矩阵法拟定化学反应机理软件

本软件是根据Happel和Sellers提出的矩阵法编制的。用户只需输入基元反应方程式及其系数矩阵,即可得出全部动力学上有意义的反应路线。本软件不但可用于单一总反应的物系,也可用于多个总反应的物系,既适于均相反应,也适于非均相反应。它是拟定化学反应机理的有力工具。本软件用BASIC语言编写,由DOS3.3以上版本支持,可在APPLE-Ⅱ及其兼容机上运行,使用十分方便。     

拉瓦锡与化学革命——纪念化学革命二百周年

本文记述了拉瓦锡在化学上的主要贡献,阐明了化学革命发生的历史背景和对化学发展的巨大促进作用,较全面的分析了拉瓦锡的思想方法和研究方法,并在对拉瓦锡的评价问题上,提出了自己的看法。     

安培

安培(1775-1836)，法国物理学家，对数学和化学也有贡献．1775年1月22日生于里昂一个富商家庭．少年时就显出数学才能．他的父亲信奉卢梭的教育思想，供给他大量图书，令其走自学道路，于是他博览群书，吸取营养．卢梭关于植物学的著作燃起他对科学的热情，1802年他在布尔让——布雷斯中央学校任物理学和化学教授；1814年被选为帝国学院教学部成员；1819年主持巴黎大学哲学讲座；1824年担任法兰西学院实验物理学教授．1836年6月10日在巡视法国各大学途经马赛时逝世．终年61岁．     

蓝宝石R面上ZnO薄膜的NH3掺杂研究

以NH₃为掺杂源,利用金属有机化学气相沉积(MOCVD)系统在蓝宝石R面上生长出掺氮ZnO薄膜。通过XRD,SEM测量优化了其生长参数,在610℃和在80sccm的NH₃流量下生长出了〈1120〉单一取向的ZnO薄膜。经Hall电阻率测量,得知该薄膜呈现弱p型或高电阻率,并对其光电子能谱进行了研究。     

Dissociative Chemisorption of an H2（v,j） Molecule on Rigid Ni （100） Surface： Dependence on Surface Topologies and Initial Rovibrational States of the Molecules

The H2(v,j) Ni(100) collision system has been studied to understand the effects of the surface sites and initial rovibrational states of the molecule on molecule-surface interactions, by a quasiclassical molecular dynamic simulation method. Dissociative adsorption of an H2 molecule on the rigid Ni(100) surface is investigated at topologically different three sites of the surface. Interaction between the molecule and Ni surface was described by a London-Eyring-Polani-Sato (LEPS) potential. Dissociative chemisorption probabilities of the H2(v, j) molecule on various sites of the surface are presented as a function of the translation energies between 0.001-1.0eV. The probabilities obtained at each collision site have unique behaviour. At lower collision energies, indirect processes enhance the reactivity, effects of the rotational excitations and impact sites on the reactivity are more pronounced. The results are compared with the available studies. The physical mechanisms underlying the results and quantum effects are discussed.     

双瓶输液中的数理问题

医学上常用吊瓶式输液器给病人输液 ,而且往往是双瓶串起来进行 .在输液的过程中 ,涉及到许多中学数学和物理的知识 ,下面是笔者在研究性学习中 ,讨论的一个数理问题 .图 1　双瓶输液图例 1　如果我们将Ａ瓶内装入普通盐水 ,Ｂ瓶内装入药液 ,在两瓶如图 1连接情况下输液 ,那么 ,药液先从Ｂ瓶下面连接的软管中流入Ａ瓶中 ,经混合后 ,液体再从Ａ瓶下面的针管中流出 ,结果是Ｂ瓶内液体先流完 .试问 :当Ｂ瓶内液体流完时 ,从Ａ瓶下面流出的液体浓度为多少 ?解析　为了使问题简化 ,我们假设Ａ瓶内的液体是没有溶质的液体 ,Ｂ瓶内的液体全部是溶质…     

分子和金表面相互作用的第一性原理研究

从第一性原理出发利用密度泛函理论研究了 4 ,4′ 二巯基联苯分子和金表面的相互作用 ,并利用了前线轨道理论和微扰理论定量地确定了该相互作用能常数. By using density functional theory, we have investigated the interaction between a thiol-phenyl molecule (4-4′-dimercaptodibenzene) and a gold surface. The frontier orbit theory and the perturbation theory are also employed to determine quantitatively the constant of interaction energy. The results show that the bonding between the sulfur atom and the gold atoms corresponds mainly to the covalent bond and some molecular orbits are extended over the molecule and gold cluster which certainly give channels...     

Effects of Substrate Temperature on Helium Content and Microstructure of Nanocrystalline Titanium Films

Helium-charged nanocrystalline titanium films have been deposited by HeAr magnetron co-sputtering. The effects of substrate temperature on the helium content and microstructure of the nanocrystalline titanium films have been studied. The results indicate that helium atoms with a high concentration are evenly incorporated in the deposited titanium films. When the substrate temperature increases from 60℃ to 350℃ while the other deposition＇parameters are fixed, the helium content decreases gradually from 38.6 at.% to 9.2at.%, which proves that nanocrystalline Ti films have a great helium storage capacity. The 20 angle of the Bragg peak of （002） crystal planes of the He-charged Ti film shifts to a lower angle and that of （100） crystal plane is unchanged as compared with that of the pure Ti film, which indicates that the lattice parameter c increases and a keeps at the primitive value. The grain refining and helium damage result in the diffraction peak broadening.     

CHBr薄膜制备的初步研究

碳氢（cH）及其掺杂材料常被用作ICF实验靶丸烧蚀层材料。制备CH薄膜及其掺杂材料的方法有很多，诸如：离子束辅助沉积、离子溅射沉积、低压等离子体化学气相沉积（LPPCVD）等。近年来，详细研究了LPPCVD法制备CH薄膜的制备方法与工艺，形成了比较成熟的技术路线与工艺路线，并为“神光”实验提供了一系列实验靶丸。