Effect of salt on the H-bond symmetrization in ice

Eleonora Bove, LiviaUniversity of Paris 06, France; Ecole Polytech Federal Lausanne, Switzerland (author)

Funding Agencies|Swiss National Science Foundation through FNS Grant [200021-149847]; French state funds [ANR-13-IS04-0006-01]; Investissements dAvenir programme [ANR-11-IDEX-0004-02]; Grand Equipement National de Calcul Intensif French National Supercomputing Facility [x2013091387]
The richness of the phase diagram of water reduces drastically at very high pressures where only two molecular phases, proton-disordered ice VII and proton-ordered ice VIII, are known. Both phases transform to the centered hydrogen bond atomic phase ice X above about 60 GPa, i.e., at pressures experienced in the interior of large ice bodies in the universe, such as Saturn and Neptune, where nonmolecular ice is thought to be the most abundant phase of water. In this work, we investigate, by Raman spectroscopy up to megabar pressures and ab initio simulations, how the transformation of ice VII in ice X is affected by the presence of salt inclusions in the ice lattice. Considerable amounts of salt can be included in ice VII structure under pressure via rock-ice interaction at depth and processes occurring during planetary accretion. Our study reveals that the presence of salt hinders proton order and hydrogen bond symmetrization, and pushes ice VII to ice X transformation to higher and higher pressures as the concentration of salt is increased.

Gaal, RichardEcole Polytech Federal Lausanne, Switzerland (author)
Raza, ZamaanLinköpings universitet,Teoretisk Fysik,Tekniska fakulteten,University of Paris 06, France(Swepub:liu)zamra51 (author)
Ludl, Adriaan-AlexanderUniversity of Paris 06, France (author)
Klotz, StefanUniversity of Paris 06, France (author)
Marco Saitta, AntoninoUniversity of Paris 06, France (author)
Goncharov, Alexander F.Carnegie Institute Science, DC 20015 USA (author)
Gillet, PhilippeEcole Polytech Federal Lausanne, Switzerland (author)
University of Paris 06, France; Ecole Polytech Federal Lausanne, SwitzerlandEcole Polytech Federal Lausanne, Switzerland (creator_code:org_t)

In:Proceedings of the National Academy of Sciences of the United States of America: National Academy of Sciences112:27, s. 8216-82200027-84241091-6490

By the author/editor: Eleonora Bove, L ...; Gaal, Richard; Raza, Zamaan; Ludl, Adriaan-Al ...; Klotz, Stefan; Marco Saitta, An ...; show more...; Goncharov, Alexa ...; Gillet, Philippe; show less...

About the subject

NATURAL SCIENCES: NATURAL SCIENCES; and Physical Science ...; and Condensed Matter ...

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