六硝基六氮杂异伍兹烷的机械撞击感度

用不同工艺条件将γ-HNIW转晶为ε-HNIW,得到不同晶癖的ε-HNIW;采用不同包覆剂对ε-HNIW进行包覆研究,得到了表面改性的ε-HNIW;对两类样品进行了机械撞击感度研究。结果表明,近似平行四边形、颗粒较均匀、碎晶少的样品感度最低;颗粒细小、细针状、碎晶多的HNIW样品感度高,石蜡、丁腑橡胶可良好钝感HNIW,聚碳酸酯、丙烯腈-丁二烯一苯乙烯共聚物包覆的样品的感度较高。     

Prediction of Explosives Impact Sensitivity

The determination of impact sensitivity of high explosives(HE) is the most commonly used way of evaluating an explosive hazard. Because of the diversity of practical conditions that make an explosion possible, many experimental methods for measuring sensitivity have been developed. Therefore, the prediction of sensitivity to impact of energetic materials is essential. This work discusses a criterion that aids in such screening for all families of energetic substances. This criterion is based on the maximum heat of reaction. The results of our research reveal a satisfactory mutual interfamily relation between both the theoretical criterion of sensitivity(CS) and experimental values.     

重氮还原法合成酮基布洛芬

以苯胺为原料,经酰化、环化、苯甲酰化,制得5-(苯甲酰基)-3-甲基苯-吲哚酮(2),化合物(2)在氢氧化钡溶液中开环、重氮化、次磷酸还原,一锅制得酮基布洛芬(1),总收率31.1%.     

炸药撞击感度试验的研究

综述了炸药撞击感度的背景知识，试验现象的判定以及撞击感度与分子结构的关系。指出了撞击感度的研究方向。     

渗透探伤过程中灵敏度的控制

本文通过对焊缝的渗透探伤过程,阐述了在渗透探伤中影响检测灵敏度的主要因素。     

Impact Sensitivity of Azide Polymer Composite Propellants

Effects of azide polymers on the sensitivities and fragmentation mechanism were studied in this paper. Only fragmentation was observed at lower impact velocity, up to 172 m/s, even with an one-kilogram impactor. Most of the propellants showed linear relationship between an impact velocity and a fragmented fraction. The critical impact velocity, V_CR, depended on the amount of the binder but not on the chemical structures. The propellants which had no particle oxidizers showed high V_CR and their cracks were hard to grow into a piece of fragment. Nitramine-binder matrix dewetting caused by the deformation of the propellant was supposed to terminate the crack propagation and to damp the impact energy at a higher impact velocity. In AP-based propellants impact velocity dominated the initiation mechanism and impact energy did not control the ranking of the reaction. The friction energy played a more important role in the initiation than did the impact energy. There was no difference in the sensitivity to the card gap test between the azide polymer and HTPB binder.     

Quantum Chemistry Derived Criteria for Impact Sensitivity

Energetic materials are a special and important kind of substance. Impact sensitivity, which refers to the vulnerability to explosion under external stimuli, measures the safety and reliability of an energetic material and is a critical property. Various efforts have been made to rationalize the impact sensitivity of different types of energetic materials. Since a chemical explosion is a chemical reaction dominated phenomenon, a comprehensive understanding of such explosive processes requires detailed information of chemical bonding and molecular interaction. Quantum chemistry provides a modern theory of chemical bonding and computational quantum chemistry is a powerful tool to investigate chemical phenomena. Even at the very beginning of computational quantum chemistry, researchers in the field of energetic materials have begun to apply quantum chemistry to explosive properties. In this paper we review the quantum chemistry studies on impact sensitivity and examine various quantum chemistry derived parameters used to rationalize the impact sensitivity ordering of various energetic materials.     

Parameter Sensitivity in Microsphere Impact and Capture

In the presence of adhesion and under certain conditions a microsphere will be captured during a low speed impact with a substrate. The sensitivity of the capture velocity (the largest initial normal velocity at which capture occurs) to five physical factors is analyzed in this paper. The factors are the Hertzian stiffness, Dupré surface energy, the microsphere radius, a damping coefficient associated with adhesion dissipation, and one associated with material dissipation. The sensitivity is determined by examining the effects of the factors on the capture velocity using a two-level, fractional factorial design layout. Capture velocities are determined using analytical models. Results indicate that the Dupré surface energy and the microsphere radius by far play the greatest role in the capture process. The Hertzian stiffness and the dissipation coefficient associated with adhesion affect capture to a lesser extent; an interaction of the surface energy and the adhesion energy dissipation can also play a small role.     

