Vibrational dynamics of adsorbed water under pressure: thermodynamics of intergranular water in geological media
Water in deep-seated rocks (lower crust, subduction zones), when present, is expected to mostly occur as thin films wetting the surface of hydrophyllic minerals. Its physical and chemical properties must therefore significantly depart from those of bulk water. We propose to use incoherent inelastic neutron scattering (IINS) experiment to probe the vibrational density of states (vDOS) of water in the intergranular medium under high pressure and high temperature conditions. In parallel to these experiments, molecular dynamics simulations will be performed with the support of the ILL's C-Lab. The targeted sample is a brucite, Mg(OH)2, polycrystal which (1) exhibits dominant {100} surfaces and which (2) is subjected to water transfer (at around 700 K, 2 GPa) from bulk to intergranular region below the brucite dehydration temperature as already shown using in-situ impedance spectroscopy. In order to perform this study, we plan to use the high pressure cell available at LAGRANGE and which can be run up to pressures 2 GPa, i.e. perfectly relevant to the Earth's conditions where intergranular water properties are totally unknown .
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BRUNET Fabrice; BARDELLI Fabrizio; CUELLO Gabriel; FERNANDEZ MARTINEZ Alejandro; JIMENEZ RUIZ Monica; MONDELLI Claudia; SADYKOV Ravil A. and WILDING Martin. (2014). Vibrational dynamics of adsorbed water under pressure: thermodynamics of intergranular water in geological media. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.6-02-534
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