摘要
为了探索烟火药剂中常用氧化剂的太赫兹谱,利用量子化学模拟计算烟火药剂中常用氧化剂氯酸钾、高氯酸钾和硝酸钾的太赫兹频率吸收范围和特征吸收峰.并用太赫兹时域光谱系统实际测量得到了这些氧化剂以及含高氯酸钾烟火药剂在0.2～2.5THz频谱范围内的吸收光谱峰值位置.氯酸钾在0.2～2.5THz波段的特征吸收峰为2.4THz,纯高氯酸钾和含高氯酸钾混合烟火药剂都在2.0THz和2.2THz处分别具有明显的特征吸收峰,硝酸钾的特征吸收峰位于1.8THz和2.3THz处.理论计算与实验测量结果对比表明,三种氧化剂在0.2～2.5THz波段的特征吸收峰有较好的一致性.
The absorption spectra of pyrotechnics oxidants of KClO3, KClO4 and KNO3, in the frequency range between 0.2 and 2.5 THz, are calculated using quantum chemistry method. The experimental result obtained from THz time-domain spectroscopy system gives the detailed localities of the characteristic peaks of concerned oxidants. The experiment also provides the absorption spectrum of pyrotechnics which contains KClO3 between 0.2 and 2.5 THz. The characteristic peak of KClO3 is located at 2.4 THz. The characteristic peaks of both KClO4 and pyrotechnics which contain KClO4 are located at 2.0 and 2. 2 THz. The characteristic peaks of KNO3 are located at 1.8 and 2.3 THz. Compared with experiment results, all the evidences indicate that KClO3, KClO4 and KNO3 have distinct characteristic spectroscopic peaks, which agree with the results of analog calculation.
出处
《北京理工大学学报》
EI
CAS
CSCD
北大核心
2011年第11期1370-1374,共5页
Transactions of Beijing Institute of Technology
基金
爆炸科学与技术国家重点实验室(北京理工大学)开放课题(YBKT11-02)
国家科技支撑计划课题(2008BAK40B02)
