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Adsorption in Mixtures with Competing Interactions

A binary mixture of oppositely charged particles with additional short-range attraction between like particles and short-range repulsion between different ones in the neighborhood of a substrate preferentially adsorbing the first component is studied by molecular dynamics simulations. The studied th...

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Detalles Bibliográficos
Autores principales: Litniewski, Marek, Ciach, Alina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8347297/
https://www.ncbi.nlm.nih.gov/pubmed/34361684
http://dx.doi.org/10.3390/molecules26154532
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author Litniewski, Marek
Ciach, Alina
author_facet Litniewski, Marek
Ciach, Alina
author_sort Litniewski, Marek
collection PubMed
description A binary mixture of oppositely charged particles with additional short-range attraction between like particles and short-range repulsion between different ones in the neighborhood of a substrate preferentially adsorbing the first component is studied by molecular dynamics simulations. The studied thermodynamic states correspond to an approach to the gas–crystal coexistence. Dependence of the near-surface structure, adsorption and selective adsorption on the strength of the wall–particle interactions and the gas density is determined. We find that alternating layers or bilayers of particles of the two components are formed, but the number of the adsorbed layers, their orientation and the ordered patterns formed inside these layers could be quite different for different substrates and gas density. Different structures are associated with different numbers of adsorbed layers, and for strong attraction the thickness of the adsorbed film can be as large as seven particle diameters. In all cases, similar amount of particles of the two components is adsorbed, because of the long-range attraction between different particles.
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spelling pubmed-83472972021-08-08 Adsorption in Mixtures with Competing Interactions Litniewski, Marek Ciach, Alina Molecules Article A binary mixture of oppositely charged particles with additional short-range attraction between like particles and short-range repulsion between different ones in the neighborhood of a substrate preferentially adsorbing the first component is studied by molecular dynamics simulations. The studied thermodynamic states correspond to an approach to the gas–crystal coexistence. Dependence of the near-surface structure, adsorption and selective adsorption on the strength of the wall–particle interactions and the gas density is determined. We find that alternating layers or bilayers of particles of the two components are formed, but the number of the adsorbed layers, their orientation and the ordered patterns formed inside these layers could be quite different for different substrates and gas density. Different structures are associated with different numbers of adsorbed layers, and for strong attraction the thickness of the adsorbed film can be as large as seven particle diameters. In all cases, similar amount of particles of the two components is adsorbed, because of the long-range attraction between different particles. MDPI 2021-07-27 /pmc/articles/PMC8347297/ /pubmed/34361684 http://dx.doi.org/10.3390/molecules26154532 Text en © 2021 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
Litniewski, Marek
Ciach, Alina
Adsorption in Mixtures with Competing Interactions
title Adsorption in Mixtures with Competing Interactions
title_full Adsorption in Mixtures with Competing Interactions
title_fullStr Adsorption in Mixtures with Competing Interactions
title_full_unstemmed Adsorption in Mixtures with Competing Interactions
title_short Adsorption in Mixtures with Competing Interactions
title_sort adsorption in mixtures with competing interactions
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8347297/
https://www.ncbi.nlm.nih.gov/pubmed/34361684
http://dx.doi.org/10.3390/molecules26154532
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