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Title: Waveband selection with equivalent prediction performance for FTIR/ATR spectroscopic analysis of COD in sugar refinery waste water
Authors: Xie, J.
Sun, D.
Cai, J. 
Cai, F.
Keywords: COD
FTIR/ATR spectroscopy
Sugar refinery wastewater
Waveband selection
Issue Date: 2019
Publisher: Tech Science Press
Citation: Xie, J., Sun, D., Cai, J., Cai, F. (2019). Waveband selection with equivalent prediction performance for FTIR/ATR spectroscopic analysis of COD in sugar refinery waste water. Computers, Materials and Continua 59 (2) : 687-695. ScholarBank@NUS Repository.
Rights: Attribution 4.0 International
Abstract: The level of chemical oxygen demand (COD) is an important index to evaluate whether sewage meets the discharge requirements, so corresponding tests should be carried out before discharge. Fourier transform infrared spectroscopy (FTIR) and attenuated total reflectance (ATR) can detect COD in sewage effectively, which has advantages over conventional chemical analysis methods. And the selection of characteristic bands was one of the key links in the application of FTIR/ATR spectroscopy. In this work, based on the moving window partial least-squares (MWPLS) regression to select a characteristic wavelength, a method of equivalent wavelength selection was proposed combining with paired t-test equivalent concept. The results showed that the prediction effect of the selected wavelength was very close to that of the MWPLS method, while the number of wavelength points was much smaller. SEPAve, RP,Ave, SEPStd, and RP,Std which characterized the modeling effect were 26.3 mg L-1, 0.969, 3.49 mg L-1, and 0.006, respectively. The validation effect V-SEP and V-RP were 28.64 mg L-1 and 0.960, respectively.The selected waveband was between 1809 cm-1 and 1568 cm-1. The method was of more reference value for the design of FTIR/ATR spectral instrument for COD detection. Copyright © 2019 Tech Science Press.
Source Title: Computers, Materials and Continua
ISSN: 1546-2218
DOI: 10.32604/cmc.2019.03658
Rights: Attribution 4.0 International
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