| Téléchargement | - Voir le manuscrit accepté : Molecular simulation of non-equilibrium methane Hydrate Decomposition. (PDF, 3.5 Mio)
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| DOI | Trouver le DOI : https://doi.org/10.1016/j.jct.2011.08.021 |
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| Auteur | Rechercher : Bagherzadeh, S. Alireza; Rechercher : Englezos, Peter; Rechercher : Alavi, Saman; Rechercher : Ripmeester, John A.1 |
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| Affiliation | - Conseil national de recherches du Canada. Institut Steacie des sciences moléculaires du CNRC
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| Format | Texte, Article |
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| Résumé | We recently performed constant energy molecular dynamics simulations of the endothermic decomposition of methanehydrate in contact with water to study phenomenologically the role of mass and heat transfer in the decomposition rate [S. Alavi, J.A. Ripmeester, J. Chem. Phys. 132 (2010) 144703]. We observed that with the progress of the decomposition front temperature gradients are established between the remaining solid hydrate and the solution phases. In this work, we provide further quantitative macroscopic and molecular level analysis of the methanehydratedecomposition process with an emphasis on elucidating microscopic details and how they affect the predicted rate of methanehydratedecomposition in natural methanehydrate reservoirs. A quantitative criterion is used to characterize the decomposition of the hydrate phase at different times. Hydrate dissociation occurs in a stepwise fashion with rows of sI cages parallel to the interface decomposing simultaneously. The correlations between decomposition times of subsequent layers of the hydrate phase are discussed. |
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| Date de publication | 2011-08-27 |
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| Dans | |
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| Langue | anglais |
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| Publications évaluées par des pairs | Oui |
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| Numéro NPARC | 19727339 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | 7d76d430-0601-4f36-9cb8-3983482c477e |
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| Enregistrement créé | 2012-03-29 |
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| Enregistrement modifié | 2020-04-21 |
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