QEPAS系统中石英音叉模态仿真计算与研究

对石英音叉增强型光声光谱(QEPAS)系统中常用的石英音叉进行了有限元模态计算，获得石英音叉前6阶振型与模态频率，认知了第4阶对称摆动振型为有效振动，利用单因素法分析了石英音叉的音臂长度l₁、音臂宽度w₁、音臂厚度t、音臂切角θ、音臂圆孔直径d及音臂圆孔高度h对低阶有效共振频率(Fre)的影响，敏感度依次为： l₁> w₁>d>θ>t>h，考虑实际设计情形，筛选出了l₁，w₁，d与h四个石英音叉设计变量，采用Box-Behnken实验设计方案与RSM(response surface methodology)方法，以Fre为函数目标，建立l₁，w₁，d与h的二次回归响应面模型，得到了参数之间的交互作用，利用Design-Expert软件对响应面模型进行设计参数反求，结果表明，在15 000 Hz≤Fre≤25 000 Hz计算区域内误差较小，基本满足QEPAS系统的计算需求，所提出的研究与设计方法具有一定通用性，可为QEPAS系统中石英音叉结构参数设计提供参考。     

障碍拟阵图

Let G be a simple graph and T={S :S is extreme in G}. If M(V(G), T) is a matroid, then G is called an extreme matroid graph. In this paper, we study the properties of extreme matroid graph.     

Lower-dimensional linear complementarity problem approaches to the solution of a bi-obstacle problem

A globally convergent Broyden-like method for solving a bi-obstacle problem is proposed based on its equivalent lower-dimensional linear complementarity problem. A suitable line search technique is introduced here. The global and superlinear convergence of the method is verified under appropriate assumptions.     

�۱��ƫ��������ˮ��������ǿ�����������о�

By using Fluent software with the Eulerian multiphase model and Non-equilibrium boiling model, the subcooled flow boiling heat transfers was numerically simulated in the plain upward vertical tubes under the condition of one-side heating. The influences of the different mass flux, inlet temperatures and heat flux on the heat transfer coefficient, the void fraction and heat transfer deterioration were investigated.     

Pr0.6-xNdxSr0.4FeO3-δ电极材料的光谱及性能研究

以柠檬酸-硝酸盐自蔓延燃烧法合成了ABO₃型钙钛矿结构的Pr_0.6-xNd_xSr_0.4FeO_3-δ(x=0.0～0.6)系列稀土复合氧化物粉体。利用傅立叶变换红外光谱(FTIR)和激光共焦拉曼光谱(LRS)对产物的晶体结构进行了表征。分别采用热膨胀仪测定烧结陶瓷体的热膨胀系数(TEC)；TG-DTA记录材料的热稳定性；XRD研究阴极材料与中温电解质Sm_0.2Ce_0.8O_1.9(SDC)及La_0.8Sr_0.2Ga_0.8Mg_0.2O_3-δ(LSGM)的化学相容性；SEM观察阴极/电解质复合材料的断口形貌。结果表明，该系列样品在高、低温热循环过程中化学稳定、晶型稳定；在室温至1 100 ℃范围内的平均热膨胀系数为1.16 × 10^-5 K^-1，与SDC及LSGM的热膨胀系数十分接近。阴极/电解质混合粉体1 200 ℃煅烧10 h，XRD未检测到新物质；SEM显示复合层断面界面清晰，没有相互扩散现象。该体系有望成为以SDC或LSGM为电解质的中温固体氧化物燃料电池合适的阴极材料。     

邻-甲氧基苯酚和α-,β-环糊精包合现象的理论与实验研究

通过紫外可见光谱法考察了水溶液中邻-甲氧基苯酚(o-Mop)和α-与β-环糊精(CD)的分子间相互作用, 利用Hildebrand-Benesi方程给出了两个包合物的稳定常数(K_s). 采用半经验PM3方法研究了α-,β-CD和o-Mop及其类似物苯酚(Phe)、丁香酚(Eug)之间的包络作用, 阐述了这些主客体包合作用过程中体系能量随主客体相对位置改变而变化的细节, 据此推断出主-客体包合物可能的分子结构, 计算了包合物的稳定化能(ΔE_s). 研究结果表明, 本文所选主客体体系而言, 当客体和同一种主体分子作用时, 超分子包合物的ΔE_s随着客体分子苯环上取代基团数目的增多而增加. 基于PM3方法优化得到的主-客体包合物在真空中的分子结构和通过实验方法在水溶液中测定的结构一致.     

