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A tailored and rapid approach for ozonation catalyst design

Catalytic ozonation is widely employed in advanced wastewater treatment owing to its high mineralization of refractory organics. The key to high mineralization is the compatibility between catalyst formulation and wastewater quality. Machine learning can greatly improve experimental efficiency, whil...

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Autores principales: Li, Min, Fu, Liya, Deng, Liyan, Hu, Yingming, Yuan, Yue, Wu, Changyong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9938169/
https://www.ncbi.nlm.nih.gov/pubmed/36820151
http://dx.doi.org/10.1016/j.ese.2023.100244
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author Li, Min
Fu, Liya
Deng, Liyan
Hu, Yingming
Yuan, Yue
Wu, Changyong
author_facet Li, Min
Fu, Liya
Deng, Liyan
Hu, Yingming
Yuan, Yue
Wu, Changyong
author_sort Li, Min
collection PubMed
description Catalytic ozonation is widely employed in advanced wastewater treatment owing to its high mineralization of refractory organics. The key to high mineralization is the compatibility between catalyst formulation and wastewater quality. Machine learning can greatly improve experimental efficiency, while fluorescence data can provide additional wastewater quality information on the composition and concentration of organics, which is conducive to optimizing catalyst formulation. In this study, machine learning combined with fluorescence spectroscopy was applied to develop ozonation catalysts (Mn/γ-Al(2)O(3) catalyst was used as an example). Based on the data collected from 52 different catalysts, a machine-learning model was established to predict catalyst performance. The correlation coefficient between the experimental and model-predicted values was 0.9659, demonstrating the robustness and good generalization ability of the model. The range of the catalyst formulations was preliminarily screened by fluorescence spectroscopy. When the wastewater was dominated by tryptophan-like and soluble microbial products, the impregnation concentration and time of Mn(NO(3))(2) were less than 0.3 mol L(−1) and 10 h, respectively. Furthermore, the optimized Mn/γ-Al(2)O(3) formulation obtained by the model was impregnation with 0.155 mol L(−1) Mn(NO(3))(2) solution for 8.5 h and calcination at 600 °C for 3.5 h. The model-predicted and experimental values for total organic carbon removal were 54.48% and 53.96%, respectively. Finally, the improved catalytic performance was attributed to the synergistic effect of oxidation (•OH and (1)O(2)) and the Mn/γ-Al(2)O(3) catalyst. This study provides a rapid approach to catalyst design based on the characteristics of wastewater quality using machine learning combined with fluorescence spectroscopy.
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spelling pubmed-99381692023-02-19 A tailored and rapid approach for ozonation catalyst design Li, Min Fu, Liya Deng, Liyan Hu, Yingming Yuan, Yue Wu, Changyong Environ Sci Ecotechnol Original Research Catalytic ozonation is widely employed in advanced wastewater treatment owing to its high mineralization of refractory organics. The key to high mineralization is the compatibility between catalyst formulation and wastewater quality. Machine learning can greatly improve experimental efficiency, while fluorescence data can provide additional wastewater quality information on the composition and concentration of organics, which is conducive to optimizing catalyst formulation. In this study, machine learning combined with fluorescence spectroscopy was applied to develop ozonation catalysts (Mn/γ-Al(2)O(3) catalyst was used as an example). Based on the data collected from 52 different catalysts, a machine-learning model was established to predict catalyst performance. The correlation coefficient between the experimental and model-predicted values was 0.9659, demonstrating the robustness and good generalization ability of the model. The range of the catalyst formulations was preliminarily screened by fluorescence spectroscopy. When the wastewater was dominated by tryptophan-like and soluble microbial products, the impregnation concentration and time of Mn(NO(3))(2) were less than 0.3 mol L(−1) and 10 h, respectively. Furthermore, the optimized Mn/γ-Al(2)O(3) formulation obtained by the model was impregnation with 0.155 mol L(−1) Mn(NO(3))(2) solution for 8.5 h and calcination at 600 °C for 3.5 h. The model-predicted and experimental values for total organic carbon removal were 54.48% and 53.96%, respectively. Finally, the improved catalytic performance was attributed to the synergistic effect of oxidation (•OH and (1)O(2)) and the Mn/γ-Al(2)O(3) catalyst. This study provides a rapid approach to catalyst design based on the characteristics of wastewater quality using machine learning combined with fluorescence spectroscopy. Elsevier 2023-02-04 /pmc/articles/PMC9938169/ /pubmed/36820151 http://dx.doi.org/10.1016/j.ese.2023.100244 Text en © 2023 The Authors https://creativecommons.org/licenses/by-nc-nd/4.0/This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Original Research
Li, Min
Fu, Liya
Deng, Liyan
Hu, Yingming
Yuan, Yue
Wu, Changyong
A tailored and rapid approach for ozonation catalyst design
title A tailored and rapid approach for ozonation catalyst design
title_full A tailored and rapid approach for ozonation catalyst design
title_fullStr A tailored and rapid approach for ozonation catalyst design
title_full_unstemmed A tailored and rapid approach for ozonation catalyst design
title_short A tailored and rapid approach for ozonation catalyst design
title_sort tailored and rapid approach for ozonation catalyst design
topic Original Research
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9938169/
https://www.ncbi.nlm.nih.gov/pubmed/36820151
http://dx.doi.org/10.1016/j.ese.2023.100244
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