کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1245882 | 969737 | 2007 | 8 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Classification and pattern recognition of acyclic octenes based on mass spectra Classification and pattern recognition of acyclic octenes based on mass spectra](/preview/png/1245882.png)
Two SIMCA models were developed for the classification of acyclic octene isomers, which only form a fraction of a very complex product mixture obtained, for example, from the transformation of 1-butene. The effects of spectral transformation, namely autocorrelation and logarithmic intensity ratios transforms, and (square-root) scaling of the octane isomers mass-spectral data were investigated. Both the spectral-features preprocessing methods and scaling were found to be vital for an adequate development and improvement of the classification models. The best SIMCA models were successfully applied on gas-chromatography–mass spectroscopy (GC–MS) analysis collected from the dimerization of 1-butene over heterogeneous catalysts in the liquid phase.
Journal: Talanta - Volume 72, Issue 4, 15 June 2007, Pages 1573–1580