Anzeige
Erschienen in:
2014 | OriginalPaper | Buchkapitel
The Molecular Stirrer Catalytic Effect in Methane Ice Formation
verfasst von : Noelia Faginas Lago, Margarita Albertí, Antonio Laganà, Andrea Lombardi, Leonardo Pacifici, Alessandro Costantini
Erschienen in: Computational Science and Its Applications – ICCSA 2014
Verlag: Springer International Publishing
Aktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.
Wählen Sie Textabschnitte aus um mit Künstlicher Intelligenz passenden Patente zu finden. powered by
Markieren Sie Textabschnitte, um KI-gestützt weitere passende Inhalte zu finden. powered by
The use of the high throughput European Grid Infrastructure, of the synergistic workflow-directed Grid Empowered Molecular Simulator, of the molecular polarizability driven formulation of the intermolecular interaction, has been exploited to the end of rationalizing the Sodium Docecyl Sulfate (SDS) catalyzed formation of methane clathrate hydrates. The mild distortion undergone by the SDS additive when interacting with CH
4
in water solution still allows such molecule to act as a molecular stirrer and catalyze the caging of the solvent molecule around methane. On the contrary, this is not found to occur for CO
2
because its strong interaction with the SDS molecule makes the additive fold and lose the stirring ability.