关键词: 分析化学, 在线红外光谱, 乌洛托品, 醋酸, 奥克托今

Abstract:

In the process of HMX commercial production, acetic acid is recycled, which may contain impurities such as HNO3 and H2O, so the reaction of acetic acid with hexamine may influence the stability of HMX production process. The online infrared spectrum technology was used to study the reaction of the hexamine and acetic acid system. The results show that, after the hexamine is added in the acetic acid, new N—H bond absorption peaks appear at the range of 2700~2300cm-1, —CO-2 absorption peak appears at 1557cm-1, the hexamine C—N absorption peaks at 671cm-1 and 809cm-1 are shifted, the acetic acid O—H bond absorption peak at 3023cm-1 is shifted. The hexamine reacts with acetic acid to form the salt. The structures of hexamine, acetic acid and the hexamine acetate were optimized by use of Gaussian package. The results show that the hexamine acetate is stable. Gaussian simulation results are consistent with the experimental results.

Key words: analytical chemistry, online infrared spectrum, hexamine, acetic acid, HMX