流动中边界面的识别

将流场的边界面定义为流动表面,在该表面上剪切率为0,并利用所建议的程序求解.该方法是基于速度向量场的计算,与坐标系的选择无关.     

Large Time Behavior of a Weak Solution for Non-Newtonian Flow

This paper concerns large time behavior of a regular weak solution for non-Newtonian flow equations. It is shown that the decay of the solution is of exponential type when the force term is equal to zero and the domain is bounded. Moreover, the ratio of the enstrophy over the energy has a limit as time tends to infinity, which is an eigenvalue of the Stokes operator.     

KDP晶体的高温热行为及其热脱水反应动力学研究

采用热重(TG-DTA)、定压比热(Cp)和原位高温红外反射光谱等热分析手段研究了四方相KDP晶体室温至260℃之间的高温热行为.实验发现:KDP晶体在183℃附近并未发生四方相到单斜相的相变或发生脱水反应;且晶体于207 ～ 210℃左右开始分解,随温度上升,分解过程分为三个阶段.第一个分解阶段出现P2O72-基团的吸收峰,意味着第一阶段的分解朝着K4P2O7的方向进行;第二阶段是第一阶段产生的中间态产物继续分解的过程;第三个分解阶段为前两个过程的继续分解,最终KDP完全分解为KPO3.通过Kissinger法,根据热重数据计算了KDP在260℃前两个明显的分解过程的动力学参数,其热脱水活化能分别为101.7 J·mol-1和112.4 J·mol-1.     

Solution Crystallization Behavior of Linear and Star-shaped Poly(ethylene glycol)-b-Poly(ε-caprolactone) Block Copolymers简

Lamellar crystals of diblock, triblock and four-arm poly（ethylene glycol）-b-poly（ε-caprolactone） （PEG-b-PCL） crystalline-crystalline copolymers were successfully obtained from their solution. Morphology and structure of lamellar crystals of crystalline-crystalline copotymers were investigated using tapping-mode atomic force microscopy （AFM） and selected area electron diffraction （SAED）. All of these samples showed the truncated-lozenge multilayer basal shapes with central screw dislocation or central stack, which were all obtained simultaneously from the oil bath. The diffraction pattern of PEG block lamellar crystal is attributed to the （120） diffracting planes and the pattern of PCL block lamellar crystal is attributed to the （1 I0） diffracting planes and （200） diffracting planes according to the SAED results. Four （110） crystal growth planes and two （200） crystal growth planes are discovered for the PCL blocks, but the （120） crystal growth planes of PEG blocks are hided in the figure of AFM. The crystalline structure of the four-arm copolymers （FA） is more disorder and confused than that of the diblock （DI） copolymer and the striated fold surface structures of lamellar crystals of four-arm copolymers （FA） are smoother than these of linear analogues, owing to the confused crystallization of blocks caused by the mutual restriction of blocks and the hindrance of the dendritic cores. In addition, the aspect ratio of FA is greater than that of the others. It is hypothesized that there are two reasons for the change of aspect ratios. First, the （200） diffracting planes of PCL crystals grew slowly compared to their （110） diffracting planes because of difference in the energy barrier. Secondly, edge dislocations on the （200） diffracting planes are also responsible for the variation of the aspect ratio. Consequently, the crystalline defects are augmented by the competing blocks crystallized simultaneously and the hindrance of the dendritic cores.     

含酰胺结构超低膨胀聚酰亚胺薄膜的热膨胀行为

采用联苯二酐与3种含酰胺结构二胺制备了具有不同取代基团的聚酰胺-酰亚胺薄膜,考察了酰胺结构对薄膜力学、耐热及尺寸稳定性的影响,研究了聚集态结构与薄膜热膨胀行为的关系和规律.该系列薄膜具有超高强度和优异的耐热性能,拉伸强度高达280. 5 MPa,玻璃化转变温度在389～409℃,并在30～300℃温度范围内表现出超低负膨胀,热膨胀系数(CTE,ppm/℃,即106cm·cm-1·℃-1)在-3. 05～-1. 74ppm/℃之间.聚集态分析结果表明,酰胺结构使分子链间形成了强氢键相互作用,分子链在薄膜面内方向高度有序取向,并在膜厚方向堆积更为紧密,使薄膜表现出热收缩现象.通过不同体积大小的取代基团进一步调控分子链间相互作用及排列堆积,可实现薄膜在高温下近乎零尺寸形变,为设计制备超低膨胀聚合物基板材料提供了新思路.     

