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We consider and compare the structural properties of bulk TIP4P water and ofa sodium chloride aqueous solution in TIP4P water with concentration c = 0.67mol/kg, in the metastable supercooled region. In a previous paper [D.Corradini, M. Rovere and P. Gallo, J. Chem. Phys. 132, 134508 (2010)] we foundin both systems the presence of a liquid-liquid critical point (LLCP). The LLCPis believed to be the end point of the coexistence line between a high densityliquid (HDL) and a low density liquid (LDL) phase of water. In the presentpaper we study the different features of water-water structure in HDL and LDLboth in bulk water and in the solution. We find that the ions are able tomodify the bulk LDL structure, rendering water-water structure more similar tothe bulk HDL case. By the study of the hydration structure in HDL and LDL, apossible mechanism for the modification of the bulk LDL structure in thesolution is identified in the substitution of the oxygen by the chloride ion inoxygen coordination shells.

Structural Properties of High and Low Density Water in a Supercooled Aqueous Solution of Salt