A new Monte Carlo simulation for two models of self-avoiding lattice trees in two dimensions

By means of a new Monte Carlo sampling of a grand canonical ensemble, we verify universality for the critical exponents and of two models of lattice trees constrained to be self-avoiding on sites or on bonds. The attrition constants are also obtained. This algorithm, a generalization of that recently proposed by Berretti and Sokal for random walks, appears to optimize the critical slowing down in the scaling region. Systematic and statistical errors are carefully estimated.     

Effect of varying lanthanide local coordination sphere on luminescence properties illustrated by selected inorganic and organic rare earth complexes synthesized in sol-gel host glasses

Inorganic and organic ligands were carefully selected to illustrate the effect of modifications in the local field environment around the rare earth lanthanide (III) on its emission properties. In this article two strategies were employed to enhance emission of lanthanides encapsulated in sol-gel glass. (i) Changing the symmetry around the lanthanide, which was diagnosed by changing the local environment around the lanthanide using different inorganic counter ions (acetate, nitrate and chloride) these ligands differ in their affinity toward the lanthanide first coordination sphere. The ligand that penetrates the lanthanide more results in more asymmetric environment and thus results in higher emission. The aim of this part was to demonstrate the change of symmetry on emission in the absence of energy transfer. Our results indicate that the acetate ion has the highest affinity toward the first coordination sphere followed by the nitrate while the chloride showed the lowest affinity. Penetration by the ligands ofthe lanthanide also results in removing OH quenchers surrounding the lanthanide and this further explains the boost in emission. (ii) A bulky organic ligand that forms a complex with the lanthanide is used. The organic ligand separates the lanthanide ion from inner O-H oscillators. In this case the chelating organic chromophore with suitable photophysical properties was employed to sensitize the lanthanide and thus energy transfer occurs via the antenna effect. The organic ligand absorbs UV light, then energy is transferred to the lanthanide and finally the lanthanide emits in the visible region. The first coordination environment surrounding europium was controlled by the ligand selection and the outer sphere was modified by doping the synthesized complexes in an optically transparent sol-gel glass host. The glass network carefully prepared by sol-gel process is effective in preventing free oxygen and water from attacking lanthanide -complexes without loss of luminescence. Emission spectroscopy measurements of the doped silica specimens confirmed the variation of Eu (III) emission depending on the first coordination sphere surrounding the europium ion. The encapsulation of the europium complexes was performed for two reasons: (i) to improve the stability of red phosphor with efficient and high color-purity characteristics under ultraviolet excitation and (ii) this work provides a framework for preparing transparent composite glasses that are robust hosts to study the fundamental interactions between nano-materials and light.     

莱克多巴胺分子印迹聚合物的制备及其性能分析

采用热聚合法制备了莱克多巴胺(ractopamine,RCT)的分子印迹聚合物(molecular imprinted polymers,MIPs)。用紫外分光光度法测定MIPs对RCT的吸附性能,结果发现：RCT在272 nm波长处有最大吸光度,测定RCT的回归方程为y=7.354 1x+0.001 0,R2=0.999 9;合成的MIPs对RCT平均吸附率为83.4%。吸附动力学研究表明,MIPs对RCT的吸附时间应控制在10 min以内。红外光谱分析表明RCT与功能单体甲基丙烯酸通过氢键形成MIPs,该聚合物能够通过氢键专一地识别和结合RCT分子,从而为建立基于分子印迹技术检测RCT的方法奠定了基础。     

Equilibrium polymerization in a solvent: Solution on the Bethe lattice

The lattice model for equilibrium polymerization in a solvent proposed by Wheeler and Pfeuty is solved exactly on a Bethe lattice (core of a Caylay tree) with general coordination numberq. Earlier mean-field results are reobtained in the limitq, but the phase diagrams show deviations from them for finiteq. Whenq=2, our results turn into the solution of the one-dimensional problem. Although the model is solved directly, without the use of the correspondence between the equilibrium polymerization model and the diluten0 model, we verified that the latter model may also be solved on the Bethe lattice, its solution being identical to the direct solution in all parameter space. As observed in earlier studies of the puren0 vector model, the free energy is not always convex. We obtain the region of negative susceptibility for our solution and compare this result with mean field and renormalization group (-expansion) calculations.     

