An $L^{\infty}$ Second Order Cartesian Method for 3D Anisotropic Interface Problems

A second order accurate method in the infinity norm is proposed for general three dimensional anisotropic elliptic interface problems in which the solution and its derivatives, the coefficients, and source terms all can have finite jumps across one or several arbitrary smooth interfaces. The method is based on the 2D finite element-finite difference (FE-FD) method but with substantial differences in method derivation, implementation, and convergence analysis. One of challenges is to derive 3D interface relations since there is no invariance anymore under coordinate system transforms for the partial differential equations and the jump conditions. A finite element discretization whose coefficient matrix is a symmetric semi-positive definite is used away from the interface; and the maximum preserving finite difference discretization whose coefficient matrix part is an M-matrix is constructed at irregular elements where the interface cuts through. We aim to get a sharp interface method that can have second order accuracy in the point-wise norm. We show the convergence analysis by splitting errors into several parts. Nontrivial numerical examples are presented to confirm the convergence analysis.     

高亮度高效率蓝色聚合物发光二极管

蓝色聚合物发光二极管是人们关注的课题,前不久,我们报道[1]了利用ITO/PVCz/BBOT/Mg·Ag结构达到亮度1700cd/m2,量子效率0.2%的蓝色器件.在本文中我们报道以掺杂perylene(PRL)和triphenylamine(TPA)的poly(N-vinylcar-bazole)(PVCz)为空穴传输层,以PBD为空穴锁住层,Alq为电子注入层的器件,其亮度达6100cd/m2,量子效率达0.7500,流明效率0.451m/W的蓝色发光器件.就我们所知,这个亮度是蓝光中最高的亮度.     

用L-脯氨酸衍生物作为手性流动相添加剂拆分对映异构体

用自制的N-十二酰基-L-脯氨酸和N-十二酰基-L-脯氨酸-3，5-二甲基苯胺两种L-脯氨酸衍生物作手性流动相添加剂，在氨丙基硅烷化硅胶柱上，用正己烷／异丙醇作流动相，对多种手性化合物进行了高效液相色谱拆分。实验结果表明：用N-十二酰基-L-脯氨酸作添加剂拆分的12种手性化合物，有8种手性化合物能得到拆分，具有较好的手性选择性。虽然用N-十二酰基-L-脯氨酸-3，5-二甲基苯胺作添加剂，手性选择性也较好，但由于含有苯环，紫外吸收增强，基线波动严重。     

冠醚配合物的研究XV.若干席夫碱及仲胺型双冠醚和碱金属离子的配位反应

本文运用微量电导滴定及计算机拟合技术，研究了若干席夫碱及仲胺型双冠醚和碱金属离子的配位反应，测定了配合物的组成及稳定常数，并对实验结果进行了讨论。     

基地建设经验交流

南京大学化学化工学院于1991年被国家教委批准为首批国家基础科学研究和教学人才培养基地."基地方案的制定和实施"于1997年获国家教委优秀教学成果二等奖,并于1998年在国家自然科学基金委组织的中期评估中获得优秀基地的称号,1999年又以优异成绩顺利通过了教育部组织的基地挂牌验收.     

Photocatalytic degradation of trichloroethylene over BiOCl under UV irradiation

In this study, BiOCl samples were synthesized under different pH values and characterized by XRD, SEM, UV‐vis DRS, BET, photoelectrochemical measurement and PL. The photocatalytic performances of the as‐prepared samples were evaluated through the decomposition of trichloroethylene (TCE) under UV irradiation. The influences of several parameters such as solution pH and common inorganic anions on TCE removal were investigated. Results indicated that BiOCl‐0.6 exhibited better photocatalytic performance than BiOCl‐6.0 because of its higher migration ability of photo‐induced carrier. The photocatalytic degradation of TCE over BiOCl‐0.6 followed pseudo first‐order kinetics and appeared to be more efficient in acidic solution than in alkaline. TCE was almost completely dechlorinated in 120 minutes. The inhibiting effect of naturally occurring anions was in the order of HCO₃^‐ >SO₄^2‐ >NO₃^‐, while Cl^‐ exhibited a dual effect. Moreover, BiOCl‐0.6 exhibited superior reusability after three cycles of repetition tests.     

Ultrasound-assisted oxidative desulfurization of liquid fuels and its industrial application

Latest environmental regulations require a very deep desulfurization to meet the ultra-low sulfur diesel (ULSD, 15 ppm sulfur) specifications. Due to the disadvantages of hydrotreating technology on the slashing production conditions, costs and safety as well as environmental protection, the ultrasound-assisted oxidative desulfurization (UAOD) as an alternative technology has been developed. UAOD process selectively oxidizes sulfur in common thiophenes in diesel to sulfoxides and sulfones which can be removed via selective adsorption or extractant. SulphCo has successfully used a 5000 barrel/day mobile “Sonocracking” unit to duplicate on a commercial scale its proprietary process that applies ultrasonics at relatively low temperatures and pressures. The UAOD technology estimate capital costs less than half the cost of a new high-pressure hydrotreater. The physical and chemical mechanisms of UAOD process are illustrated, and the effective factors, such as ultrasonic frequency and power, oxidants, catalysts, phase-transfer agent, extractant and adsorbent, on reaction kinetics and product recovery are discussed in this review.     

Practical and Highly Selective C?H Functionalization of Structurally Diverse Ethers

A trityl ion mediated C H functionalization of ethers with a wide range of nucleophiles at ambient temperature has been developed. The reaction displays high chemoselectivity and good functional group tolerance. The protocol also exhibits excellent regio‐ and diastereoselectivities for the unsymmetric ethers, thus stereoselectively generating highly functionalized disubstituted 2,5‐trans tetrahydrofurans (THF), 2,6‐trans tetrahydropyrans (THP), 2,6‐trans dihydropyrans (DHP), and 1,3‐trans isochromans, and highlighting the capacity of the protocol in complex molecule synthesis.     

PPh3‐Catalyzed Ring‐Expansion Reactions of Sulfamate‐Derived Cyclic Imines with Acetylenedicarboxylates

The PPh₃‐catalyzed ring‐expansion reaction of sulfamate‐derived cyclic imines with acetylenedicarboxylates has been developed. The reaction works quite efficiently under very mild conditions to afford benzo[g][1,2,3]oxathiazocine‐4,5‐dicarboxylate 2,2‐dioxide derivatives in high yields.     

Urea‐Based Porous Organic Frameworks: Effective Supports for Catalysis in Neat Water

Two urea‐based porous organic frameworks, UOF‐1 and UOF‐2, were synthesized through a urea‐forming condensation of 1,3,5‐benzenetriisocyanate with 1,4‐diaminobenzene and benzidine, respectively. UOF‐1 and UOF‐2 possess good hydrophilic properties and high scavenging ability for palladium. Their palladium polymers, Pd^II/UOF‐1 and Pd^II/UOF‐2, exhibit high catalytic activity and selectivity for Suzuki–Miyaura cross‐coupling reactions and selective reduction of nitroarenes in water. The catalytic reactions can be efficiently performed at room temperature. Palladium nanoparticles with narrow size distribution were formed after the catalytic reaction and were well dispersed in UOF‐1 and UOF‐2. XPS analysis confirmed the coordination of the urea oxygen atom with palladium. SEM and TEM images showed that the original network morphology of UOF‐1 and UOF‐2 was maintained after palladium loading and catalytic reactions.