道尔顿与近代科学原子论

通过对近代科学原子论产生的历史背景的考察，分析了道尔顿原子学说与以往哲学原子论的重大区别，探讨了道尔顿创立原子学说的科学思想和研究方法，阐明了科学的认识论和方法论对科学研究的重要指导作用。     

锗元素及其同位素的发现:科学方法与科学思想的融合

1871年,门捷列夫依据元素周期律预见了“类硅”（eka-silicon）的存在及其性质。1885年,德国分析化学家文克勒在对硫银锗矿进行分析时,意识到一种新元素的存在。至1886年2月6日,文克勒成功制取出金属单质,并将其命名为锗（Germanium）。在对锗元素的性质进行测定后,证实它正是门捷列夫所预见的“类硅”,从而证明了元素周期律的预见功能。20世纪20年代以后,锗同位素的发现使人们对锗元素有了新认识。总之,锗元素及其同位素的发现不仅是科学知识不断积累的结果,也是科学方法与科学思想相互融合的结晶。     

试论徐光宪的科学思想与科学方法

徐光宪对科学理论合理性的评价是从理论概念与物质结构要素的对应、科学理论解释性的强弱等方面进行的。他认为化学学科有独特性,化学反应以及与化学反应相关的分子结构与性质研究,是化学独特的研究对象与问题领域,化学在该领域形成了自己的理论,并不能被还原为物理学。徐光宪用自己的多维分类法对知识进行分类,提出分类的目的是为了做出发现,在研究中亦利用分类进行思维和方法创新。用数学化的方法实现化学研究的精确性,借用模型抽象理论、简化研究程序,综合使用多种仪器设备、将旧仪器引入新领域、拓展仪器的功能,徐光宪为自己的研究需要改进和发明新工具的同时,还为其它研究者提供了便捷有效的工具。     

“原子-分子”论的创立及其对我们的启迪

“原子-分子”论在近代化学史上是一项划时代的成就,它的创立过程是在曲折中前进的。道尔顿的原子论为科学的“原子-分子”论奠定了基石,揭开了近代化学新时期的序幕。道尔顿与盖.吕萨克的学术争论主要是围绕道尔顿原子论自身存在的内在矛盾及其外化的“半个原子”问题而展开的,它构成了近代“原子-分子”论创立过程中的一个重要环节。阿伏加德罗在道尔顿原子论基础上提出的分子学说,初步解决了道尔顿原子论的内在矛盾及其外化的“半个原子”问题,使科学的“原子-分子”论趋于完善。坎尼扎罗“原子-分子”论的最终确立,是道尔顿原子论与阿伏加德罗分子学说有机整合的结果。“原子-分子”论的这一创立过程给予我们的启迪是深刻的,它展示了科学理论的曲折发展、“继承-创新”辩证发展、内在矛盾动力、内在矛盾外化等发展规律。     

科学方法教育思想的由来及发展

科学方法教育思想从提出到现在已有200多年的历史了。伴随着科学技术和科学方法论的发展,以及社会对人才要求的不断提高,科学方法在理科教学中的地位和作用愈益突出。从作为同注入式教学作斗争的重要武器,发展为理科教学目的和内容的重要组成部分,科技素质教育的重要内容。     

从简单土质物质到现代化学元素：钙元素的发现及其概念的发展

18世纪末,法国化学家拉瓦锡预言石灰等土质不是简单物质。19世纪初,英国化学家戴维利用电化学技术从石灰中制得一种新的金属,并将其命名为“钙”(calcium),钙元素概念初步形成。随后,原子论的提出与钙原子量的测定使钙元素概念得到发展。到了20世纪,钙元素同位素的发现使人们对钙元素概念有了新的认识。总之,钙元素概念的发展史不仅是元素概念的发展史,也是科学思想、科学方法的演变史。     

氢元素概念发展史与化学思想的演进

18世纪,发现氢气的卡文迪什认为该气体是水与燃素的化合物;但发现水的组成的拉瓦锡认为氢气是一种元素物质.到19世纪,原子分子论形成后,氢气被认为是由双原子分子构成的单质.20世纪30年代,氢同位素的发现使人们对氢元素概念有了新认识,并逐渐形成现代氢元素概念.氢元素概念的发展史不仅是元素概念的发展史,也是科学思想的演进史...     

