FTIR-PAS coupled to partial least squares for prediction of ash content, volatile matter, fixed carbon and calorific value of coal
[Display omitted] •Prective model for properties of coal using FT-IR PAS and PLS are proposed.•Tests and statistical parameters indicate good performance of the models.•An alternative strategy to determine complexity and selection models is presented. Fourier Transform Infrared Photoacoustic Spectro...
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Veröffentlicht in: | Fuel (Guildford) 2018-08, Vol.226, p.536-544 |
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Format: | Artikel |
Sprache: | eng |
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•Prective model for properties of coal using FT-IR PAS and PLS are proposed.•Tests and statistical parameters indicate good performance of the models.•An alternative strategy to determine complexity and selection models is presented.
Fourier Transform Infrared Photoacoustic Spectroscopy (FT-IR PAS) and multivariate calibration using partial least squares (PLS) has been coupled for the development of predictive models of ash content, volatile matter, fixed carbon and calorific value of coal samples from several mines of Colombia. In the chemometric approach, a novel alternative is proposed to define the complexity and the selection of the models. According to tests and statistical criteria, at a 95% confidence level, the selected models demonstrate their linear character and a true correlation between the reference values and the predicted values. Results provide standard error of cross-validation (SECV) of 1.22 wt%, 0.78 wt%, 1.08 wt% and 0.75 MJ kg−1 predicting ash, volatile matter (VM), fixed carbon (FC) and calorific value, respectively. |
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ISSN: | 0016-2361 1873-7153 |
DOI: | 10.1016/j.fuel.2018.04.040 |