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research article

Probing ice VII crystallization from amorphous NaCl-D2O solutions at gigapascal pressures

Ludl, A. -A.
•
Bove, L. E.  
•
Corradini, D.
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2017
Physical Chemistry Chemical Physics

We probe the possible inclusion of salt (NaCl) in the ice VII lattice over the pressure range from 2 to 4 gigapascal. We combine data from neutron diffraction experiments under pressure and from computational structure searches based on density functional theory. We observe that the high density amorphous precursor (NaCl.10.2D(2)O) crystallises during annealing at high pressure in the vicinity of the phase boundary between pure ices VII and VIII. The structure formed is very similar to that of pure ice VII. Our simulations indicate that substituting water molecules in the ice VII lattice with Na+ and Cl- ions would lead to a significant expansion of the lattice parameter. Since this expansion was not observed in our experiments, the ice crystallised is likely to be pure D2O or contains only a small fraction of the ions from the salt solution.

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Type
research article
DOI
10.1039/c6cp07340a
Web of Science ID

WOS:000394426400020

Author(s)
Ludl, A. -A.
•
Bove, L. E.  
•
Corradini, D.
•
Saitta, A. M.
•
Salanne, M.
•
Bull, C. L.
•
Klotz, S.
Date Issued

2017

Publisher

Royal Soc Chemistry

Published in
Physical Chemistry Chemical Physics
Volume

19

Issue

3

Start page

1875

End page

1883

Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
EPSL  
Available on Infoscience
May 1, 2017
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/136660
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