Characterization of poly(vinylidene fluoride)/Na+‐MMT composites: An investigation into the β‐crystalline nucleation effect of Na+‐MMT

Poly(vinylidene fluoride)(PVDF)/Na⁺‐MMT composites have been successfully prepared utilizing sodium montmorillonite (Na⁺‐MMT) via N,N‐dimethylformamide (DMF) solution mixing. The dispersion of Na⁺‐MMT layers in composites were investigated by transmission electron microscopy (TEM) and X‐ray diffraction (XRD). The effect of adding Na⁺‐MMT on crystallization behavior of PVDF was specifically studied. The β‐crystalline nucleation effect of Na⁺‐MMT was investigated and confirmed by differential scanning calorimetry (DSC), XRD, and Fourier transform infrared (FTIR) results. The interaction between PVDF and the surface of Na⁺‐MMT layers in DMF solution was confirmed by UV‐Vis absorbency. The effect of adding Na⁺‐MMT on rheological and electrical properties of PVDF/Na⁺‐MMT composites were also determined. © 2009 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 47: 903–911, 2009     

Na2分子部分电子态的完全振动能谱和离解能的精确研究

对于大多数双原子分子的电子态，用现代实验方法或精确的量子理论方法往往可以获得含m个振动能级的能谱子集合［Ev］，而不易得到包含最高振动能级在内的所有高振动量子态能级的完全振动能谱{Ev}.鉴于Na2分子电子态的振动能谱和分子离解能De在实际研究和应用中的重要性，使用基于微扰理论的代数方法（AM），获得了Na2分子一些电子态的振动光谱常数和完全振动能谱；使用基于AM的代数能量方法（AEM）获得了这些电子态的正确离解能.研究结果表明：AM方法能从少数精确的实验能级获得精确的分子振动光谱常数集合和正确的完全振动能谱{Ev}，AEM方法获得的分子离解能比由文献发表的振动光谱常数计算得到的近似离解能值更准确，对于难以获得分子离解能的那些电子激发态，AEM方法能给出合理的离解能数据. 关键词： Na2分子 代数方法 振动能级 离解能 电子激发态     

Spin States of Iron(III) in Highly Saddled Dodecaphenylporphyrin Complexes

The alignment correlation term in the β-decay angular distribution from purely nuclear spin aligned ²⁰Na has been measured for the first time. The final objective is to test the G parity symmetry, one of the fundamental symmetry in the weak nucleon current. For artificial creation of the alignment, the knowledge of the hyperfine interaction of ²⁰Na implanted in a single-crystal ZnO was utilized. *Research Abroad, Japan Society for the Promotion of Science     

六偏磷酸钠对AZ31镁合金电化学行为的影响

为提高AZ31镁合金阳极的活化性能以及抑制它的腐蚀,用电化学等方法研究了在中性3.5%Na Cl体系中,六偏磷酸钠(Na6(PO3)6)对AZ31镁合金电化学行为的影响。结果表明:Na6(PO3)6能大幅度抑制AZ31镁合金的腐蚀,但极化程度有所增大。当Na6(PO3)6的质量分数为2.0%时,AZ31镁合金的缓蚀率高达74.9%,腐蚀后其表面均匀,且活化性能有所改善,在-1.10V处时合金的电流密度高达0.033 m A.cm-2,开路电位Eocp负移程度最大(-1.59 V),活化电位Eact负移程度最大(-1.38 V)。试验结果为AZ31镁合金作为电极材料提供了参考。     

ChemInform Abstract: Crystal Structure of Potassium Sodium Heptahydrogen Hexamolybdocobaltate(III) Octahydrate: An Extra‐Protonated B‐Series Anderson‐Type Heteropolyoxidometalate.

KNa[Co^III(OH)₇{Mo₆O₁₇}] ·8H₂O is obtained by ion‐exchange from a solution of K₃ [Co(μ₃‐OH)₆Mo₆O₁₈] ·7H₂O at ≈pH 1.4 using Amberlite IR120 ion exchange resin followed by concentrating the solution in a hot water bath.     

