化学学报 ›› 1997, Vol. 55 ›› Issue (12): 1207-1213. 上一篇    下一篇

研究论文

一种新的目标转换因子分析算法用于混合物红外光谱中纯组分光谱的解析

何锡文;曲加新;王永泰;杨万龙   

  1. 南开大学化学系中心实验室;军事医学科学院四所
  • 出版日期:1997-12-15 发布日期:1997-12-15

A new target transformation factor analysis method applied to resolute pure component IR spectra from unknown mixture system

HE XIWEN;QU JIAXIN;WANG YONGTAI;YANG WANLONG   

  • Online:1997-12-15 Published:1997-12-15

本文针对运用目标转换因子分析从混合物红外光谱中解析出纯组分光谱的有关限制,进行了有效的改进。把抽象正交特征光谱与以单一向量为初始向量的目标转换因子分析相结合,提出了一种新的算法,结果令人满意。

关键词: 甲苯, 混合物, 同系物, 红外光谱学, 解析, 算法, 化学计量学, 向量, 因子分析, 二甲苯 P

In this paper, some restrictions of target transformation factor analysis (TTFA) method applied to resolute pure component IR spectra from unknown multicomponent mixture system are reformed. Combining abstract eigen spectra with TTFA single vectors are used as original vectors, a new method is developed and the result obtained is satisfactory.

Key words: METHYLBENZENE, MIXTURES, HOMOLOG, INFRARED SPECTROSCOPY, ANALYTIC, ALGORITHM, STOICHIOMETRY, VECTOR, FACTOR ANALYSIS, DIMETHYLBENZENE P

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