Third order nonoscillatory central scheme for hyperbolic conservation laws

Summary. A third-order accurate Godunov-type scheme for the approximate solution of hyperbolic systems of conservation laws is presented. Its two main ingredients include: 1. A non-oscillatory piecewise-quadratic reconstruction of pointvalues from their given cell averages; and 2. A central differencing based on staggered evolution of the reconstructed cell averages. This results in a third-order central scheme, an extension along the lines of the second-order central scheme of Nessyahu and Tadmor \cite{NT}. The scalar scheme is non-oscillatory (and hence – convergent), in the sense that it does not increase the number of initial extrema (– as does the exact entropy solution operator). Extension to systems is carried out by componentwise application of the scalar framework. In particular, we have the advantage that, unlike upwind schemes, no (approximate) Riemann solvers, field-by-field characteristic decompositions, etc., are required. Numerical experiments confirm the high-resolution content of the proposed scheme. Thus, a considerable amount of simplicity and robustness is gained while retaining the expected third-order resolution. Received April 10, 1996 / Revised version received January 20, 1997     

Amine- and phosphine-free palladium(II)-catalyzed homocoupling reaction of terminal alkynes

An efficient, amine- and phosphine-free palladium(II)-catalyzed homocoupling of terminal alkynes has been developed. In the presence of PdCl₂, CuI, Me₃NO, and NaOAc, homocoupling of various terminal alkynes underwent smoothly to afford the corresponding diynes in moderate to high yields without any phosphine ligands. In contrast, the presence of a phosphine ligand (PPh₃) disfavored this palladium-catalyzed homocoupling procedure. Bases, solvents, and CuI have fundamental influence on the palladium-catalyzed homocoupling of terminal alkynes.     

Ce(III)在辣根体中的迁移

应用放射性同位素示踪法, 即结合放射自显影和液体闪烁器检测及电镜放射自显影技术, 首次定性、定量地研究Ce(III)离子在辣根植物中的迁移. 结果表明: (1) Ce(III)离子能被辣根植物吸收并随时间发生迁移; (2)电镜放射自显影结果显示, Ce(III)离子迁移是通过质外体至共质体进入细胞的. Ce(III)离子在辣根植物体中的行为, 为稀土离子植物环境效应机理及辣根植物安全防护提供借鉴.     

The structure of adducts of benzaldoxime and m-chlorobenzaldoxime dehydrodimers with styrene

The reaction of m-chlorobenzaldoxime dehydrodimer with styrene gives two 1:1 adducts.The main product 7 is a bisnitrone. The minor product 8 has been shown by X-ray diffraction anal-ysis to possess the structure: ArCH(N=O)CH_2CH (Ph)O--N=CHAr. The two C=N bonds areall in Z configuration. The structure of the adducts from benzaldoxime dehydrodimer and styrene isalso assigned.     

新型含氟液晶类化合物的质谱研究

本文报道66个新型含氟液晶类化合物的电子轰击电离质谱(EIMS). 66个化合物分为三个类型, 即炔醚类, 炔酯类和炔类. 并利用MS/MS联用技术和高分辨质谱(HRMS)数据研究了三种不同类型化合物的裂解机理, 并总结其规律性, 结果将有助于未知的类似化合物的结构鉴定 .     

V掺杂ZnO透明导电薄膜研究

本文分别采用磁控溅射技术与基于密度泛函理论的平面波赝势方法两种方式, 对高价态差元素V掺杂ZnO薄膜进行研究. 实验研究结果表明: V的掺入并未改变ZnO的生长方式, 所制备的薄膜都呈(002)择优生长; 随着衬底温度增加, VZO薄膜的结晶质量逐步改善, 当衬底温度超过280 ℃时薄膜的结晶质量恶化; 在280 ℃时获得的VZO薄膜电阻率最低3.8×10^-3 Ω·m, 500-2000 nm平均透过率高于85%. 理论模拟结果表明: V以替位形式掺入ZnO六角纤锌矿晶格结构中, 费米能级进入导带, 材料表现出n 型半导体的特性, 导电电子主要由V 3d及O 2p电子轨道提供. 理论计算结果与实验结果的一致性, 表明VZO薄膜具有作为高效Si基薄膜太阳电池透明导电薄膜的应用潜力.     

