OSA's Digital Library

Applied Spectroscopy

Applied Spectroscopy

| PUBLISHED BY SAS — AVAILABLE FROM SAS AND OSA

  • Vol. 49, Iss. 4 — Apr. 1, 1995
  • pp: 437–443

Quantitative Gas Analysis with FT-IR: A Method for CO Calibration Using Partial Least-Squares with Linearized Data

Jimmy Bak and Anders Larsen

Applied Spectroscopy, Vol. 49, Issue 4, pp. 437-443 (1995)


View Full Text Article

Acrobat PDF (779 KB)





Browse Journals / Lookup Meetings

Browse by Journal and Year


   


Lookup Conference Papers

Close Browse Journals / Lookup Meetings

Article Tools

Share
Citations
  • Export Citation/Save Click for help

Abstract

Calibration spectra of CO in the 2.38-5100 ppm concentration range (22 spectra) have been measured with a spectral resolution of 4 cm-1, in the mid-IR (2186-2001 cm-1) region, with a Fourier transform infrared (FT-IR) instrument. The multivariate calibration method partial least-squares (PLS1) was used to model the CO calibration spectra in order to improve the sensitivity and to flag possible outliers in the prediction step. The relation between the absorbance values and concentrations was strongly nonlinear. This result was caused mainly by the low spectral resolution of the instrument. To improve the model predictions, we have linearized the data prior to making the model calculations. The linearization scheme presented here simplified the data pretreatment, because the function needed to linearize the data might be approximated by co-absorbance peak areas representing the concentrations. The integrated absorbance areas, rather than the concentration values, were used as input to the PLS algorithm. A fifth-order polynomial was used to calculate the concentrations from the predicted absorbance areas. The PLS algorithm used on the linearized data reduced the number of factors in the calibration model. Our results reveal that the calibration model based on the linearized data had a high concentration prediction accuracy throughout the entire concentration range.

Citation
Jimmy Bak and Anders Larsen, "Quantitative Gas Analysis with FT-IR: A Method for CO Calibration Using Partial Least-Squares with Linearized Data," Appl. Spectrosc. 49, 437-443 (1995)
http://www.opticsinfobase.org/as/abstract.cfm?URI=as-49-4-437


Sort:  Journal  |  Reset

References

References are not available for this paper.

Cited By

OSA is able to provide readers links to articles that cite this paper by participating in CrossRef's Cited-By Linking service. CrossRef includes content from more than 3000 publishers and societies. In addition to listing OSA journal articles that cite this paper, citing articles from other participating publishers will also be listed.

« Previous Article  |  Next Article »

OSA is a member of CrossRef.

CrossCheck Deposited