Probability theory and polymer physics

This study applies the theory of stochastic processes to the equilibrium statistical physics of polymers in solution. The topics treated include random copolymers and randomly branching polymers, with self-consistent mean field effects. A new and more natural way of dealing with Boltzmann weighting is discussed, which makes it possible from the beginning of a calculation to consider only the physical polymer conformations. We also show that in general the random copolymer problem can be reduced to the ordinary polymer problem, and treat the self-consistent field problem for a general branching polymer.     

Evaluating Individual Market Power in Electricity Markets via Agent-Based Simulation

We use agent-based simulation in a coordination game to analyse the possibility of market power abuse in a competitive electricity market. The context of this was a real application to the England and Wales electricity market as part of a Competition Commission Inquiry into whether two particular generators could profitably influence wholesale prices. The research contributions of this paper are both in the areas of market power and market design policy issues for electricity markets, and in the methodological use of large industry-wide evolutionary simulation models.     

Adsorption effects and NMR properties: Continuous chain approach

The NMR properties of nuclei linked to long linear polymer molecules are sensitive to the influence of hard walls. In this context, the residual energy of tensorial spin-spin interactions is calculated using a path integral approach. Several thermodynamic quantities of the polymer system (free energy, equation of state,...) are also expressed, taking chain stiffness effects and the presence of two repulsive walls into consideration.     

二茂铁有机锡衍生物的13C,119Sn NMR研究

本文测定了几种二茂铁有机锡衍生物的¹¹⁹Sn,¹³C NMR谱。对其中几种衍生物的¹³C NMR谱进行了归属,从而进一步验证了这类化合物的结构。着重讨论了结构如化合物中取代基X的改变对¹¹⁹Sn化学位移的影响。并对结构如 类化合物N→Sn异侧配位的问题进行了讨论。     

一个二维梯状化合物[Ni(μ1，5-dca)2(en)]n的合成，结构和磁性(英)

A new nickel(Ⅱ)-dicyanamide compound, [Ni(dca)₂(en)]_n (1) (dca=dicyanamide anion, [N(CN)₂]^-); en=ethylene diamine), has been synthesized and its structure has been determined by single crystal X-ray diffraction analysis. The crystal is monoclinic, space group P2₁/n with unit cell dimensions: a=0.694 3(1) nm, b=1.041 5(2) nm, c=1.4132(2) nm, and β=90.381°, Z=4, V=1.011 0(3) nm³. In this compound, the adjacent nickel atoms are connected by dca all in μ_1，5-bridging mode to form ladder-like units, which are linked with double dca bridges to generate a regular infinite stair-like structure. Temperature-dependent magnetic susceptibility was also characterized for this compound. CCDC: 208276.     

Influence of polymer dielectric surface energy on thin‐film transistor performance of solution‐processed triethylsilylethynyl anthradithiophene (TES‐ADT)

This study investigates the correlation between surface energy of polymer dielectrics and the film morphology, microstructure, and thin‐film transistor performance of solution‐processed 5,11‐bis(triethylsilylethynyl) anthradithiophene (TES‐ADT) films. The low surface energy polyimide (PI) dielectric induced large grains with strong X‐ray reflections for spin‐cast TES‐ADT films in comparison to high surface en‐ ergy poly(4‐vinyl phenol) (PVP) dielectric. Furthermore, thin‐film transistors based on spin‐cast TES‐ADT films on PI dielectric exhibited enhanced electrical performance, small hysteresis, and high stability under bias stress with carrier mobility as high as 0.43 cm²/Vs and a current on/off ratio of 10⁷. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)