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Thermodynamics of supercooled water in solutions and in confinement

Paola Gallo ,  Dario Corradini ,  Mauro Rovere 

Physics Department, University Roma Tre, Via della vasca navale 84, Roma 00146, Italy

Abstract

Results of  molecular dynamics simulations of TIP4P water in a hydrophilic and
hydrophobic environments are presented. The study is done upon supercooling to investigate the modifications induced by these environments in the temperature of maximum density line and in the liquid-gas spinodal.
The first system is done with water confined in a hydrophobic disordered matrix of soft spheres. The second is an aqueous ionic solution of NaCl at low molality. Studies are done for several isochores from 350 K down to 210 K.
Qualitatively these systems behave like the bulk. The spinodal curve is monotonically decreasing and the line of maximum density bends avoiding
a crossing of the spinodal. There are however changes in shape and/or position of these curves in the two systems that will be discussed in comparison with other studies in confinement and in connection with the possible position of a second critical point.

 

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Related papers

Presentation: Poster at E-MRS Fall Meeting 2008, Symposium G, by Paola Gallo
See On-line Journal of E-MRS Fall Meeting 2008

Submitted: 2008-05-16 14:42
Revised:   2009-06-07 00:48