BBDMS-PPV/ITO界面结构ADXPS研究

聚合物电致发光器件（Polymer Electroluminescent Device,PLED)已显示出广阔的应用前景^[1-6]。已往人们比较重视阴极材料的选择及相关金属与有机界面的研究^[7],而有关发光层或空穴传输层与阳极ITO膜之间的界面结构及化学问题则少见报道。事实上,ITO膜与有机层之间的作用对器件的可靠性及寿命具有更为严重的影响^[8,9]。由于异质界面的过渡层结构复杂,以纳米尺度上化学组成是非计量比的,因此对这种极薄的埋藏界面的研究方法还需进一步探索。本文通过模型试样制备和变角X射线光电子谱（ADXPS）技术,对PLED中共轭导电聚合物聚2,5－二（二甲基正丁基硅基）对苯乙烯撑（BBDMS－PPV）与阳极ITO膜所形成的界面结构进行了初步研究。     

双硫腙包覆钛酸锶钡粉体对水中铅的吸附行为

用草酸化学共沉淀法合成了钛酸锶钡(BST)粉体, 以双硫腙为表面修饰剂, 采用静态浸渍法对钛酸锶钡粉体进行表面包覆修饰, 制备出新型固态粉体吸附剂. 利用X射线衍射(XRD)、扫描电镜(SEM)和傅立叶变换红外光谱(FTIR)进行了表征. 研究了该吸附剂对水中铅的吸附行为. 结果表明: 双硫腙通过与钛酸锶钡表面羟基形成氢键作用包覆于该粉体上; 当吸附介质pH值大于4时, 该吸附剂对水中的铅有较强的吸附能力; 室温下, 5 min内吸附达到平衡. 其吸附行为符合Langmuir吸附等温模型和HO准二级动力学方程式, 吸附焓变(ΔH)为19.42 kJ•mol^－1, 活化能(E_a)为22.187 kJ•mol^－1, 该吸附过程是吸热的物理过程. 吸附在双硫腙包覆钛酸锶钡粉体上的铅, 可用1 mol•L^－1的硝酸溶液进行洗脱. 建立了吸附富集、火焰原子吸收法测定水中铅的新方法, 应用于地表水和自来水中铅的测定, 取得了令人满意的结果.     

Theoretical Study of NO Dimer Adsorption and Dissociation on the CuCr2O4 （100） Surface

Theoretical simulation of the adsorption and dissociation of two NO molecules at the Cu^2＋, Cr^3＋ and bridge Cr^3＋ sites （b-Cr^3＋） on the normal spinel CuCr2O4 （100） surface has been carried out by density functional theory calculations. The results show that the formed N-down and O-down NO dimers are negatively charged. The formation of stable O-down dimers on the surface leads to the great elongation of N-O bond, which contributes to the NO reduction. The transition-state calculations indicate that the decomposition of O-down NO dimer at the b-Cr^3＋ site is most favorable and N2O is the major reduction product.     

界面移动法测定离子迁移数实验的优化

在基础物理化学实验界面移动法测定离子迁移数中,针对传统实验方案所用镉电极存在的不足之处,改用铜电极进行了平行对比实验,发现采用铜电极的实验方案在保证实验数据有良好准确度的前提下,既能降低电极材料的毒性,也能降低实验相关设备的配置要求。     

钍试剂Ⅱ及铍(Ⅱ)-钍试剂Ⅱ电化学行为的研究——Ⅰ.铍(Ⅱ)-钍试剂Ⅱ配合物吸附电流的研究和应用

本文研究了铍(Ⅱ)-钍试剂Ⅱ在EDTA、二苯胍、氨-铵缓冲溶液(pH9.5)中的电极行为和电流性质,并对有关机理进行了探讨。提出痕量铍的测定方法,线性范围为0.0005～0.1μg/ml。检出限为0.2ngBe(Ⅱ)/ Ml。用于煤飞灰中铍的直接测定,操作简单,结果满意。