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Interfacial Adhesion between Fatty Acid Collectors and Hydrophilic Surfaces: Implications for Low-Rank Coal Flotation

Fatty acids, which are enriched in vegetable oil, have attracted much attention in low-rank coal flotation because of their unique chemical structure. In this study, density functional theory calculations, molecular dynamics simulations, and atomic force microscopy were employed to investigate the a...

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Detalles Bibliográficos
Autores principales: Xia, Yangchao, Fang, Dan, Qu, Pengcheng, Li, Yonggai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9316144/
https://www.ncbi.nlm.nih.gov/pubmed/35889264
http://dx.doi.org/10.3390/molecules27144392
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author Xia, Yangchao
Fang, Dan
Qu, Pengcheng
Li, Yonggai
author_facet Xia, Yangchao
Fang, Dan
Qu, Pengcheng
Li, Yonggai
author_sort Xia, Yangchao
collection PubMed
description Fatty acids, which are enriched in vegetable oil, have attracted much attention in low-rank coal flotation because of their unique chemical structure. In this study, density functional theory calculations, molecular dynamics simulations, and atomic force microscopy were employed to investigate the adsorption structure and forces between collectors and hydrophilic surfaces. The results show that fatty acids can be easily adsorbed onto surfaces through hydrogen bonds, and can cover the oxygen sites. The existence of hydration film on hydrophilic surfaces prevented nonpolar molecules from being able to adsorb, while polar fatty acids could adsorb and expel water molecules. The adhesion force between the RCOOH-terminated probe and the surface appeared in the retraction process, which differed significantly from that of the RCH(3)-terminated probe, indicating that polar fatty acids are more suitable as flotation collectors for low-rank coal than nonpolar hydrocarbon oil. The simulation and AFM test revealed the mechanisms of polar fatty acids, and can provide guidance for low-rank coal flotation applications.
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spelling pubmed-93161442022-07-27 Interfacial Adhesion between Fatty Acid Collectors and Hydrophilic Surfaces: Implications for Low-Rank Coal Flotation Xia, Yangchao Fang, Dan Qu, Pengcheng Li, Yonggai Molecules Article Fatty acids, which are enriched in vegetable oil, have attracted much attention in low-rank coal flotation because of their unique chemical structure. In this study, density functional theory calculations, molecular dynamics simulations, and atomic force microscopy were employed to investigate the adsorption structure and forces between collectors and hydrophilic surfaces. The results show that fatty acids can be easily adsorbed onto surfaces through hydrogen bonds, and can cover the oxygen sites. The existence of hydration film on hydrophilic surfaces prevented nonpolar molecules from being able to adsorb, while polar fatty acids could adsorb and expel water molecules. The adhesion force between the RCOOH-terminated probe and the surface appeared in the retraction process, which differed significantly from that of the RCH(3)-terminated probe, indicating that polar fatty acids are more suitable as flotation collectors for low-rank coal than nonpolar hydrocarbon oil. The simulation and AFM test revealed the mechanisms of polar fatty acids, and can provide guidance for low-rank coal flotation applications. MDPI 2022-07-08 /pmc/articles/PMC9316144/ /pubmed/35889264 http://dx.doi.org/10.3390/molecules27144392 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Xia, Yangchao
Fang, Dan
Qu, Pengcheng
Li, Yonggai
Interfacial Adhesion between Fatty Acid Collectors and Hydrophilic Surfaces: Implications for Low-Rank Coal Flotation
title Interfacial Adhesion between Fatty Acid Collectors and Hydrophilic Surfaces: Implications for Low-Rank Coal Flotation
title_full Interfacial Adhesion between Fatty Acid Collectors and Hydrophilic Surfaces: Implications for Low-Rank Coal Flotation
title_fullStr Interfacial Adhesion between Fatty Acid Collectors and Hydrophilic Surfaces: Implications for Low-Rank Coal Flotation
title_full_unstemmed Interfacial Adhesion between Fatty Acid Collectors and Hydrophilic Surfaces: Implications for Low-Rank Coal Flotation
title_short Interfacial Adhesion between Fatty Acid Collectors and Hydrophilic Surfaces: Implications for Low-Rank Coal Flotation
title_sort interfacial adhesion between fatty acid collectors and hydrophilic surfaces: implications for low-rank coal flotation
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9316144/
https://www.ncbi.nlm.nih.gov/pubmed/35889264
http://dx.doi.org/10.3390/molecules27144392
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