In situ growth mechanism and the thermodynamic functions of zinc oxide nano-arrays and hierarchical structure

We report the one-step synthesis of zinc oxide nanomaterials with arrays and hierarchical structure at room temperature. The zinc oxide nanomaterials can be synthesized via a simple method without catalyst. Furthermore, we explained the growth mechanisms of the two systems. In situ growth experiment provided the information of thermodynamics and kinetics, and based on that, growth mechanism was given a further explanation via the curve of in situ growth. Moreover, the relations between thermodynamic functions and the potential difference can be established by the electrochemical method. Take bulk zinc oxide reference. The thermodynamic functions of nano zinc oxide such as standard molar entropy, standard molar Gibbs free energy of formation, and standard molar enthalpy of formation can be calculated. The change rules of thermodynamic functions at different reaction times evidenced the growth mechanism more deeply. This work may contribute to the analysis of growth mechanism for nanostructures and obtain the thermodynamic functions of nanomaterials.     

全球性环境污染物多氯联苯的结构-活性相关性研究进展*

本文对全球性典型污染物--多氯联苯(PCBs) 的结构-活性相关性研究的最新成果进行了综述。给出了该类环境污染物的分组归类、结构特征与活性、毒性当量因子的应用和利用有关结构模型阐述毒性机理的研究进展, 并对将来的有关研究方向做了展望。     

导数-比导数光谱法测定硝酸根及亚硝酸根

1引言化学计量学方法由于用数学手段代替了分析化学中常用的化学分离或物理化学分离方法而日益受到人们的关注。导数光谱可消除低频背景干扰,可减少某些物质以及仪器上漂移带来的干扰,并可消除实验中由不同比色皿的透光率不同带来的干扰。本文采用Graen等提出的“减法（加法）技术”求导,从理论上推导了导数一比导数光谱法。并用实验进行了验证。2理论部分在3组分混合液的吸收光谱服从bor定律,且3物质的吸光度满足加和性时有（用Icm比色皿）式中A为混合物在波长i处的吸光度为组分a、b在i波长处的吸光系数,Ca、Cb分别为a、b物质的浓度…     

一般的高阶线性差分方程的求解研究

本文首先研究了k阶线性差分方程的解的结构,其次给出了齐次方程的基础解系的判定方法和存在条件,并得到相应齐次差分方程通解的具体表达式,最后用实例进行了验证.     

金属离子对在饮用水氯化过程中形成消毒副产物的影响的研究进展

饮用水氯化消毒的安全性问题一直是水处理领域的研究热点之一.由于天然水体中矿物质的普遍存在以及微量重金属污染的经常发生,开展金属离子对消毒副产物形成的影响规律研究,对于实际饮用水消毒副产物的控制及其对人类健康的影响评价都具有重要意义.本文以目前研究较多的一些典型金属离子和金属氧化物（如铜离子、铁离子、二氧化锰和二氧化铅等...     

Modeling molecular acidity with electronic properties and Hammett constants for substituted benzoic acids

Molecular acidity is an important physiochemical property essential in many fields of molecular studies, but an efficient and reliable computational approach to make accurate predictions is still missing. In this work, based on our previous studies to use gas phase electronic properties such as molecular electrostatic potential and valence natural atomic orbitals of the acidic atom and leaving proton, we demonstrate here that different approaches can be employed to tackle this problem. To that end, we employ 196 singly, doubly, and triply substituted benzoic acids for the study. We show that two different approaches are possible, one focusing on the carboxyl group through its localized electronic properties and the other on the substituting groups via Hammett constants and their additivity rule. Our present results clearly exhibit that with the linear models built from the singly substituted species, one can accurately predict the pK(a) values for the doubly and triply substituted species with both of these two approaches. The predictions from these approaches are consistent with each other and agree well with the experimental data. These intrinsically different approaches are the two manifestations of the same molecular acidity property, both valid and complementary to each other.     

An Ergodic Process of Zero Divergence-Distance from the Class of All Stationary Processes

An ergodic process Q is constructed such that the divergence-rate D(P Q) is zero for all stationary processes P. The process Q is constructed using the cutting and stacking method.     

beta-Diketiminate aluminium complexes: synthesis, characterization and ring-opening polymerization of cyclic esters

A series of aluminium alkyl complexes (BDI)AlEt(2) (3a-m) bearing symmetrical or unsymmetrical beta-diketiminate ligand (BDI) frameworks were obtained from the reaction of triethyl aluminium and the corresponding beta-diketimine. The monomeric structure of the aluminium complex 3k was confirmed by an X-ray diffraction study, which shows that the aluminium center is coordinated by both of the nitrogen donors of the chelating diketiminate ligand and the two ethyl groups in a distorted tetrahedral geometry. Attempt to synthesize beta-diketiminate aluminium alkoxide complexes by the reactions of monochloride complex "(BDI-2a)AlMeCl" (4) with alkali salts of 2-propanol gave unexpectedly an aluminoxane [(BDI-2a)AlMe](2)(micro-O) (7) as characterized by X-ray diffraction methods. Complexes 3a-m and [(2,6-(i)Pr(2)C(6)H(3)NCMe)(2)HC]AlEt(2) (8) were found to catalyze the ring-opening polymerization (ROP) of epsilon-caprolactone with moderate activities. The steric and electronic characteristics of the ancillary ligands have a significant influence on the polymerization performance of the corresponding aluminium complexes. The introduction of electron-donating substituents at the para-positions of the aryl rings in the ligand resulted in an apparent decrease in catalytic activity. Complex 3h showed the highest activity among the investigated aluminium complexes due to the high electrophilicity of the metal center induced by the meta-trifluoromethyl substituents on the aryl rings. The increase of steric hindrance of the ligand by introducing ortho-substituents onto the phenyl moieties also resulted in a decrease in the catalytic activity. Although the viscosity average molecular weights (M(eta)) of the obtained poly(caprolactone)s increased with the enhancement of monomer conversion, the ROPs of epsilon-caprolactone initiated by complexes 3a-m and 8 were not well-controlled, as judged from the broad molecular weight distributions (PDI = 1.66-3.74, M(w)/M(n)) of the obtained polymers and the nonlinear relationship of molecular weight versus monomer conversion.     

分派问题一种标号算法

文章采用一定技巧,把求最短路的Ｄｉｊｋｓｔｒａ算法用于求解分派问题,得到一种标号算法,计算复杂性仅为Ｏ（ｎ２）,比以往的算法减少了一个数量阶Ｏ（ｎ）。