Identification of various alcohols by using FT-IR spectra and their principle component analysis

Kaori Sakurai; Tsuyoshi Miura; Yong Liang Liu; Yukihiro Ozaki

doi:10.1117/12.166657

31 January 1994 Identification of various alcohols by using FT-NIR spectra and their principle component analysis

Kaori Sakurai, Tsuyoshi Miura, Yong Liang Liu, Yukihiro Ozaki

Proceedings Volume 2089, 9th International Conference on Fourier Transform Spectroscopy; (1994) https://doi.org/10.1117/12.166657
Event: Fourier Transform Spectroscopy: Ninth International Conference, 1993, Calgary, Canada

Abstract

The present paper demonstrates the potential of FT-NIR spectroscopy combined with principal component analysis in the identification of various alcohols. Twenty alcohols with the number of carbon atoms between 1 and 8 could be correctly identified in the space built by first and second principal factors, based on the Mahalanobis distance and the residual of NIR spectra between the reference sample and unknown samples. Primary, secondary, and tertiary alcohols, except for methanol, showed specific tendency on location in the space. For the primary alcohols the possibility of distinguishing the alcohols with straight carbon chains from those with branched carbon chains was suggested. The loading coefficient spectra showed that the spectral differences dominated by the number of carbon atom were extracted in the first principal component but the second principal factor had to be used for the correct identification and classification on the type of hydrocarbon chains.

Citation Download Citation

Kaori Sakurai, Tsuyoshi Miura, Yong Liang Liu, and Yukihiro Ozaki "Identification of various alcohols by using FT-NIR spectra and their principle component analysis", Proc. SPIE 2089, 9th International Conference on Fourier Transform Spectroscopy, (31 January 1994); https://doi.org/10.1117/12.166657

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