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含能材料  2012 

硝基二唑炸药爆炸参数的经验计算(Ⅰ)

DOI: 10.3969/j.issn.1006-9941.2012.05.005

Keywords: 有机化学,高能量密度材料化合物,多硝基咪唑,爆炸参数,经验计算

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Abstract:

以2,4,5-三硝基咪唑(2,4,5-TNI)为“母体”结构单元,用硝基、硝氨基和偶氮基等爆炸基团取代其1位氮上的氢原子获得系列新型多硝基咪唑类炸药分子。运用Brinkley-Wilson(B-W)法则、Rothsteine′s和Kamlet方法等对该类炸药的爆炸参数进行了计算,并与HMX等炸药的爆炸参数进行了比较。结果表明,该类炸药密度大,爆速为7.9~9.2km·s-1,爆压为29.0~42.0GPa,接近RDX甚至HMX,是一类新型高能量密度材料化合物;该类炸药分子中含芳香咪唑环,预计其分子稳定性良好。

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