多种记忆方法相结合提高物理化学重要公式的记忆效率*

物理化学是一门逻辑性强、公式繁多的化学基础理论课。结合列举实例,总结了联想记忆法、类比记忆法、化繁为简记忆法、归类记忆法和逻辑关联记忆法等多种方法在物理化学重要公式记忆中的应用,使学生通过应用这些方法提高记忆物理化学公式的效率。     

表面物理化学

正表面物理化学是物理化学中的重要分支之一,主要涵盖表面化学与物理。表面物理化学探究固体表面物理化学过程的基本原理,在多相催化、电化学、能源化学以及纳米科技等领域具有广泛的应用。例如,2007年的诺贝尔化学奖得主G. Ertl教授曾指出"整个纳米技术领域实际上就是由表面反应控制的"~1。随着现代表面科学技术的快速发展和理论化学的进步,人们现在可以在原子和分子层次上揭示表面物理化学过程。表面物理化学的重要研究方向之一是表面催     

基于新发展理念的物理化学教学探讨——以开尔文公式为例

以开尔文公式为例,探讨新发展理念在物理化学教学中的应用,把创新、协调、绿色、开放、共享的新发展理念贯穿到物理化学教学的全过程和各章节并通过教学设计展示,以促进物理化学课程的高质量发展,加快新时代物理化学课程建设的新格局,贯穿落实新发展理念,对化学、理学乃至整个高等教育的发展具有示范作用。     

两种哈密顿量划分的单参考态微扰展开式的大小一致性研究

利用一个含N个氢分子的超分子模型, 从解析的角度仔细地分析了相应于两种哈密顿量划分方式的单参考态微扰展开式前四级能量的大小一致性. 对于Epstein-Nesbet划分, 微扰展开式是大小一致的. 而对于另一种划分(Chen, F; Davidson, E. R.; Iwata, S. Int. J. Quantum Chem., 2002, 86: 256, 见公式(24)的讨论), 其展开式大小不一致. 但将它的分母作泰勒展开, 经过重新整理, 将那些大小不一致的项消去后, 得到的新微扰展开式是逐项大小一致的.     

关于吉布斯-杜亥姆方程的推导

吉布斯 杜亥姆方程是物理化学及化学热力学中的主要方程 ,在处理溶液问题时有广泛的应用 ,由其出发还可导出马居耳 杜亥姆 (Margules Duhem)等主要公式。该方程的推导方法虽然简单 ,但是在国内外流行的 2 0余部物理化学及相关教材中 ,推导方法都有问题。笔者对此进行了探讨 ,指出了错误的原因 ,并提出了正确的处理方法。     

化学热力学公式的记忆方法

物理化学尤其是化学热力学公式多、易混淆,学生记忆负担较重。介绍了巧记物理化学中热力学函数关系式和简要分析二元系统固液平衡相图的方法,并以熵变计算为例介绍了物理化学的解题技巧。     

注意热力学公式应用条件和导出条件的一致性

化学热力学中极强调公式成立的条件。一般来说,公式成立的条件应当就是公式导出过程中所用到的条件;公式也只有在满足导出条件的前提下才能被应用。然而,许多中外关于物理化学或化学热力学的著作中,对于“两相平衡时存在于两相的物质的化学位相等”这一结论,却普遍地存在着应用条件和导出条件不相一致的问题。大多数著作中对“相平衡时化学位相等”的推导是这样的:     

化学势概念的正确理解及应用

化学势概念的正确理解及应用杨永华（吉林大学化学系长春１３００２３）化学势的概念是物理化学中的基本概念之一。它在化学热力学、化学动力学、电化学及统计热力学中均有重要的应用。有关化学势的概念在各教材中都做了确切的定义和严谨的描述，但是在具体应用这一概念的...     

