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The Lattice Model of Particles with Orientation-Dependent Interactions at Solid Surfaces: Wetting Scenarios

Wetting phenomena in a lattice model of particles having two chemically different halves (A and B) and being in contact with solid substrates have been studied with Monte Carlo methods. The energy of the interaction between a pair of neighboring particles has been assumed to depend on the degree to...

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Autor principal: Patrykiejew, Andrzej
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9657306/
https://www.ncbi.nlm.nih.gov/pubmed/36361597
http://dx.doi.org/10.3390/ijms232112802
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author Patrykiejew, Andrzej
author_facet Patrykiejew, Andrzej
author_sort Patrykiejew, Andrzej
collection PubMed
description Wetting phenomena in a lattice model of particles having two chemically different halves (A and B) and being in contact with solid substrates have been studied with Monte Carlo methods. The energy of the interaction between a pair of neighboring particles has been assumed to depend on the degree to which the AA, AB and BB regions face each other. In this work, we have assumed that [Formula: see text] and considered three series of systems with [Formula: see text] , [Formula: see text] and [Formula: see text]. The phase behavior of bulk systems has been determined. In particular, it has been shown that at sufficiently low temperatures the bulk systems order into the superantiferromagnetic (SAF) phase, or into the antiferromagnetic (AF) phase, depending on the magnitudes of AA, AB and BB interaction energies, [Formula: see text] , [Formula: see text] and [Formula: see text]. The SAF structure occurs whenever [Formula: see text] is lower than zero and the AF structure is stable when [Formula: see text] is greater than zero. The wetting behavior has been demonstrated to depend strongly on the structure of the bulk condensed phase, the interactions between fluid particles and the strength of the surface potential. In all series, we have found the dewetting transition, resulting from the limited stability of different ordered structures of surface phases. However, in the systems that exhibit the gas–liquid transition in the bulk, the reentrant wetting transition has been observed at sufficiently high temperatures. The mechanism of dewetting and reentrant wetting transitions has been determined. Moreover, we have also demonstrated, how the dewetting transition in the series with [Formula: see text] is affected by the wall selectivity, i.e., when the interaction between the parts A and B of fluid particles and the solid is different.
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spelling pubmed-96573062022-11-15 The Lattice Model of Particles with Orientation-Dependent Interactions at Solid Surfaces: Wetting Scenarios Patrykiejew, Andrzej Int J Mol Sci Article Wetting phenomena in a lattice model of particles having two chemically different halves (A and B) and being in contact with solid substrates have been studied with Monte Carlo methods. The energy of the interaction between a pair of neighboring particles has been assumed to depend on the degree to which the AA, AB and BB regions face each other. In this work, we have assumed that [Formula: see text] and considered three series of systems with [Formula: see text] , [Formula: see text] and [Formula: see text]. The phase behavior of bulk systems has been determined. In particular, it has been shown that at sufficiently low temperatures the bulk systems order into the superantiferromagnetic (SAF) phase, or into the antiferromagnetic (AF) phase, depending on the magnitudes of AA, AB and BB interaction energies, [Formula: see text] , [Formula: see text] and [Formula: see text]. The SAF structure occurs whenever [Formula: see text] is lower than zero and the AF structure is stable when [Formula: see text] is greater than zero. The wetting behavior has been demonstrated to depend strongly on the structure of the bulk condensed phase, the interactions between fluid particles and the strength of the surface potential. In all series, we have found the dewetting transition, resulting from the limited stability of different ordered structures of surface phases. However, in the systems that exhibit the gas–liquid transition in the bulk, the reentrant wetting transition has been observed at sufficiently high temperatures. The mechanism of dewetting and reentrant wetting transitions has been determined. Moreover, we have also demonstrated, how the dewetting transition in the series with [Formula: see text] is affected by the wall selectivity, i.e., when the interaction between the parts A and B of fluid particles and the solid is different. MDPI 2022-10-24 /pmc/articles/PMC9657306/ /pubmed/36361597 http://dx.doi.org/10.3390/ijms232112802 Text en © 2022 by the author. 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
Patrykiejew, Andrzej
The Lattice Model of Particles with Orientation-Dependent Interactions at Solid Surfaces: Wetting Scenarios
title The Lattice Model of Particles with Orientation-Dependent Interactions at Solid Surfaces: Wetting Scenarios
title_full The Lattice Model of Particles with Orientation-Dependent Interactions at Solid Surfaces: Wetting Scenarios
title_fullStr The Lattice Model of Particles with Orientation-Dependent Interactions at Solid Surfaces: Wetting Scenarios
title_full_unstemmed The Lattice Model of Particles with Orientation-Dependent Interactions at Solid Surfaces: Wetting Scenarios
title_short The Lattice Model of Particles with Orientation-Dependent Interactions at Solid Surfaces: Wetting Scenarios
title_sort lattice model of particles with orientation-dependent interactions at solid surfaces: wetting scenarios
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9657306/
https://www.ncbi.nlm.nih.gov/pubmed/36361597
http://dx.doi.org/10.3390/ijms232112802
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