氟元素的发现:从假说到客观实在

通过从科学认识论、科学方法论、化学思想等方面对氟元素的发现历程考证分析可知,氟元素的发现不是先发现元素物质,后形成元素概念,而是一个从假说到客观实在的验证过程。科学家以实践为基础,运用逻辑思维和直觉思维预见了氟元素的存在,并不断探索、创新研究方法、自制实验仪器,最终证实了氟元素假说,同时也验证了元素周期律,使卤族元素概念走向成熟,使化学元素观得以演进。     

建模思想与解决化学问题能力的培养

建模是构建认识问题和解决问题的一种思想模型。运用这种思想模型认识和解决化学问题,对问题所给的材料提炼加工,结合所学的知识,建立模型,随后解决问题,利于培养学生的观察能力、对信息的理解、加工和归纳的能力及对科学家的思想和方法的领悟力。     

基于绿色氢科学理念构筑从低碳制氢到高效储氢的氢能体系

本文从低碳制氢和高效储氢的角度思考及探讨氢能体系绿色化发展过程中的关键科学问题.提出＂绿色氢科学＂理念与＂低碳制氢,高效储氢＂技术发展路线图,以期通过相关科学问题的认识,来构建具有高度原子经济性及可持续性的绿色氢能体系.     

Electrodialysis: From an Idea to Realization

The historical validity demands some clarifications in the early history of electrodialysis. Early investigations with non-selective membranes are not to be recognized as electrodialysis-related although some of them have used the term electrodialysis. Only in 1950 the first synthetic ion-exchange membranes were produced (W. Juda and W.A. McRay). Preceding them membranes manufactured by T.R.E. Kressman were in fact a modified natural product—impregnated parchment membranes. Major electrodialysis" shortcomings such as membrane fouling and scaling were mostly overcome with electrodialysis reversal (EDR) commercial introduction by Ionics in 1967. Synthesis of novel sodium-selective membrane did not spark a burst in ED manufacturing. However higher demand for sodium-selective membranes can be expected in conjunction with nitrate-selective membranes for potable water denitrification—the essential step in water treatment in Europe. New break-through in ED progress was associated with development of apparatuses with ion-exchange resin beads filling desalting compartment. The analysis of energy consumption in ED process shows that the possibility of its reduction by traditional ways of membranes and spacers improvements is practically exhausted. However there is practically undeveloped option to lower the polarization resistance with help of electrodynamic instability (volumetric-charge development). Another possible improvement is creating membranes with special profile. As EDI targets higher levels of water purity the removal of weakly ionized ions becomes important issue.     

Chemistry and Dual Use: From Scientific Integrity to Social Responsibility

Ethical aspects of chemical activity are often exclusively located in the field of scientific integrity and good scientific practice. Yet, there is another dimension of ethics in chemistry that is not covered by research ethics: the impact of chemical scientific and technological progress on society and environment. Here, especially, the dual character of manifestations of chemical progress (new compounds, materials, and processes) is discussed. This essay aims at clarifying the roles, responsibilities, and chances of chemists to contribute to the assessment and management of dual use risks. Its main argument is that the framework for an efficient risk assessment has been established in science and technology governance, based on the sustainability concept. Without having to worry about exceeding their core competences too much – as in ‘Ethics is not my business!’ – chemists’ expertise and knowledge plays a crucial role in tackling the most urging issues of our times as part of a larger interdisciplinary endeavour.     

The Hydrogen Evolution Reaction in Alkaline Solution: From Theory,Single Crystal Models,to Practical Electrocatalysts

The hydrogen evolution reaction (HER) is a fundamental process in electrocatalysis and plays an important role in energy conversion for the development of hydrogen‐based energy sources. However, the considerably slow rate of the HER in alkaline conditions has hindered advances in water splitting techniques for high‐purity hydrogen production. Differing from well documented acidic HER, the mechanistic aspects of alkaline HER are yet to be settled. A critical appraisal of alkaline HER electrocatalysis is presented, with a special emphasis on the connection between fundamental surface electrochemistry on single‐crystal models and the derived molecular design principle for real‐world electrocatalysts. By presenting some typical examples across theoretical calculations, surface characterization, and electrochemical experiments, we try to address some key ongoing debates to deliver a better understanding of alkaline HER at the atomic level.     

Evolution and applications of radiochemical procedures: From Marie Curie to Darleane Hoffman

Marie Curie carried out the first radiochemical separations which eventually lead to the discovery of polonium and radium, two new elements. Nearly a century later Darleane Hoffman and her collaborators are devising new radiochemical separation procedures for studying the chemical properties of newly discovered transactinide elements. Safety requirements as well as changes necessitated by fast decaying radionuclides have transformed the nature of radiochemical separations. Further, applications in a wide variety of areas such as analysis of trace lements in food to radioimmunoassay have broadened the use of radiochemical separations. Examples of some early, historically important, radiochemical separations are described in this article. In addition, recent trends in the use of radiochemical separations in neutron activation analysis. in dating applications. in fission product studies and in the study of transactinide elements are briefly described with specific examples.     

