Studies on the Adsorption of Asymmetrical Triblock Copolymers by Scheutjens-Fleer Theory and Monte Carlo Simulation

The adsorption of asymmetrical triblock copolymers from a non-selective solvent on solid surface has been studied by using Scheutjens-Fleer mean-field theory and Monte Carlo simulation method on lattice model. The main aim of this paper is to provide detailed computer simulation data, taking A8-kB20Ak as a key example, to study the influence of the structure of copolymer on adsorption behavior and make a comparison between MC and SF results. The simulated results show that the size distribution of various configurations and density-profile are dependent on molecular structure and adsorption energy. The molecular structure will lead to diversity of adsorption behavior. This discrepancy between different structures would be enlarged for the surface coverage and adsorption amount with increasing of the adsorption energy. The surface coverage and the adsorption amount as well as the bound fraction will become larger as symmetry of the molecular structure becomes gradually worse. The adsorption layer becomes thicker with increasing of symmetry of the molecule when adsorption energy is smaller but it becomes thinner when adsorption energy is higher. It is shown that SF theory can reproduce the adsorption behavior of asymmetrical triblock copolymers. However, systematic discrepancy between the theory and simulation still exists.The approximations inherited in the mean-filed theory such as random mixing and the allowance of direct back folding may be responsible for those deviations.     

The Isoelectric Point and the Points of Zero Charge of Fe-Al-Mg Hydrotalcite-like Compounds

The relation of the isoelectric point (IEP) and the point of zero net charge (PZNC) of the hydrotalcite-like compounds was discussed. It was found that the IEP does not equal to the PZNC and the IEP is higher than the PZNC. The structural positive charges existing in the HTlc,which cause the difference between the IEP and the PZNC. The effects of the structural positive charges of the HTlc on its IEP and PZNC are the same as the specific adsorption of metal cations.     

Nickel Chloride Promoted Glaser Coupling Reaction in Hot Water

A Glaser coupling reaction of terminal alkynes in the presence of nickel chloride withoutany organics and bases in hot water has been developed, which produces the correspondinghomo-coupling products in good yields.     

An Unusual Reductive Ring-opening Reaction of Phthalimide with Sodium Hydride in DMF

An unusual reductive ring-opening reaction of phthalimide with sodium hydride in anhydrous DMF was observed for the first time. The presumed mechanism was described in detail.     

晶体微观结构的数值计算

晶体微观结构是晶体材料在特定物理条件下其多个能量极小平衔态在空间形成的某种微尺度的规则分布．几何非线性的连续介质力学理论可以用能量极小化原理来解释晶体微观结构的形成，并用Young测度来刻画平衡态各变体在空间的概率分布．定性的理解与定量地分析和计算晶体材料的微观结构对于发展和改进高级晶体功能材料，如形状记忆合金、铁电体、磁至伸缩材料等，有重要的意义．本文回顾了近年来晶体微观结构数值计算方面的最新进展．介绍了计算晶体微观结构的几种数值方法及有关的数值分析结果。     

三维具弱阻尼Schrdinger-Boussinesq方程组的周期解(英文)

§ 1.　Introduction　　InthelaserandplasmaphysicsundertheinteractionofanonlinearcomplexSchr dingerfieldandarealBoussinesqfield ,thedynamicsisdescribedbythefollowingequationsiεt +Δε=nε ,( 1 .1 )ntt -Δn+γΔ2 n-Δf(n) -Δ｜ε｜2 =0 ,( 1 .2 )whereεrepresentsthecomplexSchr dingerfieldandnrepresentstherealBoussinesqfield .Theseequationshavemanyinterestingproperties,suchasafour parameterfamilyofsolitonso lutionsandLangmuircollapse(see [1— 4]) .Thustheydrawmuchattentionofmanyphysicistandmath…     

非线性时滞差分方程的振动性

考虑非线性时滞差分方程x_{n+1}-x_n+p_nf(x_{n-l_1},x_{n-l_2}x_{n-l_m})=0, n=0,1,2, 获得了方程所有解振动的充分条件, 推广并改进了现有文献中的结果.     

非负矩阵与有向图的谱半径

本文给出非负矩阵的谱半径的上界、下界,由此给出有向图的谱半径的界.     

Local Prediction of Chaotic Time Series Based on Support Vector Machine

Based on phase space delay-coordinate reconstruction of a chaotic dynamics system, we propose a local prediction of chaotic time series using a support vector machine （SVM） to overcome the shortcomings of traditional local prediction methods. The simulation results show that the performance of this proposed predictor for making onestep and multi-step prediction is superior to that of the traditional local linear prediction method and global SVM method. In addition, it is significant that its prediction performance is insensitive to the selection of embedding dimension and the number of nearest neighbours, so the satisfying results can be achieved even if we do not know the optimal embedding dimension and how to select the number of nearest neighbours.     

核介质中五夸克奇特重子态Θ+的有效质量

利用非线性s-w-r模型，在相对论平均场近似下，通过能量密度函数，给出了五夸克奇特重子态Q+有效质量随核密度的增加逐渐下降的依赖关系，并进行了数值计算.分析了不同参数对核物质中Q+有效质量的影响，并考虑了耦合系数中GQ/B的3个不同值，计算了不同耦合系数对Q+有效质量的影响.