硝基胍晶体各向异性热膨胀（英文）  

Anisotropic Thermal Expansion in Nitroguanidine Crystal

作　　者：张浩斌[1] 徐金江[1] 李静猷 刘渝[1] 刘晓峰[1] 孙杰[1] 

机构地区：[1]中国工程物理研究院化工材料研究所,四川绵阳621999

出　　处：《含能材料》2015年第12期1231-1234,共4页Chinese Journal of Energetic Materials

基　　金：National Natural Science Foundations of China(11372292,11472252 and 11402239);Science and Technology Found of CAEP(2013A0203006)

摘　　要：利用原位粉末X射线衍射法和原位红外光谱法研究了硝基胍(NQ)晶体的热膨胀。结果表明,在30~160℃内硝基胍a-、b-、c-轴的平均膨胀系数分别12.9×10^(-6),^(-1) 0.1×10-6℃^(-1) 和145.5×10^(-6)℃^(-1) ,显示NQ晶体热膨胀呈明显各向异性,且b轴呈负膨胀。NQ的各向异性热膨胀由其各向异性分子间作用引起。随温度升高NQ分子间氢键减弱,分子间距离增大,减少了NQ分子沿b轴的空间位阻,从而在分子间作用力下沿b轴收缩,导致了负膨胀。该结果有助于理解炸药分子堆积对其物理性能的影响。The thermal expansion of nitroguanidine （NQ） crystal was investigated by means of in situ powder X-ray diffraction method and in situ FT- IR spectra method. Results show that the average thermal expansion coefficients of the a-, b-, c-axis at 30-160 ℃ for NQ are 12.9×10-6℃-1, -10.1 ×10-6℃-1 and 145.5 ×10-6℃-1 , respectively, revealing that the thermal expansion of NQ is obviously anisotropic and thermal expansion along the b -axis is negative. The anisotropic thermal expansion of NQ is caused by the anisotropic intermolecular interaction. The intermolecular hy- drogen bond decreases with the increase of temperature, and the intermolecular distance increases, and the space hindrance of the molecules along the b axis is reduced, which leads to a negative expansion along the b axis.

关 键 词：硝基胍(NQ) 负膨胀 晶体结构 氢键 

分 类 号：TQ560.1[化学工程—炸药化工]