低浓度三分子双曲型反应-扩散方程的非线性理论

建立了低浓度三分子模型双曲型反应-扩散的波动方程，研究了定态的稳定性，重点研究了Turing不稳定问题，指出双曲型方程的Turing不稳定不受扩散系数不相等（Dx≠Dy）这一条件的约束，进而对方程作近似的分支分析，讨论了出现极限环的条件，最后对极限环和定态不稳定作了数值研究．     

土壤重金属生物有效性的评价方法

土壤重金属污染已成为人们广泛关注的全球性的环境问题之一。重金属生物有效性已成为污染生态学研究的前沿。对国内外土壤重金属生物有效性评价方法的研究进展作了简要综述，并对今后的研究作了展望。     

电化学DNA生物传感器的研究现状

对电化学DNA生物传感器研究的现状，主要对1996-2006年期间的工作作了评述。内容涉及此类生物传感器的研究及DNA修饰电极与小分子的相互作用，还对此领域的未来发展作了展望（引用文献49篇）。     

乙酰乙酸乙酯－BR化学振荡反应的研究

本文首次报道了乙酰乙酸乙酯－ＩＯ－３－Ｈ２Ｏ２－Ｍｎ２＋－Ｈ２ＳＯ４体系的化学振荡反应。研究了各种因素对振荡反应的影响，测定了最佳反应条件及振荡反应的浓度范围。研究了温度变化对振荡反应的影响，并计算了振荡反应的表观活化能，对振荡反应产物进行了分析，并测定了体系主要反应的计量关系，采用ＵＶ法对金属离子的作用和催化机理作了研究，探索了ＢＲ反应中Ｉ２的产生机理及消耗机理，对体系中有关反应物的作用作了说明。在ＦＫＮ机理的基础上，对ＢＲ反应的自催化反应步骤和控制机理进行了初步的探索，并对有关实验现象作了说明。     

聚合色素的研究 XI.蒽醌型聚酯色素的合成与可加工性

用熔融缩聚法合成蒽醌型聚酯色素，研究了色素用量、反应温度和反应时间等对反应的影响，对用所合成聚合色素着色的聚酯的可加工性能作了初步的研究。     

固相光度法的研究进展

就固相光度法研究现状，按透射法和反射法介绍了其基本原理和特点，并对近年来的应用和研究进行了回顾和评述，对其发展动向作了展望。     

黄磷中砷的测定方法的探讨

综述了黄磷中的砷含量测定的各种方法，对研究新方法的可能性及方法作了探讨     

碳酸盐矿物的微观喀斯特研究

本文利用扫描电镜，通过对碳酸盐岩试样的观察，系统研究了其矿物特征、微观喀斯特作用机理及喀斯特孔隙类型。研究表明，表面反应控制下的选择性溶蚀是微观喀斯特作用的最本质特征，碳酸盐矿物的菱形解理是选择性溶蚀的优势点，岩石结构控制了喀斯特孔隙的发育和演化。     

煤沥青的电化学加氢：Ⅲ.中间相沥青的电化学加氢

在隔离式电解槽中，以泡沫铅作阴极，铂作阳极，饱和甘汞电极作为参考电极，以ＤＭＦ＋ＥｔＯＨ＋Ｈ２Ｏ＋Ｂｕ４ＮＢｒ作电妥体系，对太原钢铁公司焦化厂煤沥青为原料制得的中间相沥青进行了电化学加氢的研究，考察了电解电位，温度，溶剂浓度等对国氢的影响。     

气相渗透法中的溶质吸附效应

在气相渗透仪上，用四个低分子量有机化合物和五个已知平均分子量的窄分布聚苯乙烯低聚体，对ＶＰＯ方法中的溶质吸附效应作了研究，提出了一种对吸附效应作改正的方法．所得结果表明，在扣除溶质吸附效应后，仪器常数Ｋ无分子量依赖性，提高了测定低分子量聚合物数均分子量的准确性．     

溶剂化效应对6-亚甲基环戊二烯酮与HCN的反应机理影响的理论研究

在B3LYP/6-311+G**计算水平上, 采用导体极化连续模型研究了溶剂化效应对6-亚甲基环戊二烯酮与HCN反应生成主要产物b类酸的反应机理的影响. 计算结果表明, 在溶剂中的反应机理与在气相中的反应机理一致. 溶剂化效应使反应路径中各驻点的自由能降低, 稳定化了各物质. 溶液中的活化自由能与气相相比也有所降低, 反应更容易发生, 其中CC进攻方式的活化自由能降低得更多.     

分子聚集体的光谱模拟

采用Frenkel激子理论研究了一维线性和二维人字形分子聚集体的吸收和发射光谱.通过引入激子离域长度的概念,将聚集体与单分子的光谱线形函数联系起来.计算的光谱结果表明,聚集体的光谱与分子在聚集体中的排列紧密相关.分析了一维J聚集光谱发生红移以及二维人字形分子聚集体吸收光谱形成J和H激子谱带的内在原因.模拟得到的聚集体的...     