Novel nitrogen ligands based on imidazole derivatives and their application in asymmetric catalysis

Recently prepared chiral amines have been used in the preparation of novel tridentate ligands based on an imidazole ring with an additional (hetero)ring. The synthesis was carried out by the reaction of chiral amines with suitable aldehydes (2-phenylimidazole-4-carbaldehyde, 2-hydroxybenzaldehyde or pyridine-2-carbaldehyde) under reductive conditions (H₂/Pd or NaBH₄). All ligands prepared showed strong hydrogen bonds in d₆-DMSO solution, which resulted in hindered imidazole tautomerism. The observed hindered tautomerism was studied by ¹H NMR spectroscopy. The structures of the prepared ligands were also confirmed by APCI mass spectroscopy. Both chiral amines and tridentate compounds have been applied as ligands in copper (II)-catalyzed nitroaldol reactions (Henry reaction). Various reaction conditions for the Henry reaction have been studied (influence of temperature, molar ratio, solvent or copper (II) precursors). The compounds prepared with the two imidazole rings showed fast reaction times and a reversal in enantioselectivity compared to other chiral amines.     

Preparation of selective micro glucose sensor without permselective membrane by electrochemical deposition of ruthenium and glucose oxidase

A carbon fiber microelectrode, surface of which ruthenium and glucose oxidase (GOx) were electrochemically codeposited, has been investigated. The Ru deposition onto the microelectrode increased current response to H₂O₂ oxidation, while decreased oxidation currents due to interfering substances, such as ascorbic acid, uric acid, p-acetamidophenol, l-cysteine and dopamine. The codeposition of Ru and GOx gave further suppression of the interfering signals with keeping the current response to H₂O₂. When amperometric glucose sensing was conducted by using the GOx and Ru modified microelectrode, an increase in GOx concentration in the deposition bath enlarged oxidation current of H₂O₂ generated from glucose oxidation by GOx. The presence of ascorbic acid in analyte gave no error in detection of glucose and errors caused by uric acid was +3% at the most for measuring 5 mM glucose, which is the normal physiological level in blood.     

Transient photopotentials at the cobalt-doped zinc oxide/electrolyte interface

The time evolution of the pulsed-laser-induced photopotentials of pure and cobalt-sensitized ZnO electrodes is analyzed after 365 and 640 nm excitations. This analysis, as a function of various parameters, enables a determination of the influence of Co²⁺ ions and excitation wavelength on the kinetics of electron-hole recombination and electron transfer at the interface to be made.     

Auger and electron energy loss spectroscopic study of surfaces of iron-sulfur alloy,Fe7S8 and FeS2 cleaved in ultra high vacuum

The surfaces of an iron-210 at. ppm sulfur alloy, Fe₇S₈ and FeS₂ cleaved in an ultra high vacuum were studied by Auger (AES) and electron energy loss Spectroscopy (EELS). The S LVV Auger transition for the intergranular fracture plane of the alloy indicates that the sulfur is bonded to the surface as though it were adsorbed. The loss energies of the transition from valence to conduction bands for the surface are identical to those for the transgranular fracture planes. The trans- and intergranular fracture planes have very similar fine structure in the Fe MVV Auger transition profile. This indicates that the interaction between iron and sulfur is too weak to perturb the electronic structure at the fracture surface. The spectral features of the electron transitions having kinetic energies between approximately 40 and 50 eV are explained by a normal Fe MVV Auger transition and an autoionization process after excitation of Fe 3p electrons. The low spin ferrous ion in FeS₂ results in triplet peaks for the Fe MVV transition and doublet peaks for the autoionization event, but similar transitions for Fe₇S₈ exhibit singlet peak for each process.