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Article

Multivariate Analysis of Photoacoustic Spectra for the Detection of Short-Chained Hydrocarbon Isotopologues

by 1,2,* and 1
1
Heinrich Blasius Institute of Physical Technologies, Hamburg University of Applied Sciences, Berliner Tor 21, 20099 Hamburg, Germany
2
School of Computing, Engineering and Physical Sciences, University of the West of Scotland, High Street, Paisley PA1 2BE, UK
*
Author to whom correspondence should be addressed.
Academic Editors: Cristina Achim, Ana Bratu and Mioara Bercu
Molecules 2020, 25(9), 2266; https://doi.org/10.3390/molecules25092266
Received: 24 February 2020 / Revised: 1 May 2020 / Accepted: 7 May 2020 / Published: 11 May 2020
(This article belongs to the Special Issue Applications of Photoacoustic Spectroscopy)
We report, to our knowledge, the first optical detection scheme for short-chained hydrocarbon isotopologues. The sensor system is based on photoacoustic spectroscopy (PAS). Two continuous wave, thermoelectrically cooled, distributed feedback interband cascade lasers (DFB-ICLs) with emission wavelengths around 3.33 and 3.38 μm, respectively, served as light sources. The investigations comprised the main stable carbon isotopologues of methane (12CH4, 13CH4), ethane (12CH3-12CH3, 13CH3-12CH3, 13CH3-13CH3), and propane (12CH3-12CH2-12CH3, 13CH3-12CH2-12CH3). They were selected because of their importance for numerous applications from climate and planetary research to natural gas exploration. Multiple measurements of single components in nitrogen and synthetic mixtures were conducted at room temperature and atmospheric pressure. Depending on the investigated hydrocarbon isotopologue, detection limits ranging from 0.043 ppmv to 3.4 ppmv were achieved. For a selective concentration determination, multivariate analysis (MVA) was applied. Partial least-squares regression (PLSR) was used to calculate concentrations from the PA spectra. The implementation of MVA has shown that the PA setup in principle works reliably and that the selective concentration determination of short-chained hydrocarbon isotopologues is possible. View Full-Text
Keywords: multivariate analysis; partial least squares regression; photoacoustic spectroscopy; interband cascade laser; gas sensing; hydrocarbons; isotopologues; methane; ethane; propane multivariate analysis; partial least squares regression; photoacoustic spectroscopy; interband cascade laser; gas sensing; hydrocarbons; isotopologues; methane; ethane; propane
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MDPI and ACS Style

Loh, A.; Wolff, M. Multivariate Analysis of Photoacoustic Spectra for the Detection of Short-Chained Hydrocarbon Isotopologues. Molecules 2020, 25, 2266. https://doi.org/10.3390/molecules25092266

AMA Style

Loh A, Wolff M. Multivariate Analysis of Photoacoustic Spectra for the Detection of Short-Chained Hydrocarbon Isotopologues. Molecules. 2020; 25(9):2266. https://doi.org/10.3390/molecules25092266

Chicago/Turabian Style

Loh, Alain, and Marcus Wolff. 2020. "Multivariate Analysis of Photoacoustic Spectra for the Detection of Short-Chained Hydrocarbon Isotopologues" Molecules 25, no. 9: 2266. https://doi.org/10.3390/molecules25092266

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