Measurement of COD for Sugar Refinery Wastewater Using FTIR/ATR Spectroscopy with Stability

2012 ◽  
Vol 482-484 ◽  
pp. 2307-2310
Author(s):  
Tao Pan ◽  
Peng Zhao Li ◽  
Jun Xie
Keyword(s):  
Oxygen Demand ◽  
Total Reflection ◽  
Attenuated Total Reflection ◽  
Good Prediction ◽  
Pls Regression ◽  
Refinery Wastewater ◽  
Sugar Refinery ◽  
Validation Set ◽  
Atr Spectroscopy

Fourier transform infrared spectroscopy (FTIR) and attenuated total reflection (ATR) technology combined with the partial least squares (PLS) regression were successfully applied for the rapid no-reagent determination of chemical oxygen demand (COD) for sugar refinery wastewater. Among 105 samples, 45 samples were randomly selected as the validation set. The remaining 60 samples were divided into the calibration set (40 samples) and the prediction set (20 samples) for a total of 30 times with certain similarities. The appropriate model with stability was established on the waveband of 4500 cm-1 to 600 cm-1. The optimal PLS factor was 4, the modeling effect M-SEPAve, M-RP,Ave, M-SEPStd, and M-RP,Std were 38.1 mg/L, 0.944, 3.2 mg/L, and 0.013, respectively, the validation effect V-SEP and V-RP were 38.2 mg/L and 0.949, respectively, which has good prediction effect and stability. The results provide a reliable analytical model for the monitoring of COD in sugar refinery wastewater.

Waveband Selection with Stability for FTIR/ATR Spectroscopic Analysis of COD in Sugar Refinery Wastewater

2012 ◽  
Vol 562-564 ◽  
pp. 220-223
Author(s):  
Tao Pan ◽  
Peng Zhao Li
Keyword(s):  
Spectroscopic Analysis ◽  
Oxygen Demand ◽  
Total Reflection ◽  
Attenuated Total Reflection ◽  
Good Prediction ◽  
Moving Window ◽  
Refinery Wastewater ◽  
Modeling Process ◽  
Sugar Refinery

Fourier transform infrared spectroscopy (FTIR) and attenuated total reflection (ATR) technology were successfully applied for the rapid no-reagent determination of chemical oxygen demand (COD) in sugar refinery wastewater. An appropriate waveband with stability was selected by the moving window partial least-squares (MWPLS) regression through a rigorous modeling process. The selected waveband was 3198 cm-1 to 2376 cm-1, the corresponding PLS factor was 5. The modeling effect M-SEPAve, M-RP,Ave, M-SEPStd, and M-RP,Std were 31.5 mg/L, 0.962, 3.9 mg/L, and 0.012, respectively. The validation effect V-SEP and V-RP were 31.9 mg/L and 0.965, respectively. It indicated that the method has good prediction effect and stability, and provided valuable references for designing specialized spectroscopic instruments.

Rapid Determination of Chemical Oxygen Demand in Sugar Refinery Wastewater by Short-Wave Near-Infrared Spectroscopy

2012 ◽  
Vol 549 ◽  
pp. 167-171 ◽  
Author(s):  
Tao Pan ◽  
Zeng Hai Chen
Keyword(s):  
Chemical Oxygen Demand ◽  
Near Infrared ◽  
Rapid Determination ◽  
Oxygen Demand ◽  
Short Wave ◽  
Good Prediction ◽  
Refinery Wastewater ◽  
Analysis Model ◽  
Sugar Refinery

Near-infrared (NIR) spectroscopy combined with partial least squares (PLS) regression and Savitzky-Golay (SG) smoothing was successfully applied for the rapid no-reagent determination of chemical oxygen demand (COD) in sugar refinery wastewater. Among 141 samples, 60 were randomly selected as the validation set. The remaining 81 samples were divided into the calibration set (50 samples) and the prediction set (31 samples) for a total of 20 times with certain similarities. The results showed that the short-wave NIR region (780 nm to 1100 nm) can be used as information waveband of COD in sugar refinery wastewater. The optimal SG smoothing parameters and PLS factors OD, DP, NSP, and F were 5, 5, 7, and 6, respectively. The modeling effects M-SEPAve, M-RP,Ave, M-SEPStd, and M-RP,Stdwere 24.3 mg/L, 0.971, 2.7 mg/L, and 0.007, respectively. The validation effects V-SEP and V-RP were 25.9 mg/L and 0.963, respectively. The results indicated that the method has good prediction effect and stability, and provided a reliable analysis model and valuable references for designing specialized instruments.

