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Critical behavior of a water monolayer under hydrophobic confinement
The properties of water can have a strong dependence on the confinement. Here, we consider a water monolayer nanoconfined between hydrophobic parallel walls under conditions that prevent its crystallization. We investigate, by simulations of a many-body coarse-grained water model, how the properties...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3975237/ https://www.ncbi.nlm.nih.gov/pubmed/24699181 http://dx.doi.org/10.1038/srep04440 |
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author | Bianco, Valentino Franzese, Giancarlo |
author_facet | Bianco, Valentino Franzese, Giancarlo |
author_sort | Bianco, Valentino |
collection | PubMed |
description | The properties of water can have a strong dependence on the confinement. Here, we consider a water monolayer nanoconfined between hydrophobic parallel walls under conditions that prevent its crystallization. We investigate, by simulations of a many-body coarse-grained water model, how the properties of the liquid are affected by the confinement. We show, by studying the response functions and the correlation length and by performing finite-size scaling of the appropriate order parameter, that at low temperature the monolayer undergoes a liquid-liquid phase transition ending in a critical point in the universality class of the two-dimensional (2D) Ising model. Surprisingly, by reducing the linear size L of the walls, keeping the walls separation h constant, we find a 2D-3D crossover for the universality class of the liquid-liquid critical point for [Image: see text], i.e. for a monolayer thickness that is small compared to its extension. This result is drastically different from what is reported for simple liquids, where the crossover occurs for [Image: see text], and is consistent with experimental results and atomistic simulations. We shed light on these findings showing that they are a consequence of the strong cooperativity and the low coordination number of the hydrogen bond network that characterizes water. |
format | Online Article Text |
id | pubmed-3975237 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | Nature Publishing Group |
record_format | MEDLINE/PubMed |
spelling | pubmed-39752372014-04-07 Critical behavior of a water monolayer under hydrophobic confinement Bianco, Valentino Franzese, Giancarlo Sci Rep Article The properties of water can have a strong dependence on the confinement. Here, we consider a water monolayer nanoconfined between hydrophobic parallel walls under conditions that prevent its crystallization. We investigate, by simulations of a many-body coarse-grained water model, how the properties of the liquid are affected by the confinement. We show, by studying the response functions and the correlation length and by performing finite-size scaling of the appropriate order parameter, that at low temperature the monolayer undergoes a liquid-liquid phase transition ending in a critical point in the universality class of the two-dimensional (2D) Ising model. Surprisingly, by reducing the linear size L of the walls, keeping the walls separation h constant, we find a 2D-3D crossover for the universality class of the liquid-liquid critical point for [Image: see text], i.e. for a monolayer thickness that is small compared to its extension. This result is drastically different from what is reported for simple liquids, where the crossover occurs for [Image: see text], and is consistent with experimental results and atomistic simulations. We shed light on these findings showing that they are a consequence of the strong cooperativity and the low coordination number of the hydrogen bond network that characterizes water. Nature Publishing Group 2014-04-04 /pmc/articles/PMC3975237/ /pubmed/24699181 http://dx.doi.org/10.1038/srep04440 Text en Copyright © 2014, Macmillan Publishers Limited. All rights reserved http://creativecommons.org/licenses/by/3.0/ This work is licensed under a Creative Commons Attribution 3.0 Unported License. The images in this article are included in the article's Creative Commons license, unless indicated otherwise in the image credit; if the image is not included under the Creative Commons license, users will need to obtain permission from the license holder in order to reproduce the image. To view a copy of this license, visit http://creativecommons.org/licenses/by/3.0/ |
spellingShingle | Article Bianco, Valentino Franzese, Giancarlo Critical behavior of a water monolayer under hydrophobic confinement |
title | Critical behavior of a water monolayer under hydrophobic confinement |
title_full | Critical behavior of a water monolayer under hydrophobic confinement |
title_fullStr | Critical behavior of a water monolayer under hydrophobic confinement |
title_full_unstemmed | Critical behavior of a water monolayer under hydrophobic confinement |
title_short | Critical behavior of a water monolayer under hydrophobic confinement |
title_sort | critical behavior of a water monolayer under hydrophobic confinement |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3975237/ https://www.ncbi.nlm.nih.gov/pubmed/24699181 http://dx.doi.org/10.1038/srep04440 |
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