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Equation of state for water and its line of density maxima down to -120 MPa.

Authors :
Pallares G
Gonzalez MA
Abascal JL
Valeriani C
Caupin F
Source :
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2016 Feb 17; Vol. 18 (8), pp. 5896-900.
Publication Year :
2016

Abstract

As water is involved in countless natural and industrial processes, its thermodynamic properties have been measured in a wide temperature and pressure range. Data on supercooled water are also available down to -73 °C and up to 400 MPa. In contrast, data at negative pressures are extremely scarce. Here we provide an experimental equation of state for water down to -120 MPa. In particular, we obtain the line of density maxima (LDM) of water down to a pressure six times more negative than previously available. As temperature increases from 4 up to 18 °C, the pressure PLDM(T) along the LDM decreases monotonically from 0 down to -120 MPa, while the slope dPLDM/dT becomes more negative. The experimental results are compared with molecular dynamic simulations of TIP4P/2005 water and a two-state model. We also discuss the possibility to observe extrema in compressibility and heat capacity at negative pressures, features that have remained elusive at positive pressures.

Details

Language :
English
ISSN :
1463-9084
Volume :
18
Issue :
8
Database :
MEDLINE
Journal :
Physical chemistry chemical physics : PCCP
Publication Type :
Academic Journal
Accession number :
26840756
Full Text :
https://doi.org/10.1039/c5cp07580g