Acta Chimica Sinica ›› 2000, Vol. 58 ›› Issue (4): 438-442. Previous Articles     Next Articles

Original Articles

化学演讲过程数据的自动分辨: 复杂石油样品的GC-MS分析

沈海林;宋又群;崔卉;梁逸增   

  1. 湖南大学化学化工学院;湖南大学计量学与化学传感技术研究所
  • 发布日期:2000-04-15

Automatic resolution of data from evolutionary process: GC-MS analysis of petroleum sample

Shen Hailin;Song Youqun;Cui Hui;Liang Yizeng   

  • Published:2000-04-15

A new procedure, bsed on several recent chemometric method, is proposed for automatic analysis of data from evolutionary process. It runs in the following steps: first, select key spectra or variables; second, determine the chemical rank of data by subspace coparison; third, iterative into pure spectra and concentration profiles by elementary transform. Criteria, e.g. non-negativity, are used to check the reliability of results. As far as data from GC-MS is concerned, key variables can also he used for analysis besides key spectra. The proposed procedure greatly reduces user intervention and therefore saves analysis time. It promises a powerful tool for the resolution of complex system. There are 557 components resolved from petroleum sample in this paper.

Key words: CHROMATOGRAPHY-MASS SPECTROGRAPHY, PETROLEUM, AUTOMATIC ANALYSIS, STOICHIOMETRY

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