Synthesis and Photoluminescence Property of Silicon Carbide Nanowires Via Carbothermic Reduction of Silica

Silicon carbide nanowires have been synthesized at 1400 °C by carbothermic reduction of silica with bamboo carbon under normal atmosphere pressure without metallic catalyst. X-ray diffraction, scanning electron microscopy, energy-dispersive spectroscopy, transmission electron microscopy and Fourier transformed infrared spectroscopy were used to characterize the silicon carbide nanowires. The results show that the silicon carbide nanowires have a core–shell structure and grow along <111> direction. The diameter of silicon carbide nanowires is about 50–200 nm and the length from tens to hundreds of micrometers. The vapor–solid mechanism is proposed to elucidate the growth process. The photoluminescence of the synthesized silicon carbide nanowires shows significant blueshifts, which is resulted from the existence of oxygen defects in amorphous layer and the special rough core–shell interface.     

丙烯酸酯橡胶对CL-20的包覆降感及改性

以六硝基六氮杂异伍兹烷(CL-20)为主体炸药、分别以3种类型丙烯酸酯橡胶(ACM)(AR-71、AR-12、AR-14)和Estane 5703为黏结剂、以己二酸二辛酯(DOA)为增塑剂,进行分子动力学(MD)模拟。采用溶液-水悬浮法制备了6种CL-20基PBX,采用FE-SEM、XRD、DSC对其进行表征,并测试了其撞击感度。结果表明,ACM和增塑剂包覆在CL-20晶体表面,颗粒呈球形或椭球形,包覆后CL-20晶型仍为ε型。AR-71包覆的CL-20热安定性最好,热爆炸临界温度比Estane5703包覆的CL-20高2.07℃,同时在3种ACM包覆CL-20体系中,CL-20/AR-71体系的热安定性优于CL-20/AR-12和CL-20/AR-14。AR-71对CL-20降感起到很好的作用。增塑剂的引入有效改善了CL-20/AR-71和CL-20/Estane 5703复合粒子的热稳定性。其中CL-20/AR-71/DOA体系的热稳定性和热安全性最好,同时增塑剂也使CL-20/AR-71和CL-20/Estane5703复合粒子的机械感度降低。     

基于虚拟仪器的撞击感度测试系统

针对撞击感度试验的特点,结合现有自动化发展水平和最新虚拟仪器技术,开发了一套先进的撞击感度测试系统,能一次完成一批试样的测试,具有自动进样、高度定位、气动托锤、气体检测、声压采集、自动判爆、能量检测和报表输出等功能。系统设计合理,安全可靠,性能先进,提高了撞击感度测试的自动化水平。     

A Relationship between Impact Sensitivity and Molecular Electronegativity

It is shown that statistically significant relationships exist between impact sensitivity and molecular electronegativity for several classes of organic high explosives. These include polynitroaromatic and polynitroaliphatic molecules. The correlations closely follow previous results which utilize the idea of “trigger linkages” (C–NO₂, N–NO₂ or O–NO₂) and oxygen balance. However, the present work provides the possibility of establishing a closer relation between impact sensitivity and electronic structure for the molecules studied. It can also be used to clarify the relationship between the results of previous efforts with these molecules and similar work with other explosives. Through a closer analysis of these correlations it is also shown that the presence of a CO₂ moiety in the molecules affects the impact sensitivity.     

多因素预测硝基化合物的撞击感度

为寻求硝基化合物分子结构与撞击感度的关系,预测其撞击感度,选取氧系数、对称性、-COOR、氧杂环、苯环、α-H、α-OH、α-CH、硝基(-NO2)、氨基(-NH2)等作分子结构描述符,用多元线性回归(MLR)计算了123个硝基化合物的撞击感度特性落高对数值(ln H50)。随机选取10个检验样本对模型检验。结果表明,模型的相关系数为0.966。模型具有较高的内部稳定性和外部预测性。10个检验样本的均方根误差(RMS)与平均绝对百分误差(MAPE)分别为14.957cm、13.372%。氧系数(A)与ln H50呈较好的指数关系(R=0.845)。α-OH、α-CH、-NO2作为引发键。单位质量Ni/M(单个分子结构描述符数目与摩尔质量的比)越高,H50值越低。-NH2具有钝感效应。-COOR中"死氧"的存在使化合物的撞击感度降低。     

