计算机技术在化学中的应用研究进展

介绍了计算机科学与技术在化学研究、化学教育及化学信息处理等方面的应用及其发展动态.     

化学知识与环境化学知识的关系

化学知识是环境化学知识的基础。化学概念和理论能够对大气环境中的化学反应、土壤环境中的化学反应、水体环境中的化学反应以及水体中存在的平衡等内容进行分析和解释。环境化学知识是运用化学知识研究物质的环境化学行为以及治理化学污染物质而形成的知识体系。对环境化学问题的深入研究能够促进化学的发展。     

试谈环境化学的组成和特点

在世界上两次环境保护浪潮中,环境化学应运而生并迅速发展。文章介绍了环境化学的四个组成部分——环境污染化学、环境分析化学、污染生态化学和污染控制化学的主要研究内容及其特点。     

安全教育,化学教育中必须强调的重要内容

基于对频发的高校火灾的反思及化学学科的特点,阐述了在化学教育中进行安全教育的必要性与特殊性;并结合化学实验教学的现状分析,对化学教育中如何开展安全教育进行了探讨.     

红外及相关技术在盐湖化学中的应用

在硼酸盐化学、盐湖材料化学及成盐元素化学研究中，由于红外及相关联用技术的应用而取得了很大进展。此文对近年来我国在盐湖化学研究工作中应用红外及相关联用技术的工作进行了综述，对红外新技术在盐湖化学中的应用前景进行了展望。共引用文献65篇。     

化学,别把文科学生拒之门外——开设《现代人与化学》课程之探索

对文科学生进行体现化学知识应用的化学素养教育,普及化学知识,使之适应２１世纪对人才素质的要求已迫在眉睫。本文借鉴美国化学课程改革的经验,结合我国为非理科专业大学生开设化学选修课的初步尝试,推出在内容和体系上具有很大改革力度和鲜明特点的化学素养课程－《现代人与化学》。     

原始化学问题的内涵与价值

在化学教育中落实化学学科核心素养,是我国当前化学教育教学改革的现实问题。与传统习题不同的是,原始化学问题关注学生在解决“复杂的、不确定的现实问题”时的综合品质,是一种能够考查学生高水平化学学科核心素养的新型问题。对原始化学问题的内涵进行深入解读,厘清原始化学问题与化学习题的关系,发掘原始化学问题的教育价值,有助于落实化学学科核心素养,促进学生系统思维的发展,引导化学教育评价理念的变革。     

公民对化学认识的调查与思考

公民对化学认识的调查结果显示:有近半数的公民能够正确认识生活与食品中的化学知识,不少公民缺少对化学化工与化学发展前景的认识,也缺少化学在体育中应用的了解.学校和政府有责任提升公民的化学素养,使公民能正确认识化学化工及其与社会、生活、生产的关系,认识化学对人类发展的重要性.     

诠释“魅力化学”发挥化学魅力的教育功能

提出了一个新的名词——魅力化学,从化学物质、化学变化、化学创造、化学价值、化学构造、化学应用以及以化学为中心的各个研究领域几方面阐述了化学科学的魅力及在化学教学中充分利用它的魅力,以激发学生的学习兴趣和探究化学的创新精神,并强调了在探索科学奥秘的同时,不能脱离追求真、善、美——科学研究的真谛。     

美国化学教育研究进展

近年来 ,美国“化学教育杂志”(ＪＣＥ)陆续发表了一些知名化学教育家有关化学教育和化学教育研究的综述 ,有对化学教育的过去、现在与未来的阐述和展望[1] ,也有通过化学教育研究以提高化学教学质量的论述[2～ 4 ] 。这些文章值得关注。同样值得关注的是 ,1 993年 3月美国化学会第 2 0 5届年会上 ,其化学教育分会有关“什么是化学教育研究会”的专题讨论会。 1 994年ＪＣＥ就这一讨论会专发了一组文章 (连续 7篇 ) [5] 。同年又发表了通栏标题为“化学教育研究”美国化学会化学教育分会化学教育研究工作组报告[6] 。我们认为这一报告是化学…     

CoFe2O4自形成磁性液体场致结构化对磁化的影响

The Langevin paramagnetic theory can’t describe the relation between magnetization of ferrofluids and applied magnetic field. The structuralization of ferrofluids, which is considered the main influence factor of the magnetization, is regarded. The part of magnetization works is deposited when the structure is forming. This action influences the magnetization of ferrofluids directly or indirectly. On the base of the “compressing” model, the Langevin function that usually describes the magnetization of ferrofluid is modified, and a well-fitted curve is obtained. An equation of the relation between the equivalent volume fraction after being “compressed” and the intensity of magnetic field is discovered, which approximately describes the process of magnetization. The relation between the approximate initial susceptibility and the volume fraction can be obtained from modified formula.     

