Cargando…
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...
Autores principales: | , , |
---|---|
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 |
_version_ | 1785146467746316288 |
---|---|
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. |
format | Online Article Text |
id | pubmed-10636746 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT moghadamrojap novelmachinelearningbasedmethodforestimationofthesurfaceareaofporoussilicaparticles AT shuklachinmaya novelmachinelearningbasedmethodforestimationofthesurfaceareaofporoussilicaparticles AT ranadevivekv novelmachinelearningbasedmethodforestimationofthesurfaceareaofporoussilicaparticles |