OSA's Digital Library

Applied Spectroscopy

Applied Spectroscopy

| PUBLISHED BY SAS — AVAILABLE FROM SAS AND OSA

  • Vol. 67, Iss. 8 — Aug. 1, 2013
  • pp: 940–948

In Situ Attenuated Total Reflectance Fourier Transform Infrared (ATR FT-IR) Spectroscopy Monitoring of 1,2-Butylene Oxide Polymerization Reaction by Using Iterative Concentration-Guided Classical Least Squares

Xiaoyun Chen, Randy Pell, Sagar Sarsani, Brian Cramm, Carlos Villa, and Ravindra Dixit

Applied Spectroscopy, Vol. 67, Issue 8, pp. 940-948 (2013)


View Full Text Article

Acrobat PDF (1472 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

There has been rapid growth in the application of in situ optical spectroscopy techniques for reaction and process monitoring recently in both academia and industry. Vibrational spectroscopies such as mid-infrared, near-infrared spectroscopy, and Raman spectroscopy have proven to be versatile and informative. Accurate determination of concentrations, based on highly overlapped spectra, remains a challenge. As an example, 1,2-butylene oxide (BO) polymerization, an important industrial reaction, initiated by propylene glycol (PG) and catalyzed by KOH, is studied in this work in a semi-batch fashion by using in situ attenuated total reflectance Fourier transform infrared spectroscopy (ATR FT-IR) monitoring. The weak BO absorbance, the constantly changing interference from the product oligomers throughout the course of the reaction, and the change in BO spectral features with system polarity posed challenges for quantitative spectral analysis based on conventional methods. An iterative concentration-guided classical least-squares (ICG-CLS) method was developed to overcome these challenges. Taking advantage of the concentration-domain information, ICG-CLS enabled the estimation of the pure oligomer product spectra at different stages of the semi-batch process, which in turn was used to construct valid CLS models. The ICG-CLS algorithm provides an in situ calibration method that can be broadly applied to reactions of known order. Caveats in its applications are also discussed.

Citation
Xiaoyun Chen, Randy Pell, Sagar Sarsani, Brian Cramm, Carlos Villa, and Ravindra Dixit, "In Situ Attenuated Total Reflectance Fourier Transform Infrared (ATR FT-IR) Spectroscopy Monitoring of 1,2-Butylene Oxide Polymerization Reaction by Using Iterative Concentration-Guided Classical Least Squares," Appl. Spectrosc. 67, 940-948 (2013)
http://www.opticsinfobase.org/as/abstract.cfm?URI=as-67-8-940


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