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Identification of unknown substances by terahertz spectroscopy and multivariate data analysis

Pohl, Andreas and Deßmann, Nils and Dutzi, Katja and Hübers, Heinz-Wilhelm (2016) Identification of unknown substances by terahertz spectroscopy and multivariate data analysis. Journal of Infrared, Millimeter, and Terahertz Waves, 37 (2). Springer. DOI: 10.1007/s10762-015-0217-x ISBN 1866-6906 ISSN 1866-6892

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Official URL: http://link.springer.com/article/10.1007%2Fs10762-015-0217-x


The identification of various substances by multivariate data analysis of terahertz transmittance spectra is demonstrated. Transmittance spectra were obtained by the use of a Fourier transform infrared spectrometer. By means of principal component analysis and partial least squares regression, the spectral data were analyzed in order to identify substances and mixtures of several substances. With only three principal components, detection and identification of substances are possible with high accuracy. Using these methods, concentration ratios of substances in mixtures of two substances can be determined with an accuracy of 10 %. It is shown that the method is robust against disturbances in the spectra such as standing waves. This is particularly important for practical applications.

Item URL in elib:https://elib.dlr.de/102022/
Document Type:Article
Title:Identification of unknown substances by terahertz spectroscopy and multivariate data analysis
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Pohl, Andreasa.pohl (at) dlr.deUNSPECIFIED
Deßmann, NilsNils.Dessmann (at) dlr.deUNSPECIFIED
Dutzi, Katjakatja.dutzi (at) dlr.deUNSPECIFIED
Hübers, Heinz-WilhelmHeinz-Wilhelm.Huebers (at) dlr.deUNSPECIFIED
Date:February 2016
Journal or Publication Title:Journal of Infrared, Millimeter, and Terahertz Waves
Refereed publication:Yes
Open Access:Yes
Gold Open Access:No
In ISI Web of Science:Yes
DOI :10.1007/s10762-015-0217-x
Keywords:Substance identification Spectroscopy Multivariate data analysis Principal component analysis Partial least squares regression Terahertz
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Transport
HGF - Program Themes:Traffic Management (old)
DLR - Research area:Transport
DLR - Program:V VM - Verkehrsmanagement
DLR - Research theme (Project):V - Optimode (old)
Location: Berlin-Adlershof
Institutes and Institutions:Institute of Optical Sensor Systems
Deposited By: Pohl, Andreas
Deposited On:14 Jan 2016 10:36
Last Modified:06 Sep 2019 15:30

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