PC/尼龙6共混合金的结晶结构与性能

聚碳酸酯(PC)由于具有突出的冲击韧性、良好的透明性、尺寸稳定性和电气绝缘性而广泛应用于电子电气、仪器仪表、汽车、机械、医疗、照明和建筑等领域,是一种综合性能优良的工程塑料.但也存在着加工流动性差和耐药性差、易应力开裂及对缺口敏感等缺陷,且价格昂贵,因而限制了它的应用范围.对PC进行合金化,提高PC的性能,降低成本是PC改性的重要研究方向,开发成功的PC合金有PC/ABS,PC/PET,PC/PBT[1]和PC/PE[2]等.制备高性能PC/尼龙6(PA6)合金是目前国内外PC改性的热点.PA6的加入可以改善PC的耐药性、耐应力开裂性及加工性能,降…     

多氰代吗啉硝基苯的高压合成与晶体结构

在高压的条件下,用多氯代硝基苯和吗啉的芳香族亲核取代反应合成了多氯代吗啉硝基苯类化合物.3,4,5-三氯-2,6-二吗啉基硝基苯的单晶X-衍射测定结果表明,该化合物分子内有很大的立体位阻,以至吗啉环和硝基平面相互平行且垂直于苯环平面.该晶体属orthorhombic晶系,Pnma空间群,晶胞参数为a=1.2103(2)nm,b=2.1184(2)nm,c=0.6728(1)nm,α=β=γ=90°,Z=4.     

尼龙1010骤冷退火样品的晶体结构

尼龙1010的晶体结构属三斜晶系.作者最近导出了X射线衍射法(WAXD)测定尼龙1010结晶度的公式,进而考查了等温结晶时结晶温度T_C对结晶度X_C、晶粒尺寸L_(100)和氢键面相对衍射强度R的影响.发现X_C和L_(100)均随T_C升高而增大,达196℃后又减小;而R与T_C的关系则相反,呈线性降低.结晶速率快有利于分子链在垂直于氢键面的(100)晶面生长,但R值却降低了.本文利用WAXD考查了尼龙1010不同骤冷退火条件样品的晶体结构.     

Crystal Structure of the High Pressure Phase(II) in CuGeO3

Crystal structures of the ambient pressure and temperature phase (phase I) and high pressure phase (phase II) in CuGeO₃ were studied by means of the high pressure single‐crystal X‐ray diffraction method in a diamond anvil cell using high power X‐ray generator and imaging plate detector. The pressure dependence of the atomic displacements in the phase I was investigated under the hydrostatic pressure of 0.1 MPa and 2.9 and 3.9 GPa. The lattice is particularly compressive in the b direction. In phase I the rippled layers are formed by the corner‐shared chains of GeO₄ tetrahedra and edge‐linked planar CuO₄. Major effects of pressure, directly related to the shortening of the b‐axis, consist of an enhanced folding of the rippled layers towards the b‐direction and of a shortening of the weak Cu–O bond. The crystal structure of phase II is monoclinic, a = 4.935(57), b = 6.754(14), c = 6.208(11) Å, β = 92.67(3)°, space group; P2₁/c. The transition from phase I to II involves a corrugated arrangement of the both cation with some oxygens around the c‐axis. Ge ion at the transition point of 6.4 GPa changes its coordination number from four‐fold to five‐fold, and Cu ion occupies a position of seven‐fold site. The structure of phase II is explained as a slab structure having unique edge‐ and corner‐sharing arrangements of GeO₅ and CuO₇ polyhedra. The average Ge–O and Cu–O distances in phase II is 1.92 and 2.17 Å, respectively, at 6.5 GPa.     

Crystal Structure and Non-Hydrostatic Stress-Induced Phase Transition of Urotropine Under High Pressure

High-pressure behavior of hexamethylenetetramine (urotropine) was studied in situ using angle-dispersive single-crystal synchrotron X-ray diffraction (XRD) and Fourier-transform infrared absorption (FTIR) spectroscopy. Experiments were conducted in various pressure-transmitting media to study the effect of deviatoric stress on phase transformations. Up to 4 GPa significant damping of molecular librations and atomic thermal motion was observed. A first-order phase transition to a tetragonal structure was observed with an onset at approximately 12.5 GPa and characterized by sluggish kinetics and considerable hysteresis upon decompression. However, it occurs only in non-hydrostatic conditions, induced by deviatoric or uniaxial stress in the sample. This behavior finds analogies in similar cubic crystals built of highly symmetric cage-like molecules and may be considered a common feature of such systems. DFT computations were performed to model urotropine equation of state and pressure dependence of vibrational modes. The first successful Hirshfeld atom refinements carried out for high-pressure diffraction data are reported. The refinements yielded more realistic C−H bond lengths than the independent atom model even though the high-pressure diffraction data are incomplete.     

高压下两种8-羟基喹啉络合物的发光行为和结构变化

测定了在高压条件下两种金属（钙和锌）的8 羟基喹啉络合物的晶体粉末样品的发光行为和原位X光衍射光谱.结果表明,压力对其发光性质产生极大的影响.随着压力的增加,8 羟基喹啉钙的发光强度在3 GPa以内时大大增加,随后发光强度快速下降,到7 GPa左右时几乎为零.而8 羟基喹啉锌的发光强度随压力的增加而逐渐降低,到7 GPa左右时约为常压的10％.高压下的原位X光衍射结果表明,8 羟基喹啉钙的晶体在3～4 GPa开始 发生非晶化相变,在7 GPa时该非晶化相变完成,样品的X光衍射完全消失.而8 羟基喹啉锌在压力的作用下（至16 GPa）没有发生明显的相变.     

