| Téléchargement | - Voir la version finale : Methane clathrate formation is catalyzed and kinetically inhibited by the same molecule: two facets of methanol (PDF, 3.5 Mio)
- Voir les données supplémentaires : Methane clathrate formation is catalyzed and kinetically inhibited by the same molecule: two facets of methanol (PDF, 1.5 Mio)
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| DOI | Trouver le DOI : https://doi.org/10.1021/acs.jpcb.1c01274 |
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| Auteur | Rechercher : Su, ZhaoqianIdentifiant ORCID : https://orcid.org/0000-0002-8369-0697; Rechercher : Alavi, SamanIdentifiant ORCID : https://orcid.org/0000-0001-9463-8766; Rechercher : Ripmeester, John A.1Identifiant ORCID : https://orcid.org/0000-0002-4091-5120; Rechercher : Wolosh, Gedaliah; Rechercher : Dias, Cristiano L.Identifiant ORCID : https://orcid.org/0000-0002-8765-3922 |
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| Affiliation | - Conseil national de recherches Canada. Technologies de sécurité et de rupture
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| Format | Texte, Article |
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| Sujet | solvates; hydrocarbons; alcohols; hydrate formation; molecules |
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| Résumé | Here, we perform molecular dynamics simulations to provide atomic-level insights into the dual roles of methanol in enhancing and delaying the rate of methane clathrate hydrate nucleation. Consistent with experiments, we find that methanol slows clathrate hydrate nucleation above 250 K but promotes clathrate formation at temperatures below 250 K. We show that this behavior can be rationalized by the unusual temperature dependence of the methane–methanol interaction in an aqueous solution, which emerges due to the hydrophobic effect. In addition to its antifreeze properties at temperatures above 250 K, methanol competes with water to interact with methane prior to the formation of clathrate nuclei. Below 250 K, methanol encourages water to occupy the space between methane molecules favoring clathrate formation and it may additionally promote water mobility. |
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| Date de publication | 2021-04-16 |
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| Maison d’édition | American Chemical Society |
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| Licence | |
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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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| 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 | 6c8b09d4-831b-475d-8679-1a289effcf2e |
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| Enregistrement créé | 2022-01-10 |
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| Enregistrement modifié | 2022-01-10 |
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