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完全未知混合体系的纯物种光谱辨析
引用本文:梁逸曾,谢玉珑,俞汝勤.完全未知混合体系的纯物种光谱辨析[J].化学学报,1999,57(4):394-399.
作者姓名:梁逸曾  谢玉珑  俞汝勤
作者单位:湖南大学化学化工系.长沙(410082)
摘    要:基于因子分析的迭代目标转换算法,本文提出一种从完全未知混合物体系中获取纯物种光谱的解析方法。该法简单明了,不增加任何困难即可拓广至含n组份的混合体系,对光谱峰形状亦无任何附加限制要求。先采用计算机模拟技术对该法进行了校验,继用于紫外可见与荧光光谱的实际混合体系的解析,均获满意结果。

关 键 词:光谱法  解析  混合物  迭代目标转换  因子分析  计算机模拟  荧光分光光度法  紫外  

Advanced algorithm for determining component spectra from a set of unknown multicomponent mixture spectra
Liang Yizeng,Xie Yulong,Yu Ruqin.Advanced algorithm for determining component spectra from a set of unknown multicomponent mixture spectra[J].Acta Chimica Sinica,1999,57(4):394-399.
Authors:Liang Yizeng  Xie Yulong  Yu Ruqin
Institution:Hunan Univ, Dept Chem & Chem Engn.Changsha(410082)
Abstract:Based on the iterative target transformation of factor analysis a new algorithm for estimating the component spectra from multicomponent mixture system is developed in this paper. The method is simple and clear, and no additional restriction upon the shapes of the component spectra is necessary. The method can also be extended to the spectra resolution of n-component mixture systems without any additional difficulty. The computer simulation technique was first used to verify the algorithm, and then the practical data collected from UV spectrophotometer and fluorescence spectroscopy were also analyzed by the proposed method. Satisfactory results were obtained.
Keywords:SPECTROMETRY  ANALYTIC  MIXTURES  FACTOR ANALYSIS  COMPUTERIZED SIMULATION  FLUOROSPECTROPHOTOMETRY  UV- DETECTOR
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