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Accueil > Séminaires > Archive des séminaires d’Utinam > 2013

Arnaud Desmedt

Spectroscopy and simulation of clathrate hydrates

mardi 2 juillet 2013, 14h

salle de conférences de l’observatoire

Arnaud Desmedt, chercheur CNRS à l’Institut des Sciences Moléculaires de Bordeaux

Résumé :

Spectroscopy and simulation of clathrate hydrates.

Clathrate hydrates are nanoporous crystalline materials made of a network of hydrogen-bonded water molecules (forming host cages) that is stabilized by the presence of foreign guest molecules. The natural existence of large quantities of hydrocarbon hydrates in deep oceans and permafrost is certainly at the origin of numerous applications in the broad areas of energy and environmental sciences and technologies (e.g. gas storage) [1] [2] . At a fundamental level, their nanostructuration confers on these materials specific properties (e.g. their “glass-like” thermal conductivity) for which the host-guest interactions play a key role [3]. These interactions occur on broad timescale and thus require the use of multi-technique approach (Neutron scattering, Raman, NMR, Classical and ab-initio Molecular Dynamics Simulations) in which the combination of molecular dynamics and neutron scattering brings unvaluable information. The investigation of dynamical properties of clathrate hydrates reveals the underlying factors governing chemical-physics properties specific to these nanoporous systems, such as the cage energy landscape [4] [5] [6] [7] [8], molecular hydrogen diffusion [9] [10] or protonic conduction

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