化学实验手段微机化的研究与应用

阐述了在化学实验手段微机化方面的研究与应用工作，尤其是重点介绍了通用型计算机辅助化学实验测量系统研制的基本过程以及该系统在物理化学实验课程教学中的应用情况。     

物理化学课程内容的编排顺序：基于“学科思维-认知规律”双重视角的观察

物理化学课程内容的编排顺序是物理化学教学中的核心问题之一,教指委发布的《化学类专业化学理论教学建议内容》对其并未明文规定,经典教材对此处理各有不同。经过对比和分析不同经典教材的编排顺序差别,可以看出物理化学的学科思维和认知规律是决定编排顺序的两大原则。依据学科思维从空间、时间、体系等3个维度为物理化学课程的核心内容画出逻辑关系图,并结合认知规律提出了多种编排内容的方式。     

Applications of automatic differentiation to the time‐dependent Schrödinger equation

A new approach based upon the Taylor series method is proposed for propagating solutions of the time‐dependent Schrödinger equation. Replacing the spatial derivative of the wave function with finite difference formulas, we derive a recursive formula for the evaluation of Taylor coefficients. The automatic differentiation technique is used to recursively calculate the required Taylor coefficients. We also develop an implicit scheme for the recursive evaluation of these coefficients. We then advance the solution in time using a Taylor series expansion. Excellent computational results are obtained when this method is applied to a one‐dimensional reflectionless potential and a two‐dimensional barrier transmission problem. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010     

Calculating the chemical potential of components of a binary solution in a plane-parallel pore

The chemical potential of components of a binary solution is calculated using the expansion of the external field potential in a Taylor series. An expansion of the chemical potential in terms of concentration-concentration direct correlation functions of all orders is obtained. For a plane-parallel pore with an exponential near-wall potential, a solution to the obtained differential equation is constructed in the smooth-inhomogeneity approximation.     

超分子体系的物理化学研究进展

本文介绍了超分子化学领域的研究进展, 评述了其中与物理化学有关的研究成果, 并从化学热力学、电化学、化学动力学、胶体与界面化学等几个主要方面加以讨论, 描述了超分子物理化学的基本框架。     

Is there a quantum definition of a molecule?

The paper surveys how chemistry has developed over the past two centuries starting from Lavoisier’s classification of the chemical elements at the end of the eighteenth century; the subsequent development of the atomic–molecular model of matter preoccupied chemists throughout the nineteenth century, while the results of the application of quantum theory to the molecular model has been the story of this century. Whereas physical chemistry originated in the nineteenth century with the measurement of the physical properties of groups of chemical compounds that chemists identified as families, the goal of chemical physics is the explanation of the facts of chemistry in terms of the principles and theories of physics. Chemical physics as such was only possible after the discovery of the quantum theory in the 1920’s. By then the first of the sub‐atomic particles had been discovered and seemingly it is no longer possible to discuss chemical facts purely in terms of atoms and molecules – one has to recognize the electron and the nucleus, the parts of atoms. The combination of classical molecular structure with the quantum properties of the electron has given us a tremendously successful account of chemistry called ‘quantum chemistry’. Yet from the perspective of the quantum theory the deepest part of chemistry, the existence of chemical isomers and the very idea of molecular structure that rationalizes it, remains a central problem for chemical physics. This revised version was published online in July 2006 with corrections to the Cover Date.     

相对活度在物理化学课程中的应用

介绍了相对活度的概念和化学势表达式的通式在物理化学课程中的一些应用,有助于学生深刻理解和系统掌握相关知识,对提高教师的授课效率和学生的学习效率均有一定的帮助。     

Calculated phase diagrams for the electrochemical oxidation and reduction of water over Pt(111)

Ab initio density functional theory is used to calculate the electrochemical phase diagram for the oxidation and reduction of water over the Pt(111) surface. Three different schemes proposed in the literature are used to calculate the potential-dependent free energy of hydrogen, water, hydroxyl, and oxygen species adsorbed to the surface. Despite the different foundations for the models and their different complexity, they can be directly related to one another through a systematic Taylor series expansion of the Nernst equation. The simplest model, which includes the potential only as a shift in the chemical potential of the electrons, accounts very well for the thermochemical features determining the phase-diagram.     

简谈普适气体常量R——贯穿普化教育的重要常量

The universal gas constant R is an important constant in physics, and one of the vital fundamental constant throughout the teaching of general chemistry. This article aims to present a general review about the universal gas constant to the science and engineering majored students, including its history, determination, physical meaning and applications in chemical education. The choice of R values under various conditions is also provided to help students better understand and master basic concepts.     

分析化学取样理论研究进展

从化学计量学角度就分析化学的取样理论研究进行了系统总结。主要包括：取样误差与研究总体的理化性质间的关系;现代数理统计的理论和方法在分析取样中的应用;分析取样的质量控制。为深入研究并完善分析取样理论做了评述及展望。