Large scale petroleum reservoir simulation and parallel preconditioning algorithms research

Solving large scale linear systems efficiently plays an important role in a petroleum reservoir simulator, and the key part is how to choose an effective parallel preconditioner. Properly choosing a good preconditioner has been beyond the pure algebraic field. An integrated preconditioner should include such components as physical background, characteristics of PDE mathematical model, nonlinear solving method, linear     

D. Liu and X. Zhu,Erratum to: “Fractional chromatic number and circular chromatic number for distance graphs with large clique size”. Journal of Graph Theory47(2) 2004, 129–146

The original article to which this Erratum refers was published in Journal of Graph Theory 47:129–146,2004 .     

Direct Observation of Non-covalent Complexes for Phosphorylated Flavonoid-protein Interaction by ESI

Diethyl flavon-7-yl phosphate was synthesized by modified Atheron-Todd reaction. The result of ESI shows that the phosphated flavonoids possess stronger binding affinities toward proteins such as myoglobin, insulin and lysozyme and are easier to form the non-covalent complexes with them.     

防紫外线伞ATR-OMNI采样器的FTIR分析

本实验使用OMNI采样器，直接对伞面内外进行单反射ATR的分析，快速、简便、不破坏样品，得到分辨率很好的红外图谱，再配合红外谱库的谱图检索，可以分别得到匹配率95％以上的尼龙－6和聚酯型聚氨酯的分析结果。     

Conformational characteristics of polycaproamide in dimethylacetamide containing lithium chloride

The viscosity behavior, index of refraction, and density of dilute polycaproamide solutions in DMAc containing lithium chloride have been studied. On the basis of temperature dependences of the index of refraction and the density of solutions, the θ-condition of polycaproamide solutions in DMAc containing 2.5% lithium chloride is estimated as 21.3°C. From intrinsic viscosity [η] measurements, the coefficients of swelling of a polymer coil, the mean-square distance between chain ends, and other parameters of macromolecules in solution are calculated.     

Photoluminescence characteristics of ZnTiO3: Bi nanocrystals

The photoluminescence properties of the Bi³⁺ in sol-gel derived ZnTiO₃ nanocrystals have been investigated. An ultra-violet emission at 360 nm and a visible emission band at 506 nm have been observed, originating from two kinds of emission centers. The former is ascribed to the ³P₁-¹S₀ transition of Bi³⁺ and the latter to the recombination of the electrons with the photo-generated holes trapped in the zinc vacancies. In all cases the latter contribution is predominant.     

An Improved Synthesis of Retinoic Acid from β-Ionone

A convenient and large-scale preparation of retinoic acid 1 from β-ionone in five steps with 38% overall yield is described.The key steps are the epoxidization of 2 with a new methylated agent and the condensation 4 with tetraethyl methylenediphophonate in one-pot procedure to prepare 6.     

正常金属/超导/正常金属双垒隧道结中的量子相干输运

考虑到量子相干效应和界面散射效应 ,利用 L ambert理论模型 ,计算正常金属 /绝缘层 /超导 /绝缘层 /正常金属双垒隧道结中的准粒子输运系数和隧道谱。研究表明 :( 1)所有的准粒子输运系数和电导谱在超导能隙之上都随能量作周期性振荡 ,其振荡周期依赖于超导层的厚度 ;( 2 )在超导能隙之上 Andreev反射系数随能量呈现周期性消失现象 ;( 3)在绝缘层势垒强度取很大的隧道极限下 ,超导层中会形成一系列的准粒子束缚态 ,其位置由量子化条件决定 ;( 4)界面散射效应不仅能压低各子能隙电导峰 ,还能使子能隙电导峰劈裂为两个峰。     

小分子硫原子团簇正离子的结构稳定性

用分子图形软件设计出 4 9种硫原子团簇Sn+ (n =3～ 13)的结构 ,使用B3LYP密度泛函进行几何构型优化和振动频率计算 ,根据分子的总能量得出最稳定的同分异构体 .在硫原子团簇正离子中 ,大部分原子为二配位成键 .带有一、三配位的原子结构的总能量较高 .部分最稳定硫原子团簇正离子的构型与最稳定的中性硫原子团簇的构型完全不同 .