Partial Least Squares Regression analysis of natural gas-like mixtures absorption spectra collected using a mid-infrared supercontinuum broadband source Article Swipe

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zifarelli, Andrea , formica, Paola , Sampaolo Angelo , Wu Hong-Peng , Dong Lei , Spagnolo Vincenzo , Patimisco Pietro ·

YOU? · · 2025 · Open Access · · DOI: https://doi.org/10.6084/m9.figshare.c.7976648.v2

We report on a broadband gas sensor based on direct absorption spectroscopy in the mid-infrared range for the simultaneous detection of methane, ethane, and propane in natural gas-like mixtures. The system employs a broadband supercontinuum light source, coupled with an absorption cell and an optical spectrum analyzer with a resolution of 0.5 cm-1. This configuration enables reconstruction of the full absorption bands of the target alkanes, which exhibit significant spectral overlap in the 2.8-3.2 μm spectral region. A comparative study between multiple linear regression (MLR) and partial least-squares regression (PLSR) was conducted to determine the concentration of each individual component. The results highlight the superior performance of PLSR in the presence of unbalanced concentration ratios (1:10) among the three alkanes, achieving mean prediction accuracy of 98%, 93% and 94% for methane, ethane and propane, respectively.

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Computational Physics

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Supercontinuum Partial least squares regression Broadband Absorption (acoustics) Optics Analytical Chemistry (journal) Materials science Absorption spectroscopy Spectrum analyzer Spectral line Spectroscopy Range (aeronautics) Linear regression Spectral resolution Propane Computational physics Chemistry Wavelength Calibration Resolution (logic) Beer–Lambert law Regression analysis Absorptance Least-squares function approximation Optoelectronics

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Landing Page: https://doi.org/10.6084/m9.figshare.c.7976648.v2
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DOI: https://doi.org/10.6084/m9.figshare.c.7976648.v2

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Title: Partial Least Squares Regression analysis of natural gas-like mixtures absorption spectra collected using a mid-infrared supercontinuum broadband source

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Publication year: 2025

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Authors: zifarelli, Andrea, formica, Paola, Sampaolo Angelo, Wu Hong-Peng, Dong Lei, Spagnolo Vincenzo, Patimisco Pietro

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Concepts: Supercontinuum, Partial least squares regression, Broadband, Absorption (acoustics), Optics, Analytical Chemistry (journal), Materials science, Absorption spectroscopy, Spectrum analyzer, Spectral line, Spectroscopy, Range (aeronautics), Linear regression, Spectral resolution, Propane, Computational physics, Chemistry, Wavelength, Calibration, Resolution (logic), Beer–Lambert law, Regression analysis, Absorptance, Least-squares function approximation, Optoelectronics

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