Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2009-03-23
J. Chem. Phys. 130, 154511 (2009)
Physics
Condensed Matter
Soft Condensed Matter
8 pages, 10 figures, 1 table. To be published on J. Chem. Phys
Scientific paper
10.1063/1.3119634
Molecular Dynamics simulations are performed on two sodium chloride solutions in TIP4P water with concentrations c=1.36 mol/kg and c=2.10 mol/kg upon supercooling. The isotherms and isochoresplanes are calculated. The temperature of maximum density line and the limit of mechanical stability line are obtained from the analysis of the thermodynamic planes. The comparison of the results shows that for densities well above the limit of mechanical stability, the isotherms and isochores of the sodium chloride aqueous solution shift to lower pressures upon increasing concentration while the limit of mechanical stability is very similar to that of bulk waterfor both concentrations. We also find that the temperature of maximum density line shifts to lower pressures and temperatures upon increasing concentration. Indications of the presence ofa liquid-liquid coexistence are found for both concentrations.
Corradini Dario
Gallo Paola
Rovere Marco
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