Preparation and evaluation of PANI/PTT electromagnetic shielding fabric by in-situ chemical polymerization

To prepare the flexible and stretchable electromagnetic shielding (EMS) fabric with environmental stability, this paper uses polytrimethylene terephthalate (PTT) fabric as substrate, the aniline monomer as raw material, hydrochloric acid (HCl) as the doping agent, ammonium persulfate (APS) as the oxidant to produce polyaniline (PANI)/PTT electromagnetic shielding fabric by in-situ chemical polymerization. It studies the influence of APS and HCl concentration on the surface electrical resistance and the absorption loss of electromagnetic shielding fabric. It can be observed that an increasing APS and HCl facilitate the absorption and spread of PANI into PTT fabric to form a conductive network, and improve the absorption loss efficiency, while the excess APS and HCl will hinder the PANI polymerization. The high electrical conductivity and absorption loss of the PANI/PTT fabric are obtained at the concentration of An 0.4 M, APS 0.4 M, HCl 1.25 M, and polymerization reaction time 120 min. Meanwhile, in-situ polymerization of PANI does not introduce new impurities and destroy the molecular structure of PTT.     

Two cobalt(II) 5-aminoisophthalate complexes and their stable supramolecular microporous frameworks

Two stable supramolecular microporous cobalt(II) polymers, namely [Co(HAIP)2]n.3nH2O (1) and [Co(AIP)(H2O)]n (2), AIP = 5-aminoisophthalate, were hydrothermally synthesized and characterized by single-crystal X-ray diffraction, IR spectra, thermogravimetric analyses, and variable-temperature magnetic susceptibility measurements. The two complexes are constructed from the same Co2(CO2)2 SBU, which is extended into a 1D chain in 1 and a 2D layer in 2. As a result, 1 and 2 are 2D and 3D coordination polymers, respectively. The 3D supramolecular network of complex 1 is held up by strong hydrogen bonds formed between carboxylate groups and shows very high stability when the free H2O molecules are removed, indicating an extraordinarily stable H-bonding system. Upon water ligands being liberated, complex 2 becomes a stable microporous solid with coordination-unsaturated Co centers. The behavior of the susceptibility curve of 1 suggests the occurrence of an interesting intrachain antiferromagnetic coupling between the Co(II) ions and the presence of a significant orbital contribution, whereas the features of 2 indicate an antiferromagnetic coupling with T(N) = 3.5 K and a long-range antiferromagnetic order with a field-induced magnetic transition.     

1,3-二硫杂环戊烯-2-硫酮-4,5-二巯基类复合物在不同波长下的三阶非线性光学性质

合成了两种新的金属双噻吩类复合物:(苄基三乙基铵)双(1,3-二硫杂环戊烯-2-硫酮-4,5-二巯基)-金(BTEAADT)和(苄基三乙基铵)双(1,3-二硫杂环戊烯-2-硫酮-4,5-二巯基)-镍(BTEANDT).采用Z扫描方法,在皮秒脉冲下,分别测试了两种材料的乙腈溶液在532和1064nm的三阶非线性光学特性.Z扫描的结果表明,BTEAADT的乙腈溶液在532nm具有反饱和吸收效应,在1064nm非线性吸收效应可以忽略且在两种波长都有自散焦效应,三阶非线性折射率为负值.BTEANDT的乙腈溶液在532nm非线性吸收效应可以忽略,在1064nm具有饱和吸收效应且在两种波长都有自聚焦效应,三阶非线性折射率为正值.分析了造成这种差异的原因.经过计算得到了两种材料在532和1064nm的三阶非线性折射率,三阶非线性吸收系数,三阶非线性极化率和超极化率.BETAADT的非线性折射率在532nm为-1.685×10-18m2·W-1,在1064nm为-1.459×10-18m2·W-1;BTEANDT的非线性折射率在532nm为1.452×10-18m2·W-1,在1064nm为7.311×10-18m2·W-1.两种材料的三阶非线性吸收系数,三阶非线性极化率和超极化率的数量级分别是10-11m·W-1,10-13esu和10-31esu.结果表明这两种材料在非线性光学领域有潜在的应用价值.     

菱镁矿风化石与叶腊石合成堇青石的结构表征

采用菱镁矿风化石、叶腊石、二氧化硅微粉为主要原料,研究分析烧成温度对合成堇青石结晶度、晶粒尺寸、晶相组成和显微结构来确定适宜的合成温度。用X′ Pert plus软件对X射线衍射图进行拟合,分析试样的结晶度,用半定量(semi-quantification)法对试样结晶相中晶相组成进行计算,用Scherrer公式计算试样中堇青石、方石英晶粒的粒径大小。结果表明：采用菱镁矿风化石与叶腊石为原料合成堇青石,当温度由1 350 ℃增加到1 400 ℃,试样的结晶度增加,堇青石晶粒尺寸和堇青石相量增加,在1 400 ℃时,试样结晶度最高,晶粒尺寸最大。晶相组成中堇青石相占67%,方石英相占33%。当温度大于1 400 ℃,试样结晶度降低,堇青石和方石英晶粒尺寸减小,当温度在1 500 ℃时,堇青石相消失,促进了方石英相析出。采用菱镁矿风化石与叶腊石为原料合成堇青石的最佳烧成温度为1 400 ℃。