Monte Carlo molecular simulation of the Na-, Mg-, and mixtures of Na/Mg-montmorillonites systems,in function of the pressure

In this paper, Monte Carlo (MC) simulation has been used to study the swelling pattern of Na-montmorillonite (Na-Mnt), Mg-montmorillonite (Mg-Mnt), and Na/Mg-mixture montmorillonite (4NaMg-Mnt; 2Na2Mg-Mnt). The molecular simulation was performed in the NVT (number of molecules, volume and temperature are constant) ensemble at normal temperature (300 K) and 225, 300, and 340 bar over an H₂O content 147, 196, and 294 mg g^?1 of clay. The simulations reproduce the swelling pattern of Na-Mnt and Mg-Mnt. The predicted spacing of the Na/Mg-Mnt mixtures is closely related to that of Mg-Mnt and confirms the results reported in the literature for Na-rich/Mg-poor Mnt. The results of the water adsorption and the swelling properties on the system Na-Mnt, Mg-Mnt, and the Na/Mg-Mnt mixtures are reflected with a transformation to two-hydrate stages. The probability of the coordination number of Na⁺, Mg²⁺, and mixtures tends to increase with an increasing amount of H₂O molecules, but decreases with increasing pressure. The cation–oxygen distances (Na–O or Mg–O) show two signals, corresponding to the first and second coordination shells, which indicates that the ions behave as in bulk water.     

NaB2和Na2B的结构与解析势能函数

使用Gaussian03程序包,采用单双取代耦合簇(CCSD)方法,选择基组6-311+g(2df)、6-311++g(3df,3pd)分别对B2及NaB和Na2分子的基态进行优化计算,运用最小二乘法拟合得到B2、NaB和Na2分子势能函数,给出与实验值符合很好的光谱常数;选择6-31++g（3df,3pd）基组,对NaB2和Na2B分子的结构进行优化计算.在此基础上,采用多体项展式法,得到NaB2和Na2B分子基态解析势能函数.势能面静态特征表明,该势能函数准确再现了NaB2和Na2B分子基态平衡结构.     

Synthesis and NHE1 inhibitory activity of ligustrazine derivatives

A series of novel derivatives of ligustrazine linked with substituted benzoyl guanidine were synthesized. These compounds have not been reported in literature, and their chemical structures were confirmed by IR, 1H NMR and MS. The results of NHE1 inhibitory activity test showed that compounds I2, I3, I4, I6, and I7 possess more potent NHE1 inhibitory activity than cariporide.     

钛酸铋钠系铁电体的相变研究

研究了(Na0.5Bi0.5)TiO3,(Na0.5Bi0.5)(1-x)BaxTiO3和(Na0.5Bi0.5)(1-x)SrxTiO3陶瓷的介电温谱,确认了该系列材料在520℃以下的高、低温两种介电反常和存在于这一温度区间的巨大热滞现象.发现该类材料只存在对应于低温介电反常的介电损耗峰,而对于高温介电峰则无对应的损耗峰.同时,常温时材料的结构特征对于其介电温谱的特征影响较小,但施加偏置场却可明显改变材料的介电温谱特征:1)可使得材料的热滞现象几乎消失;2)适当偏置场下材料升降温介电曲线可与零偏场下介电 关键词： 钛酸铋钠 热滞 相变 极性微区     

NaCl interaction with interfacially polymerized polyamide films of reverse osmosis membranes: A solid-state Na NMR study

²³Na nuclear magnetic resonance (NMR) spectroscopy of NaCl-exchanged polyamide (PA) films comparable to those of the active skin layer of many reverse osmosis (RO) membranes provides novel insight into the structural environments and dynamical behavior of Na⁺ in such films. Unsupported PA films were synthesized via interfacial polymerization of trimesoyl chloride in hexane and m-phenylenediamine in aqueous solution, and SEM, FT-IR, and ¹³C NMR data demonstrate successful thin film polymerization. Compositional data confirm this conclusion and demonstrate equal Na and Cl incorporation during NaCl exchange from aqueous solution. The ²³Na NMR spectra for freshly made polymer samples exchanged in 1 M NaCl solution show significant relative humidity (RH) dependence. At near 0% RH, there are resonances for crystalline NaCl and rigidly held Na⁺ in the PA. With increasing RH, a resonance for solution-like dynamically averaged Na⁺ appears and above 51% RH is the only signal observed. The slightly negative chemical shift of this resonance suggests a dominantly hydrous environment with some atomic-scale coordination by atoms of the polymer. The greatly reduced ²³Na T₁ relaxation rates for this resonance relative to bulk solution and crystalline NaCl confirm close association with the polymer. Variable temperature ²³Na NMR spectra for a sample equilibrated at 97% RH obtained from −80 to 20 °C show the presence of rigidly held Na⁺ in a hydrated environment at low temperatures and replacement of this resonance by the dynamically averaged signal at temperatures above about −20 °C. The results provide support for the solution–diffusion model for RO membranes transport and demonstrate the capabilities of multi-nuclear NMR methods to investigate molecular-scale structure and dynamics of the interactions between dissolved species and RO membranes.