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Citation: ZHANG Shuli, XIONG Xianfeng, WANG Youbing, WANG Bozhou, GE Zhongxue, LI Hua. Study on Synthetic Reaction Mechanism of Octogen Using Chemometrics and Infrared Spectroscopy[J]. Chinese Journal of Applied Chemistry, ;2012, 29(6): 711-717. doi: 10.3724/SP.J.1095.2012.00323 shu

Study on Synthetic Reaction Mechanism of Octogen Using Chemometrics and Infrared Spectroscopy

1.
a Institute of Chemical and Material Science, Northwest University, Xi'an 710069, China;
2.
b Xi'an Modern Chemistry Research Institute, Xi'an 710065, China

Corresponding author: LI Hua,
Received Date: 21 July 2011
Available Online: 26 September 2011
Fund Project: 国家自然科学基金(21175106)资助项目 (21175106)

Online Infrared spectrum was used for monitoring the reaction process of synthesizing octogen(HMX).The concentration profiles and spectra of reactants,intermediates and product were determined by analyzing the data using chemometric methods of multivariate curve resolution-alternating least squares(MCR-ALS) and heuristic evolving latent projection(HELP),and the reasonable mechanism was induced,which were coincided with literature.The results show that it is an effective means for researching the synthesizing reaction mechanism of octogen by chemometrics and infrared spectroscopy.
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