-Natta烯烃聚合催化剂进展

综述了Ziegler-Natta催化剂在乙烯聚合和丙烯聚合方面的研究开发现状，重点介绍了采用新型二醚化合物作为内给电子体的丙烯聚合催化剂的进展。随着合成树脂向功能化方向发展，开发综合性能优越的新型催化剂及给电子体将是今后的研究方向。     

高压热处理对氧沉淀低温形核的影响

研究了外加高压(1GPa)下对450℃热处理硅片中氧沉淀行为的影响.透射电镜观察表明相对于大气压下热处理的样品,高压处理的样品会产生密度更高、尺寸更小的氧沉淀,表明高压有利于小直径氧沉淀的生成.电学性能测试表明,高压下处理的样品其热施主生成浓度和生成速率远远高于常压下处理的样品,这表明热施主与低温热处理过程中生成的高浓度氧沉淀核心有密切的关系.     

Shallow hydrogen-induced donor in monocrystalline silicon and quantum wires

Electrical and optical properties of bistable shallow donors in monocrystalline silicon, which are introduced by proton implantation followed by annealing at 450 °C, have been studied. The temperature dependences of equilibrium and non-equilibrium carrier concentration and relaxation kinetics were investigated. IR absorption lines of bistable shallow donor electronic excitations were detected. The obtained experimental data demonstrate that the bistable shallow donors can be identified as quantum wire defect nanoclusters.