Hydrogen-Gas Migration through Clathrate Hydrate Cages†
Correction(s) for this article
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Hydrogen-Gas Migration through Clathrate Hydrate Cages
- Volume 46Issue 47Angewandte Chemie International Edition
- pages: 8933-8933
- First Published online: November 23, 2007
Saman Alavi Dr.
Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, ON K1A 0R6, Canada, Fax: (+1) 613-947-2838
Search for more papers by this authorJohn A. Ripmeester Prof.
Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, ON K1A 0R6, Canada, Fax: (+1) 613-947-2838
Search for more papers by this authorSaman Alavi Dr.
Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, ON K1A 0R6, Canada, Fax: (+1) 613-947-2838
Search for more papers by this authorJohn A. Ripmeester Prof.
Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, ON K1A 0R6, Canada, Fax: (+1) 613-947-2838
Search for more papers by this authorThe authors acknowledge the support of the National Research Council of Canada.
Graphical Abstract
Escape! Electronic-structure calculations have been used to estimate the energy barriers to the migration of H2 guest molecules from the cages of the structure-II clathrate hydrate (see picture; H green, O red). The escape rates from the cages were calculated using an Arrhenius expression with a tunneling correction.
Supporting Information
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