《高分子化学》课程中“活性自由基聚合”的教学实践

《高分子化学》课程是五大化学基础课程(无机化学、有机化学、分析化学、物理化学、高分子化学)之一,是化学类、高分子材料与工程、材料化学专业的必修课程。"活性"/可控自由基聚合是一种相对较新且重要的聚合物合成技术和方法,针对目前《高分子化学》课程中活性自由基聚合的教学比较薄弱的现状,从教学的角度探讨了活性聚合和可控/"活性"自由基聚合的本质和特点,介绍了本人在这方面的教学实践活动,遵循成果导向教育理念,通过以学为中心的教学方式,打造金课,提高教学质量。     

氯化1-乙基-3-甲基烷基咪唑分子结构及其氢键作用能的密度泛函研究

采用量子化学密度范函方法计算研究了氯化1-乙基-3-甲基咪唑盐（[EMIM]C1）正负离子间相互作用的平衡构型和Cl^-离子从不同方位与咪唑阳离子的结合能．计算发现Cl^-可在咪唑环平面上结合形成离子键，其结合能为．368．97kJ／mol，还可与环上的三个H原子形成氢键，其氢键键长和结合能分别为0．2000nm／-378．03kJ／mol、0．2339nm／-344，69kJ／mol和0．2301nm／-346，01kJ／mol．结合能包括氢键作用能和正负离子的静电作用能，后者为主要贡献．从理论上展示了该离子液体的氢键结构．     

Computation of equilibrium oxidation and reduction potentials for reversible and dissociative electron-transfer reactions in solution

Equilibrium free-energy cycles relating oxidation and reduction potentials in solution to ionization potentials and electron affinities in the gas phase are constructed and the utilities of various levels of theory for computing particular free-energy changes within these cycles are discussed within the context of several examples. Emphasis is placed on the use of quantum-mechanical continuum solvation models to compute free energies of solvation. Key systems discussed include quinones, substituted anilines, substituted phenols, and reductive dechlorination reactions.Dedicated to Prof. Jean-Louis Rivail, whose pioneering efforts in developing and exploiting continuum solvent models were critical in making quantum chemistry more applicable to solution phenomenaProceedings of the 11th International Congress of Quantum Chemistry satellite meeting in honor of Jean-Louis Rivail     

Changes in peak width and concentration at the inlet and outlet of a chromatographic column

The original plate model of chromatography is extended to the sorption process occurring at the column inlet and the desorption process at the column exit. At the column inlet it is shown that sufficiently wide feed bands undergo no change in concentration but a fall in band width, i.e., the volume of mobile phase occupied by the solute band is reduced. The reduction factor is (1 + k) where k is the mass distribution ratio (capacity factor). Narrower bands suffer partial reduction in both band width and concentration. On desorption at the outlet, however, the change is always in band width and not concentration. A perfect detector registers the true concentration-time profile of the band in the column if the solute mass fraction in the stationary phase is below 10^?3 at the column outlet. The risks of stripping the stationary phase at high solute concentrations in analytical and preparative or production gas chromatography are compared.     

Concentration profiles and breakthrough curves in non-linear chromatography

The treatment of the non-linear isotherm in chromatography by one of the authors [1] is extended to other cases of practical interest. The original paper dealt with the case of an initially thin zone resulting in a Poisson distribution the asymmetry of which is a function of the plate number and the non-linearity constant. The present work shows that the same relations apply to initially thick zones and to the cases of washing and deposition leading to simple relations for breakthrough curves. For significantly non-linear isotherms other quasi-Gaussian distributions can give a better fit.     

材料化学实验课程体系的改革与建设

结合材料化学实验课程自身的特点及材料化学实验教学的经验，系统阐述我院材料化学实验改革的思路，通过深化材料化学实验教学改革，提高任课教师的学术水平，更新教学内容，优化教学模式，推进教材的系统性建设，实现材料化学实验教学质量的提高，激发学生的学习热情与兴趣，进一步培养学生的创新能力。     

Rasch模型在“化学键”概念教学评价中的应用研究

运用Rasch模型探查高二学生对"化学键"概念的认知情况，运用Conquest软件和Winsteps软件对测试结果进行分析。结果表明：基于Rasch模型编制的测试卷能客观有效地检测学生对"化学键"概念的理解，为一线教师的有效教学提供学情基础。     

SiO2·(CO)n(n=1～2)结构和属性的理论研究

用密度泛函理论详细地研究了SiO2·(CO)n(n=1～2)的结构和属性.研究表明,SiO2·CO是一个T形的具有C2v对称性的分子,SiO2·(CO)2具有C2对称性的分子;频率计算结果与实验值一致,CO在与SiO2成键过程中,C-O伸缩振动频率有所增加,说明静电势在复合过程中起了重要作用;基组重叠误差(BSSE)修正在计算相互作用能时不可忽视,相互作用能和解离能的计算以及NBO分析表明,SiO2·(CO)2中的SiO2与CO之间的作用相对SiO2·CO来说较弱;SiO2和CO2与CO的成键特点不同,主要是缘于SiO2与CO2的能隙不同.     

基于课程标准的教学——以常见阴、阳离子的检验为例

以常见的阴、阳离子的检验为例，研究了如何实施基于标准的教学。校本教材的开发为标准、教材、教学、评价的一致性提供保障；以学生应知的和能做的驱动课堂活动；根据达成标准应有怎样的质量表现，试卷编制先于教学设计。课堂上，“教”“学”双方都明确学习目标，教师提供多种策略来满足学生多样的学习需要，如提供工具，搭建脚手架，并以“微”研究性学习的方式展开教学，给学生提供了充分的进步空间。     

Education by Teaching Analytical Chemistry in Romania

A review is given on the history of the development of analytical chemistry in Romania, its present role in University teaching, and on measures that are planned in order to improve teaching and education.Received January 12, 2003; accepted March 7, 2003 Published online July 16, 2003