Please use this identifier to cite or link to this item: http://hdl.handle.net/2307/348
Title: Effect of concentration on the thermodynamics of sodium chloride aqueous solutions in the supercooled regime
Authors: Corradini, Dario
Gallo, Paola
Rovere, Mauro
Keywords: MOLECULAR-DYNAMICS SIMULATIONS
LIQUID PHASE-TRANSITION
EQUATION-OF-STATE
STRUCTURAL-CHARACTERIZATION
ELECTROLYTE-SOLUTIONS
GLASS-TRANSITION
ION ASSOCIATION
WATER-STRUCTURE
NACL SOLUTION
TEMPERATURE
Issue Date: 2009
Publisher: American Institue of Physics
Abstract: 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 isochores planes 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 water for 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 of a liquid-liquid coexistence are found for both concentrations.
URI: http://hdl.handle.net/2307/348
ISSN: 0021-9606
DOI: 10.1063/1.3119634
Appears in Collections:A - Articolo su rivista
X_Dipartimento di Fisica 'Edoardo Amaldi'

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