热动力学对比进度法IV. 热导式热量计的单参数理论模型与热谱重建

本文建立了热导式热量计的单参数理论模型, 在此基础上系统地提出了热谱重建法, 并结合热动力学对比进度法, 对几个化学反应体系进行了热动力学研究。实验结果验证了本文方法及其理论基础的正确性。     

热动力学对比进度法IV. 热导式热量计的单参数理论模型与热谱重建

本文建立了热导式热量计的单参数理论模型, 在此基础上系统地提出了热谱重建法, 并结合热动力学对比进度法, 对几个化学反应体系进行了热动力学研究。实验结果验证了本文方法及其理论基础的正确性。     

平行反应的热动力学研究法

根据热动力学基本理论, 推导了平行准一级反应和平行准一二级反应的热动力学方程, 建立了热谱解析平行反应动力学参数的热动力学研究法, 并利用该法研究了两个模拟平行反应体系的热动力学, 实验结果验证了方法的正确性.     

热动力学对比进度法V. 连续一级反应的热动力学研究法

本文导出了连续一级反应动力学和热动力学的对比进度方程, 建立了连续一级反应热动力学的数学模型。根据该模型, 可由一次实验的热谱数据同时解析出两步反应的速率常数和摩尔反应焓。采用热导式热量计研究了己二酸二乙酯皂化反应的热动力学, 实验结果验证了本文热动力学模型的正确性。     

热动力学对比进度法V. 连续一级反应的热动力学研究法

本文导出了连续一级反应动力学和热动力学的对比进度方程, 建立了连续一级反应热动力学的数学模型。根据该模型, 可由一次实验的热谱数据同时解析出两步反应的速率常数和摩尔反应焓。采用热导式热量计研究了己二酸二乙酯皂化反应的热动力学, 实验结果验证了本文热动力学模型的正确性。     

时间参量法Ⅱ.简单级数反应的热谱面积差法

从简单级数反应的热动力学方程出发,将时间作为已知参量,提出了一种新的热动力学研究法——简单级数反应的热谱面积差法.该法不需反应进行到底便可求解化学反应的速率常数.实验结果验证了方法的正确性.     

热动力学的滴定量热法研究2: 考虑热滞后的一级 反应精确热动力学

建立了滴定热量计滴定期一级反应热动力学的精确数学模型,并在此基础上探讨了热滞后对此模型的影响。经过改进的模型大大提高了利用滴定热量计获取动力学数据的准确度,且扩大了滴定热量计研究的一级反应体系的范围,使其适用反应的半衰期可以小至十几秒。本文采用此模型,研究了去离子水溶剂中乙酸乙酯皂化反应的热动力学,实验结果验证了该模型研究一级反应热动力学的适用性。     

热动力学的滴定量热发研究 I.一级反应的热动力学

用滴定量热法分别建立了滴定期和滴反应期一级反应热动力学的数学模型，根据这两种模型，均可由一次实验的滴定量热曲线同时解析出一级反应的速率常数和摩尔反应焓。用滴定量热法研究了去离子水溶剂中乙酸乙酯皂化反应的热动力学，实验结果验证了本文用滴定量热法研究一级反应热动力学的适用性。     

热动力学的滴定量热法研究2: 考虑热滞后的一级 反应精确热动力学

建立了滴定热量计滴定期一级反应热动力学的精确数学模型,并在此基础上探讨了热滞后对此模型的影响。经过改进的模型大大提高了利用滴定热量计获取动力学数据的准确度,且扩大了滴定热量计研究的一级反应体系的范围,使其适用反应的半衰期可以小至十几秒。本文采用此模型,研究了去离子水溶剂中乙酸乙酯皂化反应的热动力学,实验结果验证了该模型研究一级反应热动力学的适用性。     

热动力学的滴定量热法研究 Ⅰ.一级反应的热动力学

用滴定量热法分别建立了满定期和停满反应期一级反应热动力学的数学模型．根据这两种模型，均可由一次实验的滴定量热曲线同时解析出一级反应的速率常数（k1）和摩尔反应治（△rHm）．用液定量热法研究了去离子水溶剂中乙酸乙酯皂化反应的热动力学，实验结果验证了本文用滴定量热法研究一级反应热动力学的运用性．     

Ethanol loading in an inductively coupled plasma

Changes to the fundamental and analytical parameters of a plasma have been investigated when ethanol has been added to aqueous or organic solutions. Excitation temperature, electron number density, and intensity of the H(alpha) line increased when ethanol has been added to aqueous solutions, while an electron density decrease and signal reduction have been found when ethanol has been added to xylene. The sensitivity has been improved for all ethanol concentrations when water has been the solvent, but the reverse has been found for xylene solutions.     

Polymers from 12-hydroxymethyltetrahydroabietic acid and its vinyl and acrylate esters

12-Hydroxymethyltetrahydroabietic acid has been homopolymerized by melt condensation and homopolyester has been obtained. Vinyl 12-hydroxymethyltetrahydroabietate has been prepared from 12-hydroxymethyltetrahydroabietic acid by vinyl interchange procedure with vinyl acetate, and has been homopolymerized, copolymerized with vinyl chloride, vinyl acetate, and terpolymerized with styrene and acrylonitrile. The acrylate ester of 12-hydroxymethyltetrahydroabietic acid also has been prepared from 12-hydroxymethyltetrahydroabietic acid and acrylyl chloride. The acrylate thus obtained has been homopolymerized and copolymerized with vinyl chloride and vinyl acetate. Polymers thus obtained have been characterized.     

