恒温恒容平衡体系中的反应物转化率随浓度变化规律的探讨

对恒温恒容条件下的可逆平衡体系在增大反应物浓度（即增大反应物的投料）后自身转化率的变化规律,进行了数学推导,得到了其转化率可能减小、不变或增大的结论。通过实例分析佐证了该结论的正确性,以避免在课堂教学和命题中出现错误。     

含Eu(OC3H7)xβy配合物的发光有机玻璃的性能研究

合成了含β二酮(HTTA或HDBM)的稀土铕配合物Eu(OC3H7)xβy,并与MMA单体通过本体聚合获得PMMA/Eu(OC3H7)xβy聚合物,研究稀土配合物中x与y的大小对聚合物性能的影响.结果表明:PMMA/Eu(OC3H7)xβy聚合物能发射很强的Eu3 离子的特征荧光,其中当x=3(y=0)时,荧光强度最小,当y=2(x=1)时,荧光强度强且与y=3(x=0)时相当;x与y的大小对聚合物的溶解性及微观形貌都有一定的影响.     

凝胶渗透色谱法峰加宽改正问题——Ⅰ.Tung方程的性质及一种在数值计算中寻求其稳定解的方法

本文介绍了 Tung方程的性质,证明了当峰加宽函数 G(x,y)是一δ-函数时,Tung方程的稳定解是存在的。由数值计算方法建立了条件数 K(G)与h·△y的关系,这里h是柱加宽因子,△y是计算间隔。最后建议一种在数值计算中寻求Tung方程稳定解的方法。     

反映工艺条件对管式反应器催化反应影响的转化率方程

根据幂指函数g(u))=ua+bu的特点,借用"虚拟反应组分"和"变动级数"的概念,提出了管式反应器系统中反应转化率与工艺条件的关系式XM=1-exp[-exp(A+B/Tr+CTr)Prnp0+np1Prτnrr0+nr1τrm∏i=1yniy0+ny1y1].为了验证该转化率方程的普适性,考察了二乙苯催化脱氢、乙苯...     

铸态Mg-Sm-Gd-Zn-Zr合金微观组织与力学性能研究

采用光学显微镜、X射线衍射仪、扫描电子显微镜、透射电子显微镜、拉伸试验机研究了铸态Mg-xSm-yGd-Zn-Zr(x = 3,y =5;x = 4,y=4;x = 5,y=3(％,质量分数))合金的微观组织和力学性能.铸态合金中存在面心立方结构的(Mg,Zn)3(Sm,Gd)相,a = 0.726 nm.三种铸态合金...     

微乳液法合成白光LED NaLu(MO_4)_2:Eu~(3+)/Eu~(3+),Tb~(3+)(M=W,Mo)荧光粉

采用微乳液法制备Na Lu(WO4)2-x(Mo O4)x∶8%Eu3+(x=0,0.5,1.0,1.5,2.0)/y%Eu3+,5%Tb3+(y=1,3,5,7,9)系列荧光粉。通过X射线衍射(XRD)表征,所制样品的X射线衍射峰与标准卡片PDF#27-0729基本吻合,表明所制的样品为白钨矿结构,属于四方晶系。扫描电镜(SEM)显示制备的纳米粒子是梭子状的,粒径大约是110 nm。激发发射光谱显示,在Eu3+离子掺杂物质的量分数为8%时,Na Lu(WO4)(Mo O4)∶Eu3+发光强度最大。Na Lu(WO4)2-x(Mo O4)x∶8%Eu3+(x=0,0.5,1.0,1.5,2.0)荧光粉在nMo/nW比达到1∶1(x=1)时发光强度最大,强烈的红光发射表明该材料可用于白光LED材料。该荧光粉在268、394和466 nm波长光激发下分别发出橙红色、黄色和淡黄色光,可以满足不同光色需要。Na Lu(WO4)(Mo O4)∶y%Eu3+,5%Tb3+(y=1,3,5,7,9)荧光粉,随着y值增大,从绿光区(x=0.278,y=0.514)进入白光区(x=0.356,y=0.373),(x=0.278,y=0.313),同时观察到Tb3+到Eu3+有效能量传递。     

