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Novel Machine Learning-Based Method for Estimation of the Surface Area of Porous Silica Particles

[Image: see text] This work reports a novel and quick method to estimate the surface area of porous materials. Conventionally, surface area measurement requires the BET method/N(2) adsorption experiment which is time-consuming. In this work, we developed a method based on machine learning (ML) and t...

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Autores principales: Moghadam, Roja P., Shukla, Chinmay A., Ranade, Vivek V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10636746/
https://www.ncbi.nlm.nih.gov/pubmed/37969176
http://dx.doi.org/10.1021/acs.iecr.3c02785
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author Moghadam, Roja P.
Shukla, Chinmay A.
Ranade, Vivek V.
author_facet Moghadam, Roja P.
Shukla, Chinmay A.
Ranade, Vivek V.
author_sort Moghadam, Roja P.
collection PubMed
description [Image: see text] This work reports a novel and quick method to estimate the surface area of porous materials. Conventionally, surface area measurement requires the BET method/N(2) adsorption experiment which is time-consuming. In this work, we developed a method based on machine learning (ML) and the adsorption of a conductive dye on porous materials. The rate and quantity of dye adsorption, which is characterized by dynamic measurement of conductivity, provide an indirect measure of surface area and zeta potential. An ML-based soft sensor is developed to relate the measured conductivity profiles with surface area and zeta potential. A phenomenological model on dye adsorption is also developed, validated, and used to augment experimental data for training the soft sensor. The developed method was tested for porous silica particles with a range of surface areas (250–1100 m(2)/g) and zeta potential (−17 mV: −29 mV). The developed soft sensor was able to estimate the surface area and zeta potential quite well. The developed approach and method reduce overall measurement time for surface area from several hours to a few minutes. The method can potentially be implemented in continuous plants producing porous materials like silica.
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spelling pubmed-106367462023-11-15 Novel Machine Learning-Based Method for Estimation of the Surface Area of Porous Silica Particles Moghadam, Roja P. Shukla, Chinmay A. Ranade, Vivek V. Ind Eng Chem Res [Image: see text] This work reports a novel and quick method to estimate the surface area of porous materials. Conventionally, surface area measurement requires the BET method/N(2) adsorption experiment which is time-consuming. In this work, we developed a method based on machine learning (ML) and the adsorption of a conductive dye on porous materials. The rate and quantity of dye adsorption, which is characterized by dynamic measurement of conductivity, provide an indirect measure of surface area and zeta potential. An ML-based soft sensor is developed to relate the measured conductivity profiles with surface area and zeta potential. A phenomenological model on dye adsorption is also developed, validated, and used to augment experimental data for training the soft sensor. The developed method was tested for porous silica particles with a range of surface areas (250–1100 m(2)/g) and zeta potential (−17 mV: −29 mV). The developed soft sensor was able to estimate the surface area and zeta potential quite well. The developed approach and method reduce overall measurement time for surface area from several hours to a few minutes. The method can potentially be implemented in continuous plants producing porous materials like silica. American Chemical Society 2023-10-27 /pmc/articles/PMC10636746/ /pubmed/37969176 http://dx.doi.org/10.1021/acs.iecr.3c02785 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Moghadam, Roja P.
Shukla, Chinmay A.
Ranade, Vivek V.
Novel Machine Learning-Based Method for Estimation of the Surface Area of Porous Silica Particles
title Novel Machine Learning-Based Method for Estimation of the Surface Area of Porous Silica Particles
title_full Novel Machine Learning-Based Method for Estimation of the Surface Area of Porous Silica Particles
title_fullStr Novel Machine Learning-Based Method for Estimation of the Surface Area of Porous Silica Particles
title_full_unstemmed Novel Machine Learning-Based Method for Estimation of the Surface Area of Porous Silica Particles
title_short Novel Machine Learning-Based Method for Estimation of the Surface Area of Porous Silica Particles
title_sort novel machine learning-based method for estimation of the surface area of porous silica particles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10636746/
https://www.ncbi.nlm.nih.gov/pubmed/37969176
http://dx.doi.org/10.1021/acs.iecr.3c02785
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