Explosive chemistry: Simulating the chemistry of energetic materials at extreme conditions

In this article, we review recent atomistic computational techniques to study the electronic structure aspects and chemistry of energetic materials at high-pressure and/or high temperature. While several mechanisms have been proposed for the initial events of energetic materials at high-pressure, we explore the validity of a proposed shear-induced local metallization via molecular bond bending in the insensitive explosive TATB. We study the effect of high-stress (both uniform and uniaxial) on the electronic energy band-gap and the first chemical event of a prototypical energetic material, that of nitromethane. We also determine chemical reactions rate laws and decomposition mechanisms from a quantum-based molecular dynamics simulation of HMX, a widely used explosive material, at conditions of high density and temperature similar to that encounter under detonation. Finally, we review a new multi-scale computational tool recently developed to model the shock-induced chemistry of energetic materials at the atomistic level, and report its applicability to shocked solid nitromethane. This revised version was published online in June 2006 with corrections to the Cover Date.     

防垢剂BZF－2的研制与应用

桩西油田产出原油综合含水已达６０％－７０％，原用防垢剂ＨＥＤＰ已失去有效抑制集输站结垢的性能。本工作针对结垢最严重的桩５２站的应用，研制了以有机膦化合物和聚氧乙烯醚为主成份的防垢剂ＢＺＦ－２，在室内考察了不同条件下的防垢率、腐蚀性、配伍性等性能，在桩５２站进行了为期４个月的现场试验，加量为１０．３ｍｌ／ｌ、防垢率≥９８．０％，加药设备管线的腐蚀率大大降低。     

阴,阳离子聚合物地层内凝胶化改善水驱效果的研究

研究了一杆阴离子聚合物（Ａｃ５３０）和一种阳离子聚合物（Ｍｂ５８１）在水溶液中形成凝胶的条件和过程、凝胶化学结构、形态、稳定性和力学性能。在模拟地层的二维微观模型内观测了两种聚合物驱替渗流、相逼、形成凝胶、凝胶封堵大孔道的机理。在亲水填砂模型内测定了阴、阳离子聚合物凝胶体系降低渗透率的能力。     

Fracture toughness of short carbon fibre reinforced thermoplastic polyimide

The fracture toughness testing of short fibre reinforced thermoplastic materials were performed. Materials tested were the polyimide resin and also that reinforced with 20 wt% or 30 wt% short carbon fibre. For introducing the initial crack, the tapping method, the sliding method and the bridge indentation method were examined. Among them, the sliding method was found to be effective for every case. The fracture tests were conducted by the three-point bending test with several loading rates. Stable crack growth was observed for the neat material while unstable fracture occurred for the reinforced materials. The critical values of the stress intensity factor at crack initiation were greater for the reinforced materials than for the neat resin. The fracture toughness of the 30 wt% reinforced material was independent of loading rate while that of 20 wt% reinforced material increased with loading rate. In order to investigate the fracture mechanisms, fractographic observations were also performed.     

Long multifilament Bi-2223 Ag-sheathed superconducting tapes and solenoids

Multifilament Ag-sheathed BiPbSrCaCuO (2223) superconducting tapes containing 49 filaments were fabricated by the powder-in-tube route and the roll-anneal process. The transport critical current densityJ _c was 1.3×10⁴ A cm^–2 at 77 K and 7×10⁴ A cm^–2 at 4.2 K in self-field. A 12-m-long tape was used to construct superconducting solenoids (50, 28, and 14 mm internal diameters) generating dc fields 380–1070 G at 4.2 K. Measurements of the variation ofJ _c with field (0–1.6 T) and bend strain (0–5%) are used to explain the performance of the solenoids. The critical bend strain of tapes was about 1.5%.     

煤矿生产、安全调度LED电子大屏幕显示系统的设计

通过比较煤矿生产、安全调度显示方式的优缺点，提出和分析了适合于煤矿生产安全调度的ＬＥＤ电子大屏幕显示系统配置、功能及特点。     

利用信息融合方法的三维特征提取

本文提出了一种基于信息融合的物体三维特征的提取方法，该方法利用两幅互相配准的三维测距图像和灰度图像，来提取多面体的三维特征。首先，通过分析灰度图像中的灰度变化及测距图像中的测距值变化，分别求取各自图像中物体的特征点及特征边；然后，利用两配准图像之间的对应关系，求得所有特征点、面与多边形在三维测距图像中的三维表示；接着，通过分析三维测距图像中所测得的各候选平面上特定点与边处的曲率及法向，验证候选平面     

改性双马来酰亚胺的研究

本文研究了双马来酰亚胺与烯丙基化合物形成的改性树脂体系的固化和热性能，讨论了单体配比、增韧剂、催化剂对性能的影响。     

2-乙基己酸的制备

研究了 2乙基己酸的制备 ,该反应是 2乙基己醇与氢氧化钠在催化剂存在下进行氧化、脱氢 ,生成产物2乙基己酸。通过实验找到了一种新型、高效、廉价的催化剂 ,以及最佳反应条件。通过对 2乙基己酸的分析测试 ,产品完全符合质量标准。