正压准地转模式的谱和扰动的演变

本文详细研究了正压准地转模式的谱这一经典而未完全解决的问题,取基流为平直的(y),得到离散谱即为通常的标准模;而实数域为连续谱,相应谱函数有界,但其微商无界而可积。文中指出,任意扰动可分解为两部份之和:与离散谱对应的部份φ′d(x,y,t)和与连续谱对应的部份φ′c(x,y,t)。利用离散谱的广义“加权正交性”可以方便地求出φ′d。证明当t→∞时,φ′c连同其能量E′c和y方向的尺度l_c趋向于零。文中还提出用有限差分法计算谱和谱函数,这方法保持原问题的整体性质以及不稳定判据。当格点数为有限时,虽然连续谱被歪曲为计算离散谱,但在相当长时段内φ′c的演变特性仍可得到正确反映,且当格距趋于零时,在内计算谱点越来越密,而趋于连续分布。     

NixZry(x:y=1∶2或2∶1)团簇的量子化学研究

根据化学键理论和拓扑学原理,设计了非晶态团簇NixZry(x:y=1∶2 或2∶1, x+y≤9)的几十种可能的构型,并应用量子化学从头算方法对它们的几何构型进行了优化,分析比较了这些构型的能量和稳定性。结果表明对于NixZry(x:y=1∶2)低对称性的平面构型最稳定,而NixZry(x:y=2∶1)三棱柱构型最稳定。这可能是由于两者外层价电子的数量差异所致： Zr仅有4个价电子,较适宜配位数低的平面构型,而Ni（4s23d8),更适宜立体构型。     

双功能催化剂Nix/MgyAl2O y+3用于丁酮烷基化反应

以Nix/zMgy/zAl2/z(OH)2(CO3)1/z(z=x+y+2,x=0.2、1,5≤y≤11.8)水滑石为前驱体,经高温焙烧和H2还原后得到了一系列可用于甲醇-丁酮(MEK)烷基化反应的Nix/MgyAl2Oy+3(x=0.2、1,5≤y≤11.8)双功能催化剂,并采用X射线衍射(XRD)、透射电子显微镜(TEM)、程序升温还原(TPR)、程序升温脱附(TPD)等技术对催化剂的结构和形貌进行了表征。活性实验结果发现Ni/Mg9Al2O12催化剂具有较好的活性,在常压、温度280℃、原料液时空速(LHSV)6.0 h-1的条件下,丁酮的转化率为61.6%,3?戊酮(DEK)和3?甲基?2?丁酮(MIPK)的选择性分别为45.0%和17.7%。表征结果表明催化剂中合适的活性金属Ni和MgO含量对提高DEK和MIPK的选择性具有重要的影响,Ni与催化剂表面碱量之间的协同作用可能是影响催化剂的活性和选择性的主要因素。     

锶、铈和镧共掺杂铈钛酸锶钡陶瓷的固溶性和介电性能的研究

采用冷压陶瓷技术,制备了(Ba1-x-0.02SrxLa0.02)(Ti1-yCey)O3(x=0.05,0.10,0.15;y=0.03,0.04,0.05)(BSLTC)陶瓷,通过X射线衍射(XRD)和介电温谱测试对BSLTC陶瓷的固溶性和介电性能进行调查。XRD结果表明,所有样品均为立方钙钛矿结构,La掺杂量为2%时,能够将(Sr,Ce)组合的固溶提高到(x=0.10,y=0.04)或(x=0.15,y=0.03)。介电结果表明,各样品的居里温度都在室温附近,介电峰明显宽化。其中,(x=0.05,y=0.03)组合的样品显示出最高的室温介电常数(ε’RT≈6000)和低介电损耗(tanδ<0.02),满足美国EIA"Y5V"高介电陶瓷材料指标。     

HEPT类化合物的QSAR研究

为定量结构／活性相关性研究提取了量子化学参数,拓扑指数Am,分子连接性指数^mxt及疏水性常数,同时应用正交变换和最佳变量子集算法（Leaps-and-Bonds)进行了变量压缩和选择,进而实施了多元回归分析,并由此结果进行了HEPT类化合物（1－[(2-hydroxyethoxy)methyl]-6-(phenylthio)-thymine derivatives)的结构／活性关系的理论解释,进行了人工神经网络法对于该类化合物的活性预测,其结构明显好于多元回归法。     

From the Micro- to the Macro-: Managing the Conservation of the Warship,Vasa

Sweden's famous warship, Vasa, sank on her maiden voyage in August 1628, and remained on the bottom of Stockholm harbour for 333 years. Raised in 1961, she became the first large-scale wooden object to be treated with polyethylene glycol (PEG). In the summer of 2000 a number of acidic salt precipitations were noticed on the surface of the ship and on wooden artefacts in the storerooms. An international research project has been established to look into the causes of this problem and suggest possible re-treatments. Meanwhile projects are underway to monitor movements in the ship, to build a better support system, and to replace the thousands of iron bolts holding the structure together, while a sophisticated new climate system has recently been installed in the museum.     

