Estimation of chemical oxygen demand in different water systems by near-infrared spectroscopy

To monitor environmental water pollution effectively and meet human water needs, it is crucial to develop a fast, simple, and accurate method for monitoring chemical oxygen demand (COD) in various water systems. In this study, COD prediction models for different water systems were developed by combi...

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Main Authors: Xueqin Han, Danping Xie, Han Song, Jinfang Ma, Yongxin Zhou, Jiaze Chen, Yanyan Yang, Furong Huang
Format: Article
Language:English
Published: Elsevier 2022-09-01
Series:Ecotoxicology and Environmental Safety
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S0147651322008041
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author Xueqin Han
Danping Xie
Han Song
Jinfang Ma
Yongxin Zhou
Jiaze Chen
Yanyan Yang
Furong Huang
author_facet Xueqin Han
Danping Xie
Han Song
Jinfang Ma
Yongxin Zhou
Jiaze Chen
Yanyan Yang
Furong Huang
author_sort Xueqin Han
collection DOAJ
description To monitor environmental water pollution effectively and meet human water needs, it is crucial to develop a fast, simple, and accurate method for monitoring chemical oxygen demand (COD) in various water systems. In this study, COD prediction models for different water systems were developed by combining near-infrared (NIR) spectroscopy with partial least squares regression (PLSR). Samples of wastewater, surface water, and seawater were collected from Guangzhou, Guangdong Province, China. Three pretreatment methods were used to preprocess the spectra in order to improve the accuracy and minimalism of the model. We investigate the performance of two variable selection algorithms, namely, binary gray wolf optimization (BGWO) and competitive adaptive reweighting sampling (CARS). The results show that both BGWO and CARS improved the performance of the model in terms of higher accuracy and less wavelength input; both of the combined model performances were better than that of PLSR alone, and CARS-PLSR achieved the best results. Using CARS-PLSR, surface water, wastewater, and seawater model inputs were reduced by 96 %, 96 %, and 82 % as compared to the PLSR results, respectively, and the testing sets R2 reached 0.860, 0.815, and 0.692, respectively. The spectral variable selection algorithm could identify the important spectral variables between COD content and NIR spectra in three water systems, thereby improving the accuracy and simplicity of the PLSR model for COD prediction. Our results have important practical value for predicting COD content in different water systems by NIR spectroscopy.
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spelling doaj.art-43944f76d52c48038d9a0006d191a90d2022-12-22T02:59:23ZengElsevierEcotoxicology and Environmental Safety0147-65132022-09-01243113964Estimation of chemical oxygen demand in different water systems by near-infrared spectroscopyXueqin Han0Danping Xie1Han Song2Jinfang Ma3Yongxin Zhou4Jiaze Chen5Yanyan Yang6Furong Huang7Opto-electronic Department of Jinan University, Guangzhou 510632, ChinaSouth China Institute of Environmental Sciences, Ministry of Ecology and Environment, Guangzhou 510655, ChinaOpto-electronic Department of Jinan University, Guangzhou 510632, ChinaOpto-electronic Department of Jinan University, Guangzhou 510632, ChinaOpto-electronic Department of Jinan University, Guangzhou 510632, ChinaOpto-electronic Department of Jinan University, Guangzhou 510632, ChinaSouth China Institute of Environmental Sciences, Ministry of Ecology and Environment, Guangzhou 510655, China; Corresponding authors.Opto-electronic Department of Jinan University, Guangzhou 510632, China; Corresponding authors.To monitor environmental water pollution effectively and meet human water needs, it is crucial to develop a fast, simple, and accurate method for monitoring chemical oxygen demand (COD) in various water systems. In this study, COD prediction models for different water systems were developed by combining near-infrared (NIR) spectroscopy with partial least squares regression (PLSR). Samples of wastewater, surface water, and seawater were collected from Guangzhou, Guangdong Province, China. Three pretreatment methods were used to preprocess the spectra in order to improve the accuracy and minimalism of the model. We investigate the performance of two variable selection algorithms, namely, binary gray wolf optimization (BGWO) and competitive adaptive reweighting sampling (CARS). The results show that both BGWO and CARS improved the performance of the model in terms of higher accuracy and less wavelength input; both of the combined model performances were better than that of PLSR alone, and CARS-PLSR achieved the best results. Using CARS-PLSR, surface water, wastewater, and seawater model inputs were reduced by 96 %, 96 %, and 82 % as compared to the PLSR results, respectively, and the testing sets R2 reached 0.860, 0.815, and 0.692, respectively. The spectral variable selection algorithm could identify the important spectral variables between COD content and NIR spectra in three water systems, thereby improving the accuracy and simplicity of the PLSR model for COD prediction. Our results have important practical value for predicting COD content in different water systems by NIR spectroscopy.http://www.sciencedirect.com/science/article/pii/S0147651322008041Near-infrared spectroscopyWater systemsChemical oxygen demandSpectral variable selection
spellingShingle Xueqin Han
Danping Xie
Han Song
Jinfang Ma
Yongxin Zhou
Jiaze Chen
Yanyan Yang
Furong Huang
Estimation of chemical oxygen demand in different water systems by near-infrared spectroscopy
Ecotoxicology and Environmental Safety
Near-infrared spectroscopy
Water systems
Chemical oxygen demand
Spectral variable selection
title Estimation of chemical oxygen demand in different water systems by near-infrared spectroscopy
title_full Estimation of chemical oxygen demand in different water systems by near-infrared spectroscopy
title_fullStr Estimation of chemical oxygen demand in different water systems by near-infrared spectroscopy
title_full_unstemmed Estimation of chemical oxygen demand in different water systems by near-infrared spectroscopy
title_short Estimation of chemical oxygen demand in different water systems by near-infrared spectroscopy
title_sort estimation of chemical oxygen demand in different water systems by near infrared spectroscopy
topic Near-infrared spectroscopy
Water systems
Chemical oxygen demand
Spectral variable selection
url http://www.sciencedirect.com/science/article/pii/S0147651322008041
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