Ab initio calculations on the mechanism of isobutane and 2-butene alkylation reaction catalyzed by hydrofluoric acid

Ab initio method was employed to determine the mechanism of alkylation reaction of 2-butene with isobutane. The results indicated that 2-butene is rapidly protonated to form sec-butyl carbonium ion, which then reacts with isobutane to form tert-butyl carbonium ion. The resulting carbonium ion is then deprotonated to form isobutene that reacts rapidly with tert-butyl carbonium ion to form trimethylpentane (TMP) carbonium ion. Finally, the TMP⁺ carbonium ion is converted to TMP via the hydride transfer process. The transition states of the interactions were obtained by using the SCAN method (a calculation key word for potential energy surface) first and then the intrinsic reaction coordinates were traced using the Gaussian program. In addition, the energy changes and geometric parameters of the interactions were analyzed. The computed results indicated that the energy barriers are close to or less than zero for the interaction of isobutane with protonated 2-butene or for the interaction of tert-butyl carbonium ion with isobutene, suggesting rapid reaction steps of the carbonium ions. The 2,2,3-TMP is kinetically controlled, while the formation of 2,2,4-TMP is controlled by reaction equilibrium. The calculated results were in good agreement with the experimental results.     

The summary of researches on ADS in China

The conceptual study on the accelerator driven system (ADS) that lasted for about five years ended in 1999 in China. As one project of the National Basic Research Program of China (973 Program) in the energy domain, which is sponsored by the China Ministry of Science and Technology (MOST), a five-year-program of fundamental research of ADS physics and related technology was launched in 2000 and passed national review at the end of 2005. The China Institute of Atomic Energy (CIAE), the Institute of High Energy Physics (IHEP), the Institute of Heavy Ion Physics in Peking University (PKU-IHIP) and other institutions jointly carried out the research. The research activities were focused on HPPA physics and technology, reactor physics of external source driven sub-critical assembly, nuclear data base and material study. For HPPA, a high current injector consisting of an ECR ion source, LEBT and an RFQ accelerating structure of 3.5 MeV was built. In reactor physics study, a series of neutron multiplication experimental study has been carried out and still being done. The VENUS facility has been constructed as the basic experimental platform for neutronics study in ADS blanket. It’s a zero power sub-critical neutron multiplying assembly driven by external neutron produced by a pulsed neutron generator. The theoretical, experimental and simulation study on nuclear data, material properties and nuclear fuel circulation related to ADS is carrying on to provide the database for ADS system analysis. The main results on ADS related researches will be reported.     

从76届SEG年会看综合物化探技术的发展方向

文中在介绍76届SEG年会的展商、展台及会场专题报告与论文发布情况的基础上，阐述了参加本届SEG年会的体会，指出了重磁电技术发展的四个趋势：向海洋勘探技术方向发展、向复杂区综合勘探技术方向发展、向三维联合处理和三维可视化解释技术发展、向直接圈定和检测油气方向发展。     

超细分子筛材料的合成与应用研究进展

综述了近几年超细分子筛的合成与应用方面的研究进展,重点介绍了几种常用且研究较多的分子筛,主要包括Y,ZSM-5,β,Silicalite-1,ZSM-35,MCM-22等分子筛。对超细分子筛的合成方法及其在石化、环保和生物等领域的应用进行了介绍,并对分子筛复合材料的研究及应用的最新动态进行了评述,说明超细分子筛材料的应用领域仍在不断拓宽,超细分子筛复合材料的研究将会成为分子筛材料领域未来的重要发展方向。     

压缩式封隔器胶筒变形阶段力学分析

封隔器是常用试采井下工具,胶筒是封隔器中最重要的部件。将压缩式胶筒的变形分为自由变形和约束变形2个阶段,分析了其绝对体积变化规律,得到了使胶筒刚好与井壁接触的轴向力,据此可以确定最小坐封载荷;得到了井壁和中心管对胶筒的约束压力,在此基础上得到了压缩式胶筒的各个应力分量和第四相当应力,据此可以给出坐封力下胶筒的强度,确定合理的坐封力。实例计算解释了现场封隔器胶筒在坐封载荷作用下损坏的原因。     

中国进口沥青市场分析

分析国内中长期沥青需求，分析我国近十年的沥青进出口状况及主要进口国的产销情况，分析影响沥青进口的因素尤其是进口关税对进口量的影响和进口的发展趋势。     

带化学反应的膛口温度场方程分歧解

提出膛口系统是一种准耗散结构，并分析了符合耗散结构的条件，在分析分歧解线性稳定性的基础上，使用高维定态投影解定态分歧解，分歧解与实验结果吻合较好。     

智能同步广播激励器及其标频

使用智能同步广播激励器,并采用CCTV传输的1MHz标频信号,就有可能实现自适应相位跟踪同步广播。这将大大节省中波段的频率资源。     

炼钢厂钢水温度—时间优化匹配系统开发

根据软件开发的基本原则，提出了炼钢厂的钢水温度－时间优化匹配系统开发总则和结构设计，并闻相应的软，硬件系统。     

频率/待测量变换的GAL、ERROM设计方法

本文提出了以通用阵列逻辑器件 GAL 和只读存贮器 EPROM 为核心器件的频率/待测量变换的设计方法。配以数字式传感器及用最小二乘法编制的曲线自动分段拟合程序生成的 EPROM 中的数据,可用于力、温度、光强等非电量的测量显示和控制。这种装置与采用微处理器的电路相比,有相同的测量精度,电路简单,而且保密性好.