液滴荧光传感与计算机联用技术在微量分析中的应用

通过在LS55型荧光-磷光-发光分光光度计上加装液滴产生及调节附件,采用计算机采集与分析处理数据,成功地研制了双通道液滴光化学传感装置.利用葡聚糖凝胶对复合维生素B中不同组分的选择性吸附来达到分离与同时检测的目的,并将其用于复合维生素B药片的分析,取得了满意的结果.     

Using of the Agglomeration-in-liquid for the Technology of the Fine Materials

The content of the fine and ultrafine particles in the raw material results in difficulty of the separation, the loss of the valuable components and ecological contamination. Secondary using of the fine particles is impossible without their granulation. This problem has been solved by the agglomeration-in-liquid method.An agglomeration-in-liquid method is a process to produce agglomerates in a liquid phase from solid particles suspended in the liquid. The surface of solid particles and the binding liquid must be of identical polarity, but the continuous phase must be of the opposite polarity. The water solutions of the surfactant are the binding liquids or the organic liquids.     

On the scaling of the interface energy of the liquid clusters in the disordered nanoporous medium

Similarity of the extrusion curves of non-wetting liquid in a nanoporous medium with different initial fill volume fractions is observed experimentally. The similarity can be explained by the scaling of the interface energy and the self-similarity of the infinite percolation cluster of fluid-filled pores. Understanding the physical processes leading to the observed phenomena is a foundation for the development of high-performance devices for damping and energy storage on the basis of such heterogeneous systems.     

光亮剂对银电沉积行为的影响

用电势阶跃法和旋转圆盘电极法 (RDE)以及SEM和XRD测试手段 ,初步研究了光亮剂对氰化体系中银电沉积行为的影响 .研究表明 ,光亮剂的加入并未导致银电沉积成核机理的改变 ,但显著增强了镀液的微观平整效应 ,并且所得镀层的表观光滑程度明显改善 .XRD测试亦同时表明光亮剂的加入并未改变镀层的择优取向     

Copper-containing dendromesogens: the influence of the metal on the mesomorphism

The synthesis and liquid crystalline behaviour of the first and second generations of a dendrimeric structure based on poly(propyleneimine)(DAB-dendr(NH₂)_x) are reported. 4-(4-n-Alkoxybenzoyloxy)salicylaldehydes are used as mesogenic moieties attached at the peripheral amino groups of the dendrimers giving rise to dendromesogens with four and eight mesogenic branches. From these dendromesogens, considered as organic ligands, were prepared six metal-containing dendrimers which incorporate two or four copper atoms in their structures. All the dendrimeric ligands and three of the metal-containing dendrimers exhibit liquid crystalline properties which were studied by optical microscopy, DSC, X-ray diffraction and EPR spectroscopy.     

On the quality of the hardness kernel and the Fukui function to evaluate the global hardness

An approximated hardness kernel, which includes the second derivative with respect to the density of the kinetic energy, the electron-electron coulomb repulsion, and the exchange density functionals, has been tested for the calculation of the global hardness. The results obtained for a series of 40 cations and neutral systems and 16 anions represent in most cases an improvement of the results obtained using the HOMO-LUMO gap approach and indicate the viability of this approach to evaluate global hardness. In addition, the relevance of the Fukui function approximation and the role of the three components of the hardness kernel in the evaluation of the global hardness have been analyzed.     

Influence of the Position of the Connecting Spacer of the Chromophore on the Nonlinear Optical Response

A new chromophore, C1 , based on a similar DπA‐structure as in the FTC ‐chromophore but with a hydroxyalkyl spacer perpendicular to the direction of the dipole moment was synthesized. Both chromophores and the CLD ‐chromophore were used to prepare high T_g nonlinear optical vinyl polymers. The influence of the position of the spacer on the DπA‐system on the NLO response of the resulting polymers was investigated.