Relationships between Impact Sensitivity and Molecular Electronic Structure

A very simple calculational procedure is used to investigate the electronic structure of several classes of organic explosives (polynitroaliphatics with trinitromethyl or fluorodinitromethyl groups, polynitroaromatics, polynitroaliphatic nitramines and aliphatic nitrate esters). The method utilizes a bond electronegativity equalization principle. It is shown that atom charges, bond electronegativities and charge transferred in a bond are all potential indicator quantities for predicting impact sensitivity trends for the various classes. Specifically it is shown that charge transferred to the nitro group through a trigger linkage (C NO₂, N NO₂, O NO₂) can classify and correlate impact sensitivity trends in the compounds studied here. The results also indicate that electronic structure is not sufficient by itself to understand the phenomenon. This work in conjunction with previous work⁽¹⁾ shows that both a global quantity (i.e. related to the whole molecule) and a local quantity (i.e. related to the trigger linkage) are needed to understand impact sensitivity behavior.     

几种添加剂对固相水合法生产重质纯碱的影响

研究了固相水合法生产重质纯碱质量的主要影响因素,根据地处高海拔地区的青海碱业有限公司固相法生产重质纯碱的特点,在实验室通过在化合水中添加不同的添加剂,探讨对产品质量的主要因素——白度和粒度的影响,从而为采用固相水合法生产重质纯碱的企业提供借鉴。     

非水解溶胶-凝胶碳热还原氮化法制备TiN粉体研究

首先,以四氯化钛为原料,异丙醚为氧供体,二氯甲烷为溶剂,采用非水解溶胶凝胶法合成高活性的TiO2凝胶;其次以其为钛源,选用分子量为1300000的聚乙烯吡咯烷酮为碳源,采用碳热还原氮化法合成TiN粉体。X射线衍射仪、场发射扫描电镜和激光粒度仪测试结果表明,与水解法相比,采用非水解法合成的TiO2凝胶经800℃煅烧0．5h仍为活性较高的锐钛矿相,以该凝胶为钛源,经1200℃碳热还原氮化2h可合成纯度相对较高的TiN粉体,将合成温度升至1300℃还原氮化5h可合成更高纯度的TiN粉体。TiN粉体颗粒呈近似球形,发育较好,粒径在1μm以下,激光粒度测定粒径主要集中在10μm左右,d50为8μm。     

聚合物材料冲击缺口敏感性的研究

本文对８种聚合物材料进行了系列冲击试验，结果认为，聚合物材料的缺口敏感性用σｎ（缺口冲击强度）／σｏ（无缺口冲击强度）和Ｋｓ（切口尖锐度敏感因子）两种方法评价得出的结论基本一致。单相聚合物材料（ＰＣ，ＰＰ和ＰＯＭ）的缺口敏感较多相聚合物材料（ＰＶＣ，ＧＦＰＡ，ＧＦＰＣ，ＨＩＰＳ，ＡＢＳ）的大；Ｋｓ只在相同断裂机制条件下适用；温度对多数聚合物材料的缺口试样裂纹萌生功影响不大。     

多硝基芳香化合物撞击感度的量子化学研究

采用了ＰＭ３方法对一系列多硝基芳香类化合物进行了几何构型的全优化和平衡几何构型下的电子结构计算，结果表明，对于引发键为Ｃ－ＮＯ２的炸药分子，Ｍｕｌｉｋｅｎ键级顺序与实测的Ｈ５０顺序一致。Ｔｅｔｒｙｌ中引入ＮＨ２后，分子中的－Ｎ（ＣＨ３）（ＮＯ２）基团被活化。     

乳化炸药撞击感度的测试方法

建立了一种适应乳化炸药特性的撞击感度测试方法。该方法采用现有的WL-1型落锤仪,在击柱间加石英砂测其特性落高,通过对比不同乳化炸药特性落高值的大小来对比不同乳化炸药的撞击感度。该方法科学可靠．简便易行,可以分辩不同乳化炸药之间的撞击感度差异。试验表明,不同品种不同工厂生产的乳化炸药,其撞击感度可能有较大的差异。     

多晶硅的还原工艺自动控制技术

首先分析了在多晶硅生产过程中存在的一些问题,接着通过从系统功能的设计出发,然后说明电流的预测模块的重要性,最后,在自动控制技术方面,通过一些程序的设立和改进提高还原工艺的自动化程度,还从安全方面分析了自动控制技术的优点。