对络合返滴定过程的理论探讨

推导了络合返滴定曲线方程 ,绘制了络合返滴定曲线和计算了pN突跃。并利用双曲正弦函数的性质 ,提出了内含最大敏锐指数的络合返滴定误差计算公式 ,从而获得了计算络合返滴定pN突跃范围的公式。     

Ionization probability of the hydrogen atom suddenly released from confinement

The problem of the stability of a confined atom when it is extracted from the confining cavity has been investigated, modeled by a spherical hard wall potential. The ionization probability when the atom is released from confinement has been obtained. The dependence of the ionization probability on the confinement radius and on the quantum numbers of the initial confined state has been studied. The probability density function of the ionization energy of the ejected electron has been obtained for the different cases considered. The oscillatory structure of this distribution function, with a principal maximum located in the neighborhood of the energy of the initial state and minima very close to zero has been elucidated. The sudden approximation has been applied and the analytic continuation method has been used to calculate the different stationary states.     

Action of trypsin on a nucleoprotein from sturgeon gonads

A nucleoprotein has been isolated from the gonads of the Caspian sturgeon and its composition has been determined. It has been shown that it contains 55% of DNA, 2% of RNA, 36% of protamines, and about 7% of nonprotamine proteins of nonbasic nature. The nucleoprotein has been hydrolyzed with trypsin, and the amino acid compositions of some hydrolysis products have been studied. On the basis of the results obtained, the hypothesis has been put forward of a possible linkage of the DNA with the basic proteins. It has been shown that protamines react with the DNA through the basic amino acid residues located at various regions of their molecules.     

Ethanol loading in an inductively coupled plasma

Changes to the fundamental and analytical parameters of a plasma have been investigated when ethanol has been added to aqueous or organic solutions. Excitation temperature, electron number density, and intensity of the H line increased when ethanol has been added to aqueous solutions, while an electron density decrease and signal reduction have been found when ethanol has been added to xylene. The sensitivity has been improved for all ethanol concentrations when water has been the solvent, but the reverse has been found for xylene solutions.     

Jahn-Teller畸变后D2h C60--的电子结构和光谱

用INDO系列方法对C60自由基负离子进行了几何构型优化,得到D2h对称性的构型,表明C60--确实发生了Jahn-Teller畸变,导致单键变短,双键变长,形成15种键,9种不等同碳原子,其额外负电荷主要分布在赤道附近。以此构型为基础,计算了C60--的电子光谱,与实验值吻合,在对光谱进行理论指认的同时讨论了光谱红移的原因。     

Investigation of the role of the C-PCM solvent effect in reactivity indices

It has been shown recently, how the coupling between electronic degrees of freedom and vibrational modes is reflected in the properties of molecules. The necessary derivatives have been analyzed and their thermodynamic relations were demonstrated. This present work is focused on the analysis of a molecular system, under the influence of C-PCM induced solvent effect. The analysis is based on reactivity indices derived from DFT. The shift of frequency for diatomic molecules has been obtained. It has been identified as chemical force effect. The role of nuclear reactivity indices has been emphasized. This concept has been extended to obtain regional chemical potential values within C-PCM model for polyatomic molecules.     

Interaction between polyelectrolyte gels and surfactants of opposite charge

Investigations dealing with fundamental aspects of the interaction between covalently cross-linked polyelectrolyte gels and oppositely charged surfactants are reviewed. For reference, a brief summary of results from recent studies of associative phase separation in linear polyelectrolyte/surfactant mixtures is also included. It is found that great progress has been made in several sub-areas since the first reports appeared in the early 1990's. The frequently observed surfactant-induced volume transition has been studied in detail. Its relation to associative phase separation in solutions and the important role of polyion-mediated micelle–micelle attractions have been clarified. Phase separation in gels, in particular core/shell structures, has been studied in great detail. The importance of network mediated elastic forces between two phases coexisting in the same gel has been demonstrated and some of their consequences have been clarified. Hydrophobic interactions between polyion and micelle have been found to have strong effects on both binding and swelling isotherms. The effect of salt, which has been found to sometimes disfavor, sometimes promote surfactant binding, is quite well understood. The microstructure of gels in the collapsed state has been studied in great detail and is often found to be highly ordered, resembling liquid crystalline phases common to surfactant/water systems. The kinetics of surfactant binding and the associated volume change has been investigated to some extent. Progress has been made for gels displaying phase separation during the volume transition.     

Enantiorecognition of profens by capillary electrophoresis using a novel chiral selector eremomycin

The evaluation of a macrocyclic glycopeptide antibiotic, eremomycin, as a chiral selector in capillary electrophoresis (CE) has been performed. The stability of eremomycin in solution and capillary electrolyte, as well as its optical and electrophoretic properties have been discussed. The effect of experimental parameters influencing the enantioseparation of several profens has been studied. Excellent enantioseparation of profens has been achieved and migration order has been validated. Comparison of enantioseparations of profens in CE by using eremomycin-mediated electrolytes and in HPLC with eremomycin immobilized on silica has revealed similar trends for both methods.