从哲学本原到等离子体:火的概念的历史演变

不同文明的古代哲学家均视火为元素,即万物之本原。17世纪的机械论哲学家认为火是由“火微粒”组成。至18世纪,在燃素说范式下,火被认为是燃素的聚集体,是一种复合物,而在随后兴起的氧化学说范式下,火被认为是一种流体物质,由热素组成。19世纪末对能量的认识,揭示了火是能量转化中的一种形式。至20世纪,火被发现是一种弱等离子体,从能量的传递形式到等离子体,在多学科的交融中火的概念得到了新的发展。对“火”的探索过程,促进了科学技术、科学研究方法以及化学思想的发展,对化学教育具有启示作用。     

化学键合模型概念的发展——从原子和分子轨道到化学轨道

对化学而言,对于连接分子中的原子的力的理论表达,历来一直是一个中心问题.要讨论此问,题,就要预先在概念上对原子与分子有一个清楚的区分,而且要对原子的电子结构有一个适当的表达式.从历史上讲,对物质构成的研究,始于古希腊的德谟克利修斯,经过炼金术时代之后,由拉瓦锡、道尔顿、阿弗加德罗和门捷列夫的缓慢发展,成为了十八至十九世纪的化学.在上世纪初,出现了玻尔的原子理论和量子力学,它不仅标志着现代物理学的开始,而且也标志着量子化学的开始.原子轨道和分子轨道是海特勒-伦敦(HL)和原子轨道-分子轨道线性组合(LCAO-MO)方法中的基本概念,它导致了现代价键理论和哈特里-福克(HF)方法及其扩展方法的出现.电子计算机的发展带来了"计算化学",今天的计算机程序使得真正的结合能预测,甚至在没有使用经验参数的情况下,就成为现实.不过,用非半经验方法来对有合理尺寸和目前化学感兴趣的分子进行精确预测,常常需要惊人的计算量.把HF方法与HL算法合并的、现在称之为哈特里-福克-海特勒-伦敦(HF-HL)的方法,大大减少了在原子轨道或分子轨道从头计算模型中所需要的表达式的长度,这一简化使得对所形成的波函数容易得到解释.双原子分子HX和X2(X为H、He、Li、Be、B、C、N、O、F和Ne)的基态和少数激发态的计算是HF-HL方法的例子.进而,本文表明,HF-HL方法可以从带有一个新型轨道-化学轨道构建的简单波函数来导出,最后,对用化学轨道的初步计算进行了介绍.     

Theory and simulations of charged polymers: From solution properties to polymeric nanomaterials

Charged polymers are macromolecules with ionizable groups. These polymeric systems demonstrate unique properties that are qualitatively different from their neutral counterparts. In this review I survey the recent progress made in understanding properties of the solutions of charged polymers, swelling of polyelectrolyte gels, conformational transformations of charged dendrimers, complexation between charged macromolecules, adsorption of charged polymers at surfaces and interfaces, and multilayer assembly in ionic systems.     

From Shape Similarity to Shape Complementarity: Toward a Docking Theory

Formal relations between similarity and docking are analyzed, and a general docking theory is proposed for colored mixtures of multivariate distributions. X and Y being two colored mixtures with given marginal distributions, their shape complementarity coefficient is defined as the lower bound of the variance of (X–Y)· (X-Y), taken over the set of joint distributions of X and Y. The docking is performed via minimization of the shape complementarity coefficient for all translations and rotations of the mixtures. The properties of the docking criterion are derived, and are shown to satisfy the practical requirements encountered in molecular shape analysis.     

从用益权到居住权：罗马法人役权的流变史

罗马法中人役权包括用益权、使用权和居住权。用益权是一种权利分化工具,与虚空所有权对应使用,起源于与遗产继承相关的提供生活扶助的社会需求,允许针对死者财产中一切物品设立用益权,未在用益权客体中排除消耗物,并由此创设了准用益权以调和理论与实践的矛盾。使用权与居住权以用益权为蓝本,权能范围递减。使用权与用益权的理想边界是使用权人不能收取孳息这一质的区别,但现实边界转变为收取多少孳息的量的差别。作为真实生活需求的居住权被等同于使用权或被解释为用益权,优士丁尼颁布居住权谕令使居住权独立化,并赋予了居住权人出租房屋的权利。三种权利的演进过程并非理论推演的结果,而是满足现实生活需求的产物,体现了罗马法更重视制度功能而非形式逻辑的底色。