FTIR/ATR Spectroscopy Applied to the Rapid Determination of Chemical Oxygen Demand of Wastewater

2012 ◽  
Vol 500 ◽  
pp. 820-825 ◽  
Author(s):  
Tao Pan ◽  
Qiang Ji ◽  
Jie Mei Chen ◽  
Hua Zhou Chen
Keyword(s):  
Chemical Oxygen Demand ◽  
Mean Squared Error ◽  
Rapid Determination ◽  
Signal To Noise Ratio ◽  
Oxygen Demand ◽  
Attenuated Total Reflection ◽  
Optimal Model ◽  
Squared Error ◽  
Atr Spectroscopy

A directly rapid quantification method for chemical oxygen demand (COD) of wastewater was established by Fourier transform infrared (FTIR) spectroscopy combined with attenuated total reflection (ATR) technology and moving window partial least squares (MWPLS) method with changeable parameters. All samples were firstly divided into the calibration set and the prediction set. And then according to the predicion effect, the optimal model was selected, and the corresponding waveband, number of adopted wavenumbers, PLS factor, root mean squared error of predication (RMSEP), correlation coefficient of predication (RP) were 3152-1109 cm-1, 1060, 8, 21.5 mg/L, and 0.981 respectively, which was obviously superior to the optimal PLS model on the whole spectral collecting region. The result shows that FTIR/ATR spectroscopy can be applied to the rapid determination of COD of wastewater, and the waveband selected by MWPLS method with changeable parameters has higher signal to noise ratio, which can effectively improve the precision of the predictive model.

FTIR/ATR Spectroscopy with Stability for Determination of HGB in Human Whole Blood

2012 ◽  
Vol 468-471 ◽  
pp. 1663-1666
Author(s):  
Tao Pan ◽  
Wen Jie Huang ◽  
Hao Yin
Keyword(s):  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
Whole Blood ◽  
Total Reflection ◽  
Attenuated Total Reflection ◽  
Human Whole Blood ◽  
Reliable Model ◽  
Smoothing Parameters ◽  
Atr Spectroscopy

Fourier transform infrared spectroscopy (FTIR) and attenuated total reflection (ATR) combined with partial least-squares (PLS) and Savitzky-Golay (SG) smoothing were successfully applied for rapid no-reagent determination of hemoglobin (HGB) in human whole blood. The optimal SG smoothing parameters OD, DP, NSP and PLS factor were 1, 2, 49 and 14, respectively. The modeling effect M-SEPAve, M-RP,Ave, M-SEPStd, and M-RP,Std were 6.73g/L, 0.850, 0.306g/L, and 0.015, respectively. The validation effect V-SEP and V-RP were 6.83g/L and 0.864, respectively. The method provided a reliable model with stability for clinic application of FTIR/ATR.

Waveband Selection for FTIR/ATR Spectroscopy Analysis of Total Cholesterol in Human Serum

2012 ◽  
Vol 566 ◽  
pp. 712-715
Author(s):  
Jun Xie ◽  
Tao Pan
Keyword(s):  
Human Serum ◽  
Total Cholesterol ◽  
Total Reflection ◽  
Attenuated Total Reflection ◽  
Good Prediction ◽  
Moving Window ◽  
Spectroscopy Analysis ◽  
Modeling Process ◽  
Selection For ◽  
Atr Spectroscopy

Fourier transform infrared (FTIR) spectroscopy and attenuated total reflection (ATR) technology were successfully applied for the analysis of total cholesterol (TC) in human serum. An appropriate waveband with stability was selected by the moving window partial least-squares (MWPLS) regression through a rigorous modeling process. The selected waveband was 3065 cm-1 to 945 cm-1, the corresponding PLS factor was 15. The modeling effect M-SEPAve, M-SEPStd, M-RP,Ave, and M-RP,Std were 0.408 mmol/L, 0.068 mmol/L, 0.949, and 0.022, respectively. V-SEP and V-RP, were 0.419 mmol /L and 0.932, respectively. It indicated that the method has good prediction effect and stability, and provided valuable references for designing specialized spectroscopic instruments.

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