Studies on thermal, mechanical and morphological behaviour of caprolactam blocked methylenediphenyl diisocyanate toughened bismaleimide modified epoxy matrices

Diglycidyl ether of bisphenol A epoxy resin (DGEBA, LY 556) was toughened with 5%, 10% and 15% (by wt) of caprolactam blocked methylenediphenyl diisocyanate (CMDI) using 4,4′-diaminodiphenylmethane (DDM) as curing agent. The toughened epoxy resin was further modified with chemical modifier N,N′-bismaleimido-4,4′-diphenylmethane (BMI). Caprolactam blocked methylenediphenyl diisocyanate was synthesized by the reaction of caprolactam with methylenediphenyl diisocyanate in presence of carbon tetrachloride under nitrogen atmosphere. Thermal properties of the developed matrices were characterized by means of differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), heat distortion temperature (HDT) and dynamic mechanical analysis (DMA). Mechanical properties like tensile strength, flexural strength and impact strength were tested as per ASTM standards. The glass transition temperature (T_g) and thermal stability were decreased with increase in the percentage incorporation of CMDI. The thermomechanical properties of caprolactam blocked methylenediphenyl diisocyanate toughened epoxy resin were increased by increasing the percentage incorporation of bismaleimide. The values of impact strength for epoxy resin were increased with increase in the percentage concentration of CMDI. The homogeneous morphology of CMDI toughened epoxy resin and bismaleimide modified CMDI toughened epoxy resin system were ascertained from scanning electron microscope (SEM).     

Theoretical Study of Energetic Complexes (III): Bis‐(5‐nitro‐2H‐tetrazolato‐N2)tetraammine Cobalt(III) Perchlorate (BNCP) and Its Transition Metal (Ni/Fe/Cu/Zn) Perchlorate Analogues

The geometric conformation and electronic structure of bis‐(5‐nitro‐2H‐tetrazolato‐N²)tetraammine cobalt(III) perchlorate and its Ni/Fe/Cu/Zn analogues are studied under the TPSS (Tao‐Perdew‐Staroverov‐Scuseria) levels of density functional theory in order to throw light on the relationship between their energy gaps and impact sensitivity. While the perchlorate ions are coordinated with the copper cation, which is different from the other four compounds. NBO (Natural bond orbital) analyses indicated that the metal‐ligand interaction in the Co complex is covalent, while the others are ionic. The analysis of the electrostatic potential demonstrated that the O atoms from the nitro‐tetrazole ring and perchlorate were primarily negative, while the other atoms were positive. The study was also conducted to gain a better understanding of the correlation of the energy gap and impact sensitivity.     

两种离子源技术GC/MS法检测蔬菜中多类除草剂的残留量

采用电子轰击(EI)和负化学(NCI)离子源两种离子源技术气相色谱-质谱联用法(GC-MS)测定了蔬菜中10类除草剂的残留量, 并对两种方法进行了比较. 样品经乙腈提取后, 用PSA固相萃取柱净化, 由气相色谱-质谱联用EI或NCI技术进行定量和定性分析. 对含电负性强的除草剂分析, NCI灵敏度高, 在10 ng/g, 20 ng/g和40 ng/g 3个添加水平下的方法回收率为70%～115%, RSD为1.7%～10.1%, 两种离子源技术可以互相补充用于准确检测蔬菜中多类除草剂.     

铂族元素在环境和生物样品中的积累及毒性研究进展

由汽车尾气净化器的安装使用而导致环境中的铂族元素尤其是铂、钯、铑的含量逐渐增长,铂族元素对于生活和生态环境的影响也越来越多受到关注.论述了汽车三元催化剂中铂族元素毒性、铂族元素在环境和生物样品的分布、环境样品中铂族元素的消解、测定方法以及干扰处理方法,总结了多国测定结果并对结果进行了综合评述.     

Band gaps and the possible effect on impact sensitivity for some nitro aromatic explosive materials

The first principle density functional theory method SIESTA has been used to compute the band gap of several polynitroaromatic explosives, such as TATB, DATB, TNT, and picric acid. In these systems, the weakest bond is the one between an NO₂ group and the aromatic ring. The bond dissociation energy (BDE) alone cannot predicate the relative sensitivity to impact of these four systems correctly. It was found that their relative impact sensitivity could be explained by considering the BDE and the band gap value of the crystal state together. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009     

Comparative Studies on Mass Spectrometric Fragmentation of Linear Chiral Secondary Alcohols （ R ） -1-（4-Alkylphenyl） and （ R ） -1- （ 4-Alkoxyphenyl/Alkylthiophenyl ） Alcohols

Introduction Chiralsecondaryalcoholsareveryimportantinter mediatesinorganicsynthesis.Theyaregenerallypre paredviachemicalorenzymaticresolutionofracemic secondaryalcohols[1—4],chemicalorenzymaticasym metricreductionofprochiralketones[5—7],andasym metrica…     

“Electron collisional excitation of argon-like Ni XI using the Breit-Pauli R-matrix method”

In a recent paper, Verma et al. [Eur. Phys. J. D 42, 235 (2007)] have reported results for energy levels, radiative rates, collision strengths, and effective collision strengths for transitions among the lowest 17 levels of the (1s²2s²2p⁶)3s²3p⁶, 3s²3p⁵3d and 3s3p⁶3d configurations of Ni xi. They adopted the civ3 and R-matrix codes for the generation of wavefunctions and the scattering process, respectively. In this paper, through two independent calculations performed with the fully relativistic darc (along with grasp) and fac codes, we demonstrate that their results are unreliable. New data are presented and their accuracy is assessed.     

波叠加声场重构精度的影响因素分析

波叠加法是利用等效源的思想来求解声辐射问题的一种数值方法.其原理并没有确切地规定如何配置等效源.正由于这些不确切性的存在,当将它应用到声场重构时,有必要检验重构的准确性,分析影响重构精度的各种因素,目的是通过分析而获得一些提高重构精度的规律.通过理论分析和数值仿真,分析了各因素对重建准确性的影响.证明等效源必须配置在辐射体内部,而且最好能与辐射体表面共形;但测量面并不需要与辐射体表面共形,而且也不需要在近场测量;还发现,Tikhonov和TSVD正则化方法很适合与波叠加法结合用于声场重构.依据这些规律能更好地应用波叠加法进行声场重构,也将拓宽其应用范围. 关键词： 声场重构 波叠加法 误差影响因素 正则化方法     

中高能电子电离He原子的二重微分截面

这篇文章用BBK和DS3C模型,计算了入射能为100,200,300,400和600 eV等中、高能情况下,电子入射电离He原子的二重微分截面(DDCS),给出了散射电子和敲出电子截面的角分布.散射电子和敲出电子的二重微分截面分别通过敲出电子和散射电子三重微分截面(TDCS)在全空间的角度积分而得到,所有的理论结果与有效的实验测量进行了比较.研究表明:除400和600 ev的高入射能之外,理论结果均能与绝对测量的实验结果较好的符合.     

Simulation solution for micro droplet impingementon a flat dry surface

This paper presents a computational fluid dynamics approach for micro droplet impacting on a flat dry surface. A two-phase flow approach is employed using FLUENT VOF multiphase model to calculate the flow distributions upon impact. The contact line velocity is tracked to calculate the dynamic contact angle through user defined function program. The study showed that the treatment of contact line velocity is crucial for the accurate prediction of droplet impacting on poor wettability surfaces. On the other hand, it has much less influence on the simulation of droplet impacting on good wettability surfaces. Good fit between simulation results and experimental data is obtained using this model.