二氧化碳和丙烯直接合成甲基丙烯酸的NiPMo/TiO2催化剂的研究

用溶胶-凝胶法以磷钼酸(MPA)的镍盐溶液水解钛酸四丁酯制备了NiPMo/TiO2催化剂.使用ICP、 XRD、 TG-DTA、 IR、 TPD-MS和微反应技术研究了催化剂的化学组成、热稳定性、化学吸附性质和催化反应性能.杂多钼酸盐与TiO2通过O2-在TiO2表面发生了键合.在623 K下,杂多阴离子仍保持原有的Keggin结构.CO2在Lewis酸位Ni(Ⅱ)和Lewis碱位Ni-O-Mo的桥氧协同作用下生成CO2卧式吸附态Ni(Ⅱ)←O-(CO)←(O--Ni).丙烯有多种吸附态在催化剂上吸附.在563 K、 1 MPa和空速1500 h-1的反应条件下,丙烯的摩尔转化率为3.2%,产物MAA选择性为95%.     

酞菁染料的金属化和溴化与光物理影响的研究

以α位(2,4-二特戊基)苯氧基邻苯二腈作为环合前体,制备了多种金属酞菁,产物经元素分析、紫外、红外、核磁氢谱等分析手段进行表征.并选择了部分酞菁进行溴化,其中着重研究了不同中心金属以及溴化对染料Q带吸收的影响.结果表明,酞菁染料的金属化对于其Q带吸收影响很大,多数染料金属化后会出现蓝移,而选择合适的条件进行溴化,可以使得金属酞菁的Q带吸收出现一定程度的红移,其中部分溴化金属酞菁的吸收波长与光信息产业中使用的近红外激光器很接近,具有潜在的实用价值.     

Toward new camptothecins. Part 6: Synthesis of crucial ketones and their use in Friedländer reaction

In the context of the preparation of camptothecin and luotonin A analogs, the synthesis of some key keto-precursors and their use in Friedländer condensation are described. This paper also focuses on the stability of these keto intermediates and emphasizes the major differences between indolizinones and pyrroloquinazolinones series. Noteworthy is also the report of some original structures isolated as by-products of some experiments.     

OPTIMIZATION OF THE SYNTHESIS OF ACRYLAMIDE HYDROGEL BY γ-RAY IRRADIATION

Hydrogels have been synthesized from 10%, 20%, 30%, 40%, 50% and 60% aqueous solutions of acrylamide monomer by gamma radiation employing doses in the range of 0.2-30 kGy from a Co-60 source. The effect of solution concentration, γ-ray dose, pH and time was studied in order to observe the optimizing conditions in the characterization of hydrogels. Gel fraction increases with dose for all concentrations indicating hundred-percentage conversion of gel at doses ≥5 kGy for homogenous solutions in the range of 20%-50% concentration. On the other hand, 10% solution provides conversion less than 86% even at 30 kGy, whereas 60% monomer makes an inhomogeneous solution which stile gives about 100% gel fraction. Swelling of hydrogels under water with respect to time varies with both the doses and concentrations due to the change of crosslinking density in the gels. The maximum volume change of hydrogels during swelling and water desorption mainly occurs within 24 h. Swelling is also enhanced with the rise of pH due to change of ionic content of the solvent. Considering the amount of gel fraction and the properties of hydrogel, the samples prepared from 20% solution at 5kGy show better results. Moreover, the effect of bacteria on hydrogel was found to be nil, suggesting a prohibition of growth of microorganism in it.     

