聚合氮的超高压制备及性能计算  

Preparation and Performance Calculation of Polymeric Nitrogen under Ultra-high Pressure

作　　者：苏海鹏[1] 刘影 贾雅婷 丁可伟[1,2] 尉涛 刘浩然[3] 葛忠学 SU Hai-peng;LIU Ying;JIA Ya-ting;DING Ke-wei;YU Tao;LIU Hao-ran;GE Zhong-xue(Xi'an Modern Chemistry Research Institute,Xi'an 710065,China;State Key Laboratory of Fluorine&Nitrogen Chemicals,Xi'an 710065,China;China International Engineering Consulting Corporation,Beijing 100048,China)

机构地区：[1]西安近代化学研究所,陕西西安710065 [2]氟氮化工资源高效开发与利用国家重点实验室,陕西西安710065 [3]中国国际工程咨询有限公司,北京100048

出　　处：《火炸药学报》2022年第5期666-670,共5页Chinese Journal of Explosives & Propellants

基　　金：国家自然科学基金(No.11904281)。

摘　　要：为了阐明聚合氮的形成、分解及性能,利用金刚石对顶砧研究了氮气的高压相变行为,在高温高压条件下制备了立方偏转聚合氮(cg-N),完成了结构表征及卸压研究,计算了cg-N在不同压力下的能量性能。结果表明,氮气在升压过程经历了5个相态4个相变点,分别是β-N_(2)相、δ-N_(2)相、ε-N_(2)相、ζ-N_(2)相和η-N_(2)相;其中η-N_(2)相为cg-N的前体,在131.6GPa对其进行激光加热得到了cg-N;cg-N卸压过程中发生了1次相变,其分解压力为33.8GPa;cg-N的晶体结构属于I 213点群,0GPa下的理论密度高达3.398g/cm^(3),爆热为9.58kJ/g,爆速为16.43km/s、爆压为176.45GPa。In order to clarify the formation,decomposition and properties of polymeric nitrogen,the phase transformation behavior of nitrogen under high pressure was studied using diamond anvil,and the cubic gauche polymeric nitrogen(cg-N)was prepared and characterized.The pressure relief study of cg-N was further carried out and the energy properties under different pressures were calculated.The results show that nitrogen has experienced five phase states,which areβ-N_(2) phase,δ-N_(2) phase,ε-N_(2) phase,ζ-N_(2) phase andη-N_(2) phase,and four phase transition points in the process of increasing pressure.Theη-N_(2) phase is precursor of the cg-N,and the cg-N is obtained by laser heating at 131.6GPa.The cg-N undergoes one phase transition in the pressure relief process and its decomposition pressure is 33.8GPa.The crystal structure of the cg-N belongs to I 213 point group.The density,detonation heat,detonation velocity and detonation pressure of the cg-N at 0GPa are 3.398g/cm^(3),9.58kJ/g,16.43km/s and 176.45GPa,respectively.

关 键 词：聚合氮 全氮材料 高能量密度材料 HEDMs 立方偏转结构 超高压制备 拉曼光谱 爆轰性能 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] O62[理学—有机化学]