Markov chain model of mixed surfactant systems

A new model of mixed surfactant systems have been developed in the work presented. It includes two parameters only connected directly with the Gibbs free energy of the surfactant aggregation. They can be determined using both the aggregation equilibrium constant values or the phase composition data. It has been shown also the relation between these new parameters and the same of the regular solution approximation and the alternative models. The possibility to describe the available experimental information about the micelle composition as a function of the singly dispersed surfactant mixture composition better than by the other models has been shown also.     

Chain folding in single crystals of tetrafluoroethylene copolymers

Molecular-mechanics calculations are performed on model folds proposed in the literature for single crystals of polytetrafluoroethylene crystallized in the phase stable below 19°C, in order to evaluate how they are modified when a fluorine atom is substituted by a bulky group, as occurs in fluorinated copolymers of tetrafluoroethylene. Only intramolecular effects are taken into account (isolated-chain model). An exhaustive analysis has been carried out of tetrafluoroethylene-hexafluoropropylene copolymer. Moreover, the lower energy folds found for such a copolymer have been examined for copolymers with chlorotrifluoroethylene and perfluoroalkylvinylethers, as comonomers. Our calculations show that all the considered comonomers can be arranged in the model folds proposed for the homopolymer, according to the imposed geometric constraints.     

Living radical polymerization of vinyl chloride initiated with iodoform and catalyzed by nascent Cu0/tris(2‐aminoethyl)amine or polyethyleneimine in water at 25 °C proceeds by a new competing pathways mechanism

The first example of living radical polymerization of vinyl chloride carried out in water at 25 °C is reported. This polymerization was initiated by iodoform and catalyzed by nascent Cu⁰ produced by the disproportionation of Cu^I in the presence of strongly Cu^II binding ligands such as tris(2‐aminoethyl)amine or polyethyleneimine. The resulting poly(vinyl chloride) was free of structural defects, had controlled molecular weight and narrow molecular weight distribution, contained two ～CHClI active chain ends, and had a higher syndiotacticity (62%) than the one obtained by conventional free‐radical polymerization at the same temperature (56%). This novel polymerization proceeds, most probably, by a combination of competitive pathways that involves activation by single electron transfer mediated by nascent Cu⁰ and degenerative chain transfer. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 3283–3299, 2003     

空间群O_h~7O~4T~2母分系数的计算

在群链G G_1 G_2中,把两个子群的IR(不可约表示)基相乘,然后把乘积基耦合成IR基,耦合系数我们称之为母分系数。本文把陈金全创立的本征函数法用于计算空间群的群链O_h~7 O~4 T~2的母分系数,计算的结果显示母分系数是满足正交关系,同时也说明此方法是适用的。     

The reversible addition‐fragmentation chain transfer process and the strength and limitations of modeling: Comment on “the magnitude of the fragmentation rate coefficient”

There is appreciable uncertainty concerning the magnitude of the fragmentation rate coefficient of the intermediate radical in reversible addition‐fragmentation chain transfer (RAFT) polymerizations. A large proportion of the experimental and theoretical evidence suggests that it is a stable species with a lifetime longer than 0.0001 s. This is particularly the case when the intermediate macro‐RAFT radical is stabilized by a phenyl group attached to the radical center or has a poor leaving group. Although the occurrence to some extent of irreversible termination reactions cannot be excluded, we argue that such reactions are more likely to be a result of slow fragmentation of the intermediate macro‐RAFT radical. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 2828–2832, 2003     

双杂质一维原子链中的晶格振动

对于含有两个杂质的一维单原子链的振动方程求解,得到晶格振动频率的解.分析了振动频率和杂质质量以及两杂质间距离的关系.     

三角债的模糊矩阵表示和关系划转的数学模型

给出债务关系的模糊矩阵表示,用其幂运算判定间接债务关系存在性,最后给出债务关系划转的方法,可作为三角债分析和相关问题解决的技术工具.     

Self-assembly of Gold Nanoparticle Chains between Nanoelectrodes

Nanodevice applications of metal or semiconductor nanoparticles depend on the techniques to assemble them into ordered one-(1D) and two-dimensional (2D) arrange- ments1,2. In particular, 1D arrangements of nanoparticles are not only the basis for fabricat…     

A Tabu-Search Hyperheuristic for Timetabling and Rostering

Hyperheuristics can be defined to be heuristics which choose between heuristics in order to solve a given optimisation problem. The main motivation behind the development of such approaches is the goal of developing automated scheduling methods which are not restricted to one problem. In this paper we report the investigation of a hyperheuristic approach and evaluate it on various instances of two distinct timetabling and rostering problems. In the framework of our hyperheuristic approach, heuristics compete using rules based on the principles of reinforcement learning. A tabu list of heuristics is also maintained which prevents certain heuristics from being chosen at certain times during the search. We demonstrate that this tabu-search hyperheuristic is an easily re-usable method which can produce solutions of at least acceptable quality across a variety of problems and instances. In effect the proposed method is capable of producing solutions that are competitive with those obtained using state-of-the-art problem-specific techniques for the problems studied here, but is fundamentally more general than those techniques.     

反应挤出接枝共聚反应表观链增长常数的测量

以预辐照的LLDPE反应挤出接枝MAA作为研究对象，通过在双螺杆挤出机中的不同部位取样，用FFIR分析接枝物及均聚物的产量，并用ESR测试链增长自由基浓度，设计了测定接枝和均聚反应初始阶段的表观链增长常数的方法,结果表明，在本实验测试范围内表观接枝链增长常数不同于均聚链增长常数；所得的测量值符合理论预测值，证明测试方法适合高温熔融体系的研究。