应用化学2012，Vol.29Issue(6)：711-717,7.DOI:10.3724/SP.J.1095.2012.00323
多元曲线分辨方法和红外光谱用于奥克托今合成机理
Study on Synthetic Reaction Mechanism of Octogen Using Chemometrics and Infrared Spectroscopy
摘要
Abstract
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.关键词
红外光谱/渐进因子分析/多元曲线分辨-交替最小二乘/直观推导式演进特征投影法/反应机理Key words
infrared spectrum,evolving factor analysis,multivariate curve resolution-alternating least squares, heuristic evolving latent projection, reaction mechanism分类
化学化工引用本文复制引用
张淑利,熊贤锋,王友兵,王伯周,葛忠学,李华..多元曲线分辨方法和红外光谱用于奥克托今合成机理[J].应用化学,2012,29(6):711-717,7.基金项目
国家自然科学基金(21175106)资助项目 （21175106）
