Mechanisms for thermal conduction in hydrogen hydrate

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چکیده

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Mechanisms for thermal conduction in hydrogen hydrate.

Extensive equilibrium molecular dynamics simulations have been performed to investigate thermal conduction mechanisms via the Green-Kubo approach for (type II) hydrogen hydrate, at 0.05 kbar and between 30 and 250 K, for both lightly filled H(2) hydrates (1s4l) and for more densely filled H(2) systems (2s4l), in which four H(2) molecules are present in the large cavities, with respective single...

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ژورنال

عنوان ژورنال: The Journal of Chemical Physics

سال: 2012

ISSN: 0021-9606,1089-7690

DOI: 10.1063/1.3677189