ELECTROCHEMICAL POLYMERIZATION OF ANILINE IN PHOSPHORIC ACID AND THE PROPERTIES OF POLYANILINE

The behavior of the electrochemical polymerization of aniline in a weak acid, phosphoric acid, is very similar to that in strong acids, i.e. its polymerization rate increases quickly with the electrolysis time. The FTIR spectra of polyaniline samples synthesized in phosphoric acid indicate that the counter ion H2PO4^- is present in both the oxidized form and the reduced form of polyaniline. The counter ion plays an important role in adjusting the pH value at the electrode surface of polyaniline during the oxidation and reduction processes. As a result, a pair of redox peaks still appear in cyclic voltammograms of polyaniline in a solution of sodium sulfate of pH 5.5 and in a solution of NaH2PO4 of pH 7.0,respectively, at low potential scan rate; and the color of polyaniline film also changes with applied potential at pH 7.0. Thus,the pH region for the electrochemical activity and the electrochromism of polyaniline is extended to pH 5.5 for a solution of sodium sulfate and to pH 7.0 for a solution of NaH2PO4. The conductivity of polyaniline is 3.3 S cm^-1, depending on the concentration of phosphoric acid used in the stage of polymerization of aniline. The result of elemental analysis of polyaniline is presented here.     

Contributions to the Chemistry of the Binary Compounds of the Transition Elements

Phase and structural relationships of the sulfur, selenium, and tellurium compounds of the 4d and 5d transition elements of groups IV to VII of the periodic system are discussed. Homologous elements behave very similarly with respect to the chalcogens, and this is particularly the case for niobium and tantalum, and for molybdenum and tungsten. However, zirconium, niobium, and molybdenum have a greater tendency towards formation of chalcogen-poor phases than their homologues hafnium, tantalum, and tungsten. Subchalcogenides are known only for zirconium and niobium. The number of phases and the tendency towards formation of solid solutions are considerably smaller among the tellurides than among the sulfides and selenides. The crystal structures of the telluride phases also differ from those of the sulfide and selenide phases of analogous composition. In addition, a review of the phase and structural relationships of the arsenic and antimony compounds of the 4d and 5d transition elements of groups V to VII is given.     

液晶聚合物/柔性链聚合物共混体系相分离形态

利用元胞动力学方法在二维情况下对浓度、取向序参量的含时Ginzberg-Landau方程进行数值求解,研究了液晶聚合物/柔性链聚合物共混体系的相分离动力学,考察了浓度、取向有序过程的耦合对相分离形态的影响.结果表明,此耦合作用对相分离的时间进程以及相分离图样的空间排布都有影响.液晶聚合物的取向有序相当于增加了两组分间的不相容性而促进两相分离;两个序参量在热力学方面的耦合使液晶聚合物趋向于沿着界面方向取向,而动力学方面的耦合使液晶聚合物分子沿着其取向方向扩散,相分离图样的空间排布由这两种效应共同决定通过极化率张量的定义用数值方法模拟得到了相分离体系的小角光散射图样,结果表明,散射强度分布具有方位角依赖性,它是由浓度、取向序参量的空间变化共同决定的.     

PREPARATION OF NANOMETER TiO2 ORGANIC SOLUTION-EFFECT OF ORGANIC SILOXANE ON SOL PROPERTIES

A homogeneous longtime stabilized transparent nanometer TiO2 organic solution was obtained by means of the simultaneous hydrolysis and co-polycodensation of tetrabutyltitanate (TBT) and methacryloxypropyltrimethoxysilane (MAPTMS) by the sol-gel process. The particle size of nanometer titanium dioxide was controlled by use of bifunctional silanes, such as diphenyldimethoxysilane (DPDMS), diphenyldiethoxysilane (DPDES) and dimethyldiethoxysilane (DMDES). The effect of TiO2 content in the solution on the refractive index of system was discussed in detail. The result shows that the refractive index of solution increases linearly with TiO2 content. The refractive index of the three hybrid nanorneter materials attained 1.6053, 1.5846 and 1.5346, respectively. The size of nanometer particles was characterized by TEM and the particle diameter thus obtained is in the range of 20-90 nm. FT-IR spectra of the materials show that the TiO-Si bond is formed.     

Chemistry of heterocyclic compounds at the A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, over 50 years (Review)

The review contains a concise historical account and information on the most significant researches undertaken by the staff at the A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences on the Chemistry of Heterocyclic Compounds. Dedicated to Academician of the Russian Academy of Sciences B. A. Trofimov on his 70th jubilee. Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, pp. 1443–1502, October, 2008.