Literature DB >> 21573766

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

S R Accordino1, J A Rodriguez Fris, F Sciortino, G A Appignanesi.   

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.

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Year:  2011        PMID: 21573766     DOI: 10.1140/epje/i2011-11048-1

Source DB:  PubMed          Journal:  Eur Phys J E Soft Matter        ISSN: 1292-8941            Impact factor:   1.890


  16 in total

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  7 in total

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Authors:  María Belén Sierra; Sebastián R Accordino; J Ariel Rodriguez-Fris; Marcela A Morini; Gustavo A Appignanesi; Ariel Fernández Stigliano
Journal:  Eur Phys J E Soft Matter       Date:  2013-06-25       Impact factor: 1.890

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Journal:  Eur Phys J E Soft Matter       Date:  2012-10-31       Impact factor: 1.890

3.  Structure and dynamics of high- and low-density water molecules in the liquid and supercooled regimes.

Authors:  Joan Manuel Montes de Oca; J Ariel Rodriguez Fris; Sebastián R Accordino; David C Malaspina; Gustavo A Appignanesi
Journal:  Eur Phys J E Soft Matter       Date:  2016-12-15       Impact factor: 1.890

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Journal:  Proc Natl Acad Sci U S A       Date:  2018-02-08       Impact factor: 11.205

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7.  A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). II. Temperature transferability and structural properties at low temperature.

Authors:  Jaehyeok Jin; Alexander J Pak; Yining Han; Gregory A Voth
Journal:  J Chem Phys       Date:  2021-01-28       Impact factor: 3.488

  7 in total

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