超声波技术制备低密度聚氨酯泡沫塑料炸药

采用超声波技术制备了密度为0.04～0.15g·cm-3的低密度聚氨酯泡沫塑料炸药,并测试了其爆炸性能,分析了制备过程中影响聚氨酯泡沫塑料炸药密度的因素。     

1-甲基-2，4，5-三硝基咪唑合成工艺优化

以咪唑为原料,通过两步硝化制得1,4-二硝基咪唑,然后在氯苯中热重排得2,4-二硝基咪唑,将2,4-二硝基咪唑进-步硝化并制得2,4,5-三硝基咪唑的钾盐,最后将钾盐甲基化,得到1-甲基-2,4,5-三硝基咪唑（MTNI）,收率23％。采用红外光谱、元素分析、核磁共振的方法对其结构进行表征。用DSC进行了热分解研究。优化了2,4-二硝基咪唑的合成工艺：反应温度为123±2℃,反应时间为6h,n（1,4-二硝基咪唑）：n（氯苯）=1：9。改进了前两步硝化条件和2,4,5-三硝基咪唑钾盐的合成工艺。     

Effect of solvent on the crystal morphology of royal demolition explosive

Important crystal faces that dominate the crystal morphology of royal demolition explosive (RDX) in vacuum were analyzed with the attachment energy (AE) method. Molecular dynamics (MD) simulations were used to calculate the interaction energies between these crystal faces and different solvent molecules for an attachment energy correction. Growth habits in the presence of different solvents were generated. The results showed that some crystal faces in solutions became morphologically more important than that in vacuum while others became less important. Thus, crystal shape and surface property changed a lot with the variation of crystal faces. The results from calculation were in agreement with those from the re-crystallization experiment, which indicated that cyclohexanone (CH) was a promising solvent to modify the crystal morphology of RDX for obtaining products with regular shape and high purity, while butyrolactone (BL) played a great role in improving the surface electrostatic property of RDX.     

亚硫酸钠-亚硫酸氢钠法精制TNT工艺

为降低TNT精制过程中副产物的生成量,改善TNT结晶质量,根据精制液的pH值控制在8以下可抑制副反应,从而降低TNT损失的原理．采用亚硫酸钠-亚硫酸氢钠混合溶液代替亚硫酸钠溶液进行TNT精制,由弱酸和弱酸盐形成的缓冲溶液,使体系的酸度得到控制,抑制了副产物HNBB和MPDM的生成,减少了α-NT的损失。试验结果显示：亚硫酸氢钠法精制的TNT纯度较高,与亚硫酸钠法相比,TNT的熔点高0．04℃,平均得率提高2．5％,质量明显改善。有利于消除药柱缩孔和裂纹,可有效改善装药性能;洗涤次数的减少可降低废水量。     

传爆药柱用太安降低酸值的研究

对传爆药柱用粗品太安降低酸值进行了试验室摸索试验、生产线小型和中型试验。试验数据表明．粗品太安经除酸剂溶液煮洗后,各项指标全部达到合同规定．产品性能完全满足使用要求,可利用工厂现有设备进行批量生产。     

废酸转晶中的废酸用量研究

在醋酸法制备HMX的工艺中，为获得β-HMX晶型，通过改变工艺条件，使废醋酸用量降低了25％，生产周期缩短2h。废酸转晶已具备替代混合溶剂法的条件。     

分子筛固载希夫碱锰配合物催化环己烯环氧化

研究了在Mnsalophen／ZSM-5催化剂的作用下,分子氧环氧化环己烯合成1,2-环氧环己烷的反应。结果表明,利用柔性配体法在ZSM-5型分子筛上固载Mnsalphen配合物,随着反应时间的延长和反应温度的提高,环己烯的转化率逐渐增加;1,2-环氧环己烷的收率为先增加后降低,环氧环己烷的最高收率可达到83．38％;催化剂重复使用3次后,其催化活性仅降低了2％。     

用在线红外研究TADFIW的碱性水解反应

采用在线红外光谱仪对TADFIW的碱性条件水解反应进行了研究.结果表明,TADFIW笼形化合物中六元环上的两个甲酰胺在碱性条件下很容易发生水解反应,在室温下就能够顺利进行;而TADFIW笼形化合物中五元环上的乙酰胺在碱性条件下很难发生水解,即使将温度升高到60℃,反应时间延长到3 h,乙酰胺也不易发生水解反应.TADFIW在碱性条件下只能通过水解反应生成TAIW,进一步水解需要改变反应条件才能进行.     

熔融过冷法结晶粒状TNT工艺研究

采用热水悬浮熔融过冷法结晶粒状TNT工艺,运用热力学和动力学原理分析温度和搅拌速度对结晶过程的影响机理,试验确定了相应的工艺条件,并进行了平行试验.结果表明,该工艺可生产出符合用户要求粒度级配的结晶状TNT产品.与溶剂结晶法相比,具有原材料成本低,无溶剂回收压力,不产生大气污染的优势,有很好的经济社会效益和产业化前景.     

Computational studies on the structure and detonation properties of nitro-substituted triazole-furazan derivatives

Some nitro-substituted triazole-furazan derivatives are considered as potential candidates for high energy density compounds through quantum chemical treatment. Their geometric and electronic structures, band gap, thermodynamic properties and detonation properties were studied using the density functional theory at the B3LYP/6-311+G^** level. The calculated energy of explosion, density, and detonation properties of model compounds were comparable to 1,3,5-trinitro-1,3,5-triazinane (RDX) and 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX). The heats of formation and bond dissociation energy were also analysed to understand the nature of thermal stabilities and the trigger bond in the pyrolysis process.