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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...

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Autores principales: Bianco, Valentino, Franzese, Giancarlo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2014
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.
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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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