Application of exploratory data analysis for the characterization of tubular wells of the North of Brazil

Roraima is located in the extreme North of Brazil, in the Western Amazon Region. The groundwater has an important role in the public supply of potable water on the Roraima State. The objective of this work is the application of PCA (Principal Component Analysis) and HCA (Hierarchical Cluster Analysis) for the characterisation of tubular wells of the Roraima State, as regards physical–chemical composition of water. The parameters analyzed in laboratory were the following ones: pH, electric conductivity, Total Hardness, Total Alkalinity, Bicarbonate, Calcium, Potassium, Magnesium, Nitrate, Chloride, Total Iron. The physical–chemical analyses, were carried out during the months of September and October 2000 (winter, period of rains). The laboratory analysis was performed using classical methods (titrimetry and uv–visible spectroscopy), the samples were processed in agreement with the Standard Methods for Examination of Water and Wastewater.The physical–chemical analyses, were accomplished in September and October 2000. In physical–chemical terms, the groundwater samples analyzed do not indicate any restriction to human consumption and the two chemometric methods of exploratory data analysis: PCA and HCA are efficient for the discrimination of bicarbonated (tubular wells locateds in the South of the Roraima State) and not bicarbonated (tubular wells locateds in the North of Roraima) groundwater.     

掺杂剂对聚乙炔性质影响的理论研究

以多烯烃模拟聚乙炔链,用CNDO/2方法讨论了各种掺杂剂对聚乙炔性质的影响,掺杂剂使孤子宽度收缩变窄,且p型掺杂剂比n型掺杂剂的影响更大,掺杂剂影响聚乙炔链中的电荷密度波,使电荷主要集中分布于掺杂剂附近的碳原子上。掺杂碱金属时,掺杂剂原子的最高占据轨道与聚乙炔中孤子自旋轨道之间的作用由Li到K依次增强,解释了ESR实验结果。     

Thermochemistry of dissolution of sodium alkylsulfonates

The effect of temperature on the solubility of ionic surfactants was interpreted in terms of standard enthalpy and entropy of dissolution at reference temperature by considering the change in the heat capacity. The significant value of the latter quantity causes the curvature of the function logarithm of equilibrium constant (or solubility) vs. the reciprocal thermodynamic temperature. The solubility data for several sodium n-alkylsulfonates, published by Saito, Moroi, and Matuura, were interpreted by nonlinear regression analysis. It was found that both the enthalpy and entropy of dissolution decrease with the chain length. The heat capacity increases in the course of the dissolution process.     

Surface Composition of Palladium Blacks of Different Methods of Preparation

The surface composition of two Pd blacks was monitored by XPS. The samples contained ∼75% Pd with carbon and oxygen impurities. The sample reduced in aqueous medium contained also Na plus K impurities (∼1% each). Their possible organic counter ions appeared in the carbon region although no quantitative agreement could be established. The possible influence of the possible surface dipoles (with the alkali pointing outwards) on selective hydrogenation processes is pointed out. This revised version was published online in June 2006 with corrections to the Cover Date.     

The effect of carbohydrates on the heat of fusion of water

The freezing of aqueous solutions of carbohydrates has been studied using differential scanning calorimetry. The reduction in the molar heat of fusion of water is attributed to the nonfreezing of a proportion of the water in the presence of the dissolved carbohydrate. The effects of concentration and molecular weight have been investigated.     

固体核磁共振弛豫在高分子研究中的应用

本文综述了近年来固体核磁弛豫方法在高分子研究中的应用，共分５个部分加以介绍：（１）自旋－晶格弛豫过程；（２）在旋转坐标系中的＾１３Ｃ自旋－晶格弛豫过程；（３）交叉极化速率和旋转坐标系中的＾１Ｈ自旋－晶格弛豫过程；（４）自旋－自旋弛豫过程；（５）动态结构导致的线形变化。本文主要讨论磁性核的各种弛豫过程以及它们与分子结构和分子运动的关系。     

十七种香烟中九种金属元素的含量分析

用原子吸收法测定了十七种香烟中锌、铜、铁、锰、铬、镍、钾、钙、镉的含量。结果表明,不同种类香烟中所含九种金属元素有一定的差异,低档香烟所含金属元素的量比高、中档香烟高,烤烟型香烟比外香型香烟低。本结果为烟草的栽培,炮制以及探讨香烟中金属元素对人体危害的研究提供了有用数据。     

Improved method of sampling and determination of traces of hydrogen sulphide

A sensitive spectrophotometric method for the determination of traces of hydrogen sulphide in environmental samples, after fixation as zinc sulphide, is reported. The method is based on the reaction between iodate and sulphide in the presence of excess of chloride ions. The resulting iodine chloride complex is ion-paired with Pyronine G and the product is extracted into benzene. The colour system obeys Beer's law over the range of 0.05–0.6 g of hydrogen sulphide. The coefficient of variation is 6.3% for 10 determinations of 0.3 g of hydrogen sulphide. The suitability of the method for monitoring hydrogen sulphide in atmospheric air in the vicinity of possible sources such as a sewage treatment plant and in wastewater has been evaluated.