Several evidences have helped to establish the two-state nature of liquid water. Thus, within the normal liquid and supercooled regimes water has been shown to consist of a mixture of well-structured, low-density molecules and unstructured, high-density ones. However, quantitative analyses have faced the burden of unambiguously determining both the presence and the fraction of each kind of water "species". A recent approach by combining a local structure index with potential-energy minimisations allows us to overcome this difficulty. Thus, in this work we extend such study and employ it to quantitatively determine the fraction of structured molecules as a function of temperature for different densities. This enables us to validate predictions of two-state models.

Quantitative investigation of the two-state picture for water in the normal liquid and the supercooled regime / S. r., Accordino; J. a., Rodriguez Fris; Sciortino, Francesco; G. a., Appignanesi. - In: THE EUROPEAN PHYSICAL JOURNAL. E, SOFT MATTER. - ISSN 1292-8941. - 34:5(2011). [10.1140/epje/i2011-11048-1]

Quantitative investigation of the two-state picture for water in the normal liquid and the supercooled regime

SCIORTINO, Francesco;
2011

Abstract

Several evidences have helped to establish the two-state nature of liquid water. Thus, within the normal liquid and supercooled regimes water has been shown to consist of a mixture of well-structured, low-density molecules and unstructured, high-density ones. However, quantitative analyses have faced the burden of unambiguously determining both the presence and the fraction of each kind of water "species". A recent approach by combining a local structure index with potential-energy minimisations allows us to overcome this difficulty. Thus, in this work we extend such study and employ it to quantitatively determine the fraction of structured molecules as a function of temperature for different densities. This enables us to validate predictions of two-state models.
2011
01 Pubblicazione su rivista::01a Articolo in rivista
Quantitative investigation of the two-state picture for water in the normal liquid and the supercooled regime / S. r., Accordino; J. a., Rodriguez Fris; Sciortino, Francesco; G. a., Appignanesi. - In: THE EUROPEAN PHYSICAL JOURNAL. E, SOFT MATTER. - ISSN 1292-8941. - 34:5(2011). [10.1140/epje/i2011-11048-1]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/437521
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