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arXiv · 1706.09350

Dynamics of hydrogen guests in ice XVII nanopores

Leonardo del Rosso·Milva Celli·Daniele Colognesi·Svemir Rudic·Niall J. English·Christian J. Burnham·Lorenzo Ulivi
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Abstract

The present high-resolution inelastic neutron scattering experiment on ice XVII, containing molecular hydrogen with different ortho/para ratio, allows to assign the H$_2$ motion spectral bands to rotational and center-of-mass translational transitions of either {\it para}- or {\it ortho}-H$_2$. Due to its structure, ice XVII confines H$_2$ molecules to move in spiral channels of molecular size. Reported data demonstrate that H$_2$ molecules rotate almost freely in these nanometric channels, though showing larger perturbation than in clathrate hydrates, and perform a translational motion exhibiting two low frequency excitations. The good agreement between experimental spectra and corresponding molecular dynamics results clearly enables to portray a picture of the confined motions of a hydrophobic guest within a metastable ice framework, i.e. ice XVII.

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Leonardo del Rosso, Milva Celli, Daniele Colognesi, Svemir Rudic, Niall J. English, Christian J. Burnham, Lorenzo Ulivi. 2017-06-28. Dynamics of hydrogen guests in ice XVII nanopores. https://doi.org/10.1103/physrevmaterials.1.065602

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