尼龙—6／丙烯酸接枝膜的结构与性能

应用ＩＲ确定了尼龙－６与丙烯酸接枝反应的接枝点位于尼龙大分子酰胺键的Ｎ原子上，用Ｘ射线衍射研究了接枝膜的结晶状况，探讨了接枝率对接枝膜的电阻、离子交换容量、强度等性能的影响．     

Structural Properties of Nitromethane Molecular Crystal under High Pressure： An ab initio Investigation

The pressure-dependent structural properties under hydrostatic pressure up to 120 GPa and the decomposition under uniaxial compression along the b lattice vector up to 40 GPa of nitromethane molecular crystal using ab initio method are presented. The internal molecular bond lengths and bond angles were calculated for different pressures. All bond lengths decrease as the pressures are increased under hydrostatic compression. The obvious rotation of methyl group is 33.89° under hydrostatic pressure at 120 GPa. In addition, we observe the change of C-H bonds, which have been stretched under uniaxial compression along b lattice vector in the range of 0-40 GPa of nitromethane.     

ChemInform Abstract: Crystal Structures and Properties of Nitrogen Oxides under High Pressure.

First‐principles calculations (USPEX and CASTEP code) using plane‐wave pseudopotentials under the generalized gradient approximation functional of Perdew—Burke—Ernzerhof are performed to investigate the structural, electronic, and elastic properties of N₂O₄ and N₂O₅.     

高压化学

高压化学在现代科学中占有重要的地位,并在过去二十几年中取得了快速的发展。本文简要介绍了高压化学及高压化学研究领域在诸多方面的研究进展,其中包括高压无机化学和高压有机化学,以及高压在化学合成和化学过程研究中的应用,展示了高压化学的研究现状及其在许多方面的应用前景。     

Modeling Equilibrium Behavior of Nylon 6, Nylon 6,6 and Nylon 6/6,6 Copolymer

Nylon 6 and nylon 6,6 reaction equilibria depend in a complex way on water concentration and temperature. For example, data sets from six research groups reveal that the apparent equilibrium constant for polycondensation increases with water at low water concentrations, reaches a maximum, and then decreases as the water concentration rises further. In this article, semi‐empirical expressions are proposed to describe the experimentally observed equilibrium behavior for the five main reactions that occur during nylon 6 and nylon 6,6 polymerization. Nine side reactions involving amidine ends, cyclopentanone ends, and hydrated carboxyl ends are used to develop expressions that account for the influence of both water and temperature on these equilibrium constants. Excellent fit to the data, over the entire range of the available nylon 6 and nylon 6,6 literature data, suggests that the proposed equations will be helpful for modeling reaction equilibria for nylon 6/6,6 copolymerization.     

Synthesis and Crystal Structure of 6—Bromo—piperonal—dimethyl—acetal

1 INTRODUCTION 6-Bromo-piperonal-dimethyl-acetal is an intermediate used for the synthesis of natural products, such as podophyllotoxin[1] and the related compounds[2～6] due to the useful biological activities associated with some of its derivatives[7, 8]. In particular, glycoside derivatives of 4?dimethyl- 4-epipodophyllotoxin have been used in cancer chemotherapy[9, 10]. The title compound has been synthesized from raw material piperonal, after bromo substitution and acetal protection…     

Thermogravimetric Analysis of Blends Based on Nylon 6 and a Thermotropic Liquid Crystal Copolyester

The thermal stabilities of blends between Nylon 6 and the liquid crystal copolyester Vectra A were investigated by thermogravimetric analysis under dynamic and isothermal conditions. The theoretical mass loss curves were compared with the experimental ones in order to establish the influence of blending on the thermal stabilities of the pure polymers. The characteristic degradation temperatures and the relative values of the volatilized matter percentages were obtained from the dynamic curves, and the effect of the blend composition was analysed. The resulting data, together with the analysis of the activation energies, demonstrated that blending has an important effect on the thermal stability of Vectra A, which undergoes a considerable destabilization in the presence of Nylon 6. This revised version was published online in July 2006 with corrections to the Cover Date.     

KSmLaF6的合成和结构

ＫＳｍＬａＦ６的合成和结构许莉＊吴国庆（浙江大学化学系杭州３１００２７）（北京师范大学化学系北京）关键词二价钐，氟化物，合成，结构１９９６－１１－３０收稿，１９９７－０６－０３修回国家自然科学基金资助课题钐离子是主要的变价稀土离子之一，特别是在用Ｓｍ...     

高压下聚合物及其复合体系的结构与性能研究进展

随着科学技术的进步,材料科学有了很大的发展,其中高分子材料的发展应用尤为迅速。许多高分子材料在新的环境下结构与性能之间的关系都有待于研究。因此,了解它们在一些极端条件下（如高温高压、低温低压等）,结构与性能之间的变化规律是十分必要的。高压对聚合物材料的结构与性能有较大的影响。国内外学者主要对聚烯烃、聚酯、聚酰胺等聚合物及其复合体系的高压结晶和高压退火行为进行了一系列研究工作。本文介绍了这一领域的研究概况和最新进展。