Cargando…

From Critical Point to Critical Point: The Two-States Model Describes Liquid Water Self-Diffusion from 623 to 126 K

Liquid’s behaviour, when close to critical points, is of extreme importance both for fundamental research and industrial applications. A detailed knowledge of the structural–dynamical correlations in their proximity is still today a target to reach. Liquid water anomalies are ascribed to the presenc...

Descripción completa

Detalles Bibliográficos
Autores principales: Corsaro, Carmelo, Fazio, Enza
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8512083/
https://www.ncbi.nlm.nih.gov/pubmed/34641442
http://dx.doi.org/10.3390/molecules26195899
_version_ 1784582905306021888
author Corsaro, Carmelo
Fazio, Enza
author_facet Corsaro, Carmelo
Fazio, Enza
author_sort Corsaro, Carmelo
collection PubMed
description Liquid’s behaviour, when close to critical points, is of extreme importance both for fundamental research and industrial applications. A detailed knowledge of the structural–dynamical correlations in their proximity is still today a target to reach. Liquid water anomalies are ascribed to the presence of a second liquid–liquid critical point, which seems to be located in the very deep supercooled regime, even below 200 K and at pressure around 2 kbar. In this work, the thermal behaviour of the self-diffusion coefficient for liquid water is analyzed, in terms of a two-states model, for the first time in a very wide thermal region (126 K < T < 623 K), including those of the two critical points. Further, the corresponding configurational entropy and isobaric-specific heat have been evaluated within the same interval. The two liquid states correspond to high and low-density water local structures that play a primary role on water dynamical behavior over 500 K.
format Online
Article
Text
id pubmed-8512083
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher MDPI
record_format MEDLINE/PubMed
spelling pubmed-85120832021-10-14 From Critical Point to Critical Point: The Two-States Model Describes Liquid Water Self-Diffusion from 623 to 126 K Corsaro, Carmelo Fazio, Enza Molecules Communication Liquid’s behaviour, when close to critical points, is of extreme importance both for fundamental research and industrial applications. A detailed knowledge of the structural–dynamical correlations in their proximity is still today a target to reach. Liquid water anomalies are ascribed to the presence of a second liquid–liquid critical point, which seems to be located in the very deep supercooled regime, even below 200 K and at pressure around 2 kbar. In this work, the thermal behaviour of the self-diffusion coefficient for liquid water is analyzed, in terms of a two-states model, for the first time in a very wide thermal region (126 K < T < 623 K), including those of the two critical points. Further, the corresponding configurational entropy and isobaric-specific heat have been evaluated within the same interval. The two liquid states correspond to high and low-density water local structures that play a primary role on water dynamical behavior over 500 K. MDPI 2021-09-29 /pmc/articles/PMC8512083/ /pubmed/34641442 http://dx.doi.org/10.3390/molecules26195899 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 Communication
Corsaro, Carmelo
Fazio, Enza
From Critical Point to Critical Point: The Two-States Model Describes Liquid Water Self-Diffusion from 623 to 126 K
title From Critical Point to Critical Point: The Two-States Model Describes Liquid Water Self-Diffusion from 623 to 126 K
title_full From Critical Point to Critical Point: The Two-States Model Describes Liquid Water Self-Diffusion from 623 to 126 K
title_fullStr From Critical Point to Critical Point: The Two-States Model Describes Liquid Water Self-Diffusion from 623 to 126 K
title_full_unstemmed From Critical Point to Critical Point: The Two-States Model Describes Liquid Water Self-Diffusion from 623 to 126 K
title_short From Critical Point to Critical Point: The Two-States Model Describes Liquid Water Self-Diffusion from 623 to 126 K
title_sort from critical point to critical point: the two-states model describes liquid water self-diffusion from 623 to 126 k
topic Communication
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8512083/
https://www.ncbi.nlm.nih.gov/pubmed/34641442
http://dx.doi.org/10.3390/molecules26195899
work_keys_str_mv AT corsarocarmelo fromcriticalpointtocriticalpointthetwostatesmodeldescribesliquidwaterselfdiffusionfrom623to126k
AT fazioenza fromcriticalpointtocriticalpointthetwostatesmodeldescribesliquidwaterselfdiffusionfrom623to126k