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Waveband Selection with Equivalent Prediction Performance for FTIR/ATR Spectroscopic Analysis of COD in Sugar Refinery Waste Water

Jun Xie1, Dapeng Sun1, Jiaxiang Cai2, Fuhong Cai1,*

The Mechanical and Electrical Engineering College, Hainan University, Haikou, Hainan, 570228, China.
Department of Industrial Systems Engineering & Management, National University of Singapore, 119077, Singapore.

* Corresponding Author: Fuhong Cai. Email: .

Computers, Materials & Continua 2019, 59(2), 687-695.


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.


Cite This Article

J. Xie, D. Sun, J. Cai and F. Cai, "Waveband selection with equivalent prediction performance for ftir/atr spectroscopic analysis of cod in sugar refinery waste water," Computers, Materials & Continua, vol. 59, no.2, pp. 687–695, 2019.


This work is licensed under a Creative Commons Attribution 4.0 International License , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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