Application In The Synthesizing Reaction Mechanism Of Energetic Compounds By MCR Combined With On-line IR

Energetic compounds usually refers to materials containing gunpowder, explosives, some mixture of the oxidant and combustible as well as some of the oxygen and combustible components, It is the power and energy of ammunition completing firing, transportation and explosive destruction as well as fundationn of all kinds of damage in combat arms weapons systems, which has an important role in the development of weapons and equipment Due to smaller size, higher energy which makes it in defense applications and other high-tech fields play an important role. So researching the reaction mechanism of typical nitrogen-containing compounds will have a very important significance. However, the synthetic route of compounds can be optimized with a clear reaction mechanism which can also provide a reference for similar energetic compounds. Becausem most Energetic Compounds subject to excessive or complicated steps to complete the synthesizing process, few of elementary reactions. Hence, only comprehensive understanding of the reaction process will the reasonable and accurate reaction mechanism be possibly infered. While the Online Infrared Spectroscopy provides a means for us to explore the whole process by means of real-time tracking the reaction process, which makes to gain response group scores and other important information on substances in concentrations be possible. As these high-dimensional complex data obtained by Online Infrared need to appropriate chemometric methods of analysis can give qualitative and quantitative information. The combination of these two techniques provides a convenient, fast and effective means for study of complexing Synthesizing Mechanism.There are five parts in this research work.. an overview of application and development of high-nitrogen energetic compounds, infrared spectroscopy and multivariate curve resolution methods of process analysis in recent years. The process analysis of4-amino-3,5-dimethyl-pyrazole,3-amino-4-amino-oxime furazan and3,4-bis (4’-amino-furazan-3’) furazan oxide was discussed by online infrared spectroscopy combined with multivariate curve resolution method Summary some issues of the online infrared spectroscopy in study of reaction kinetics as well as and comparison between two multivariate curve resolution methods1an overview of application and development of high-nitrogen energetic compounds, infrared spectroscopy and multivariate curve resolution methods of process analysis in recent years. 2Study on Synthesizing Mechanism of4-Amino-3,5-dimethyl pyrazole by Using Multivariate Curve Resolution Combined With Online Infrared SpectroscopyThe first time to apply the method of multivariate curve resolution combined with Online Infrared Spectroscopy in studying synthesizing Mechanism of4-Amino-3,5dimethyl pyrazole and The concentration profiles and corresponding infrared spectra of the reactant, intermediates and product are obtained. The reasonable mechanism was induced: first,2,3,4-pentrione-3—oxime react with hydrazine hydrate get an intermediate which obtained4--nitroso-3,5-dimethylpyrazoly by means of an elimination reaction. second,4-nitroso-3,5-dimethylpyrazoly has an interaction with hydrazine hydrate then obtain the final product4-amino-3,5-dimethylpyrazolyl. Then we compare the results from two kinds of multivariate curve resolution method draw the same conclusion that can be verificated mutually. Compared with other traditional methods, the method used in the reaction mechanism of the research shows a unique advantage without isolating intermediates, save a lot of time and solvent but consistent with other methods3Study on Synthesizing Mechanism of3-amino-4-amino-oxime furazan by Using Multivariate Curve Resolution Combined With On-line Infrared SpectroscopyUsing on-line infrared spectroscopy to monitor the reaction process of synthesizing3-amino-4-amino oxime furazan from malononitrile, sodium nitrite and hydroxylamine hydrochloride catalyzed by acetic acid. The concentration profiles and spectra of the reactant, intermediates and product were obtained by analyzing the real-time IR data using chemometric methods such as multiple curve resolution-alternating least squares (MCR-ALS), heuristic evolving latent projections (HELP) and etc. The reasonable mechanism was induced by the same conclusion acquired from comparing MCR-ALS with HELP.4Using Multivariate Curve Resolution and Infrared Spectroscopy for Researching the Synthesizing Reaction Mechanism of3,4-bis (4’-amino-furazan-3’) furazan oxideInfrared spectroscopy is used to on-line monitor the reaction process of synthesizing3-amino-4--amino oxime furazan from Malonate eye, sodium nitrite and hydroxylamine hydrochloride catalyzed by acetic acid.The concentration profiles and spectras of reactants, intermediates and products are determined by analyzing the IR data using chemometric methods multiple curve resolution-alternating least squares (MCR-ALS), and the reasonable mechanism is induced,on the ether hand,we Get a key intermediate3-amino-4oxo-cvano-furazan.