期刊
EUROPEAN PHYSICAL JOURNAL E
卷 34, 期 5, 页码 -出版社
SPRINGER
DOI: 10.1140/epje/i2011-11048-1
关键词
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资金
- ERC [226207-PATCHY-COLLOIDS]
- ANPCyT [PME 2006-1581]
- MinCyT
- CONICET
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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