1,1-二氟乙烷和1,2-二氟乙烷分子内原子间非键相互作用

用从头算势诱导极小二乘拟合(PD/LSF)和(exp-6-1)函数研究了1,1-二氟乙烷和1,2-二氟乙烷分子内非键原子间的相互作用。计算结果表明, 同分异构体的能量稳定性差, 在于分子内非键原子间的相互作用。该模式提供了一种简单、实用的研究分子内非键相互作用的方法。     

KCl-LiCl-H2O体系热力学性质的研究

用K-ISE、Li-ISE和Cl-ISE测定了25 ℃时体系中KCl、LiCl的平均活度系数, 溶液的离子强度从0.1～4.0 mol·kg~(-1), 组成范围从纯的KCl到纯的LiCl。将Pitzer方程应用于测定结果, 用多元线性回归方法求出了Pitzer参数。     

MoO3/TiO2-Al2O3催化剂表面结构的LRS研究

负载型Mo和Co-Mo催化剂由于工业上的广泛应用,多年来一直是催化工作者的重要研究课题.工业上应用的Mo和Co-Mo催化剂多以活性Al_2O_3和SiO_2-Al_2O_3为载体,近年来也有用TiO_2,ZrO_2和活性碳作为催化剂载体的研究报导.有关催化剂活性组分与载体之间相互作用对催化剂表面相结构和催化性能的影响方面研究已引起人们的重视。我们多年来在金属-载体相互作用研究基础上,以石油加氢精制催化剂为应用背景,开     

CeO2及Pt/CeO2催化剂上H2、O2的作用特性

采用TPD、TPR、FT-IR和TPEC等方法研究了CeO_2及Pt/CeO_2上H_2、O_2作用特性。结果表明, Pt促进CeO_2还原, 并形成高活动性氢物种。Pt的存在使吸H_2和放氢温度下阵达300 ℃。部分还原的CeO_2常温下吸附氧形成分子离子氧物种(O_2~-, O_2~(2-)), Pt的存在改变氧化铈催化剂在常温下氧吸附物种的形态, 以解离态存在。氧化铈上吸附的氧物种在升温时可部分脱附, 高于170 ℃时则转化为晶格氧。     

极性非质子溶剂与甲醇或1,2-二氯乙烷的汽液平衡

使用双沸点仪测定了丙酮、乙酸乙酯、对二氧六环、乙腈或三乙胺与甲醇或1,2→二氯乙烷以及二者混合物等十一组二元体系在99.3 kPa下的汽液平衡数据(T,x,p), 计算了有关体系的过量吉布斯自由能。结果表明, 六种非质子溶剂与甲醇组成的二元系GE>0; 乙腈或三乙胺与1,2-二氯乙烷组成的二元系GE>0, 而丙酮、乙酸乙酯或对二氧六环与1,2-二氯乙烷的二元混合物GE<0。从同种分子间或不同种分子间的缔合作用对上述结果进行了讨论。本文还在固定极性非质子溶剂(第三组分)物质的量浓度的条件下, 测定了非质子溶剂+1,2-二氯乙烷+甲醇三元混合物的汽液平衡数据, 考察了非质子溶剂的加入对甲醇+1,2-二氯乙烷二元系GE的影响。     

On the Boussinesq/Full dispersion systems and Boussinesq/Boussinesq systems for internal waves

In this paper, we consider some asymptotic models for internal waves in the small amplitude/small amplitude regime, which were derived recently by Bona, Lannes and Saut. We first prove that the Boussinesq/Full dispersion systems and the Boussinesq/Boussinesq systems can be derived from the Full dispersion/Full dispersion systems. Then using a contraction-mapping argument and the energy method, we will prove that the derived systems that are linearly well-posed are in fact locally nonlinearly well-posed in suitable Sobolev classes. In particular, we improve and extend some known results on the well-posedness of Boussinesq systems for surface waves.     

SUBNORMAL SOLUTIONS OF DIFFERENTIAL EQUATIONS WITH PERIODIC COEFFICIENTS

In this article, we apply the concept of hyper-order to higher order linear differential equations with periodic coefficients, investigate the existence and the form of its subnormal solution, and estimate the growth of all other solutions, and answer the question raised by Gundersen and Steinbart for more general periodic differential equations.     

AVERAGE ONESIDED WIDTHS OF SOBOLEV AND BESOV CLASSES

The article concerns the average onesided widths of the Sobolev and Besov classes and the classes of functions with bounded moduli of smoothness. The weak asymptotic results are obtained for the corresponding quantities.     

Eigenvalue approximation from below using non-conforming finite elements

This is a survey article about using non-conforming finite elements in solving eigenvalue problems of elliptic operators,with emphasis on obtaining lower bounds. In addition,this article also contains some new materials for eigenvalue approximations of the Laplace operator,which include:1) the proof of the fact that the non-conforming Crouzeix-Raviart element approximates eigenvalues associated with smooth eigenfunctions from below;2) the proof of the fact that the non-conforming EQ rot1 element approximates eigenvalues from below on polygonal domains that can be decomposed into rectangular elements;3) the explanation of the phenomena that numerical eigenvalues λ 1,h and λ 3,h of the non-conforming Q rot1 element approximate the true eigenvalues from below for the L-shaped domain. Finally,we list several unsolved problems.     

On surfaces immersed in Euclidean space R~4 Dedicated to Professor Yang Lo on the Occasion of his 70th Birthday

Let M be a closed oriented surface immersed in R4 . Associated it one has the generalized Gauss map from M into the Grassmann manifold G 4,2 . This note will be concerned with the geometry of the generalized Gauss map by using the moving frame theory and the quaternion interpretation of Plcker coordinates. As one of consequences,we get the celebrated theorem of Chern and Spanier,Hoffman and Osserman,who proved it by quite different methods. At last,we give an explicit construction of a series of immersions of S2 in R4 with any given normal Euler number.