Fourier Transform Near-Infrared Spectroscopy as a Reliable Method for Quick Real Time Analysis of Complex Samples in Industry
| Autor: | Carlos M. F. S. Pereira, Ana Cristina F.G.A. Vieira, Ana Maria Brites Alves |
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| Rok vydání: | 2013 |
| Předmět: |
Chemistry
General Chemical Engineering Near-infrared spectroscopy Analytical chemistry General Chemistry Industrial and Manufacturing Engineering Cross-validation law.invention symbols.namesake Fourier transform law Partial least squares regression Principal component analysis symbols Calibration Spectroscopy Distillation |
| Zdroj: | Industrial & Engineering Chemistry Research. 52:10873-10879 |
| ISSN: | 1520-5045 0888-5885 |
| DOI: | 10.1021/ie302882g |
| Popis: | Near-infrared spectroscopy (NIRS) in conjunction with multivariate calibration have proved to be adequate techniques to predict water content as well as methanol concentration in a industrial multicomponent mixture. The calibration models were developed using real industrial complex samples of water, methanol, and several other components in variable but lower concentrations such as sulfonic acids, acetone, and methyl cyanide. These samples come from industrial distillation of hydrated methanol. Prior to the establishment of the two calibration models, wavelength selection, original spectral data compression by means of the principal components analysis technique, and preprocessing optimization were performed. Calibration was modeled according to partial least squares (PLS) regression which was developed using the mean centering and the leave-one-out cross validation (LOOCV) method for the optimization of the principal components (PC) number. Both models were developed in the 5369–5153 cm–1 spectral regio... |
| Databáze: | OpenAIRE |
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