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含能材料  2012 

甲基硝基胍-硝酸肼低共熔物结构及分子间作用

DOI: 10.3969/j.issn.1006-9941.2012.05.009

Keywords: 物理化学,甲基硝基胍,低共熔物,结晶

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Abstract:

通过差示扫描量热仪、光学显微镜、X-射线衍射仪以及密度泛函理论研究了不同摩尔比的甲基硝基胍与硝酸肼二元低共熔物的熔点、冷却结晶形貌、晶体结构和分子间相互作用。研究发现甲基硝基胍与硝酸肼的摩尔比为32时制得的共熔物熔点最低,为67.06℃,冷却凝固后出现了既不同于硝酸肼也不同于甲基硝基胍的棒状结晶,且此配比下的共熔物形貌较均匀。量子化学计算结果表明甲基硝基胍与硝酸肼低共熔物不是简单的机械混合物,分子间存在相互作用力。

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