Multivariate analysis of photoacoustic spectra for the detection of short-chained hydrocarbon isotopologues

Alain Loh*, Marcus Wolff

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)
59 Downloads (Pure)


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.

Original languageEnglish
Article number2266
Number of pages18
Issue number9
Publication statusPublished - 11 May 2020


  • Ethane
  • Gas sensing
  • Hydrocarbons
  • Interband cascade laser
  • Isotopologues
  • Methane
  • Multivariate analysis
  • Partial least squares regression
  • Photoacoustic spectroscopy
  • Propane


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