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.

Model Optimization and Stability of Hemoglobin Analysis in Human Soluble Blood Samples by FTIR/ATR Spectroscopy

2011 ◽  
Vol 55-57 ◽  
pp. 1168-1171
Author(s):  
Tao Pan ◽  
Ai Hong Peng ◽  
Wen Jie Huang
Keyword(s):  
Signal To Noise Ratio ◽  
Attenuated Total Reflection ◽  
Partial Least Square ◽  
Least Square ◽  
Model Optimization ◽  
Optimal Model ◽  
Blood Samples ◽  
Quantification Method ◽  
Atr Spectroscopy ◽  
Pls Method

Using Fourier transform infrared spectroscopy (FTIR), attenuated total reflection (ATR) technology and partial least square (PLS) method, the rapid quantification method of hemoglobin (HGB) in human soluble blood samples was established. Based on the distribution of samples’ HGB chemical value and absorbance on 1543 cm-1 which had the highest signal to noise ratio for HGB, all samples were divided into calibration set and prediction set for 50 times. PLS models were established for all divisions, based on the average data RMSEPAve, the stable optimal model was selected, the corresponding PLS factor, RMSEPAve and RP,Ave were 2, 6.81 g/L and 0.943 respectively.

FTIR/ATR Spectroscopy Analysis of COD in Wastewater Based on Combination Optimization of SG Smoothing Modes and PLS Factor

2011 ◽  
Vol 474-476 ◽  
pp. 1797-1801
Author(s):  
Tao Pan ◽  
Qiang Ji ◽  
Yun Han ◽  
Peng Zhao Li
Keyword(s):  
Mean Squared Error ◽  
Oxygen Demand ◽  
Attenuated Total Reflection ◽  
Model Optimization ◽  
Combination Optimization ◽  
Quantitative Analysis Method ◽  
Smoothing Parameters ◽  
Atr Spectroscopy ◽  
Combination Selection ◽  
Selection Of

A directly rapid quantitative analysis method for chemical oxygen demand (COD) of wastewater was established by Fourier transform infrared (FTIR) spectroscopy and attenuated total reflection (ATR) technology. The combination selection of Savitzky-Golay (SG) smoothing modes combined with partial least squares (PLS) factor was applied to the model optimization here. The optimal smoothing parameters were 2ndorder derivative smoothing, 6thdegree polynomial and 51 smoothing points. The corresponding optimal PLS factor, root mean squared error of predication (RMSEP) and correlation coefficient of predication (RP) were 11, 24.4 (mg/L) and 0.968 respectively, which was obviously superior to the direct PLS model without SG smoothing. This demonstrated that the combination selection of SG smoothing parameters and PLS factor can be effectively applied to the model optimization for FTIR/ATR analysis of COD in wastewater.

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.

A rapid determination method for chemical oxygen demand in aquaculture wastewater using the ultraviolet absorbance spectrum and chemometrics

2014 ◽  
Vol 6 (11) ◽  
pp. 3799-3803 ◽  
Author(s):  
Hong Cao ◽  
Wentai Qu ◽  
Xianglong Yang
Keyword(s):  
Chemical Oxygen Demand ◽  
Rapid Determination ◽  
Oxygen Demand ◽  
Uv Absorbance ◽  
Determination Method ◽  
Absorbance Spectrum ◽  
Fast Determination ◽  
Ultraviolet Absorbance ◽  
Aquaculture Wastewater

The ultraviolet (UV) absorbance spectrum was studied for the fast determination of chemical oxygen demand (COD) in aquaculture wastewater.

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