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• W2334491844 endingPage "7000" @default.
• W2334491844 startingPage "6991" @default.
• W2334491844 abstract "The ability of a single sodium dodecyl sulfate (SDS) molecule to promote the formation of CO2 clathrate hydrates in water (as it does for methane) has been investigated at the microscopic level. For this purpose, the components of the related force field were carefully formulated and assembled following the procedure previously adopted for methane. The properties of the whole system (as well as those of its components) were analyzed by carrying out extended molecular dynamics calculations. Contrary to what happens for methane, the calculations singled out the propensity of CO2 (pure) water clusters to form clathrate hydrate-like structures and the disappearance of such propensity when a single SDS molecule is added to the clusters. This feature was found to be due to the strong interaction of carbon dioxide with the additive that makes the SDS molecule lose its shape together with its ability to drive water molecules to form a suitable cage." @default.
• W2334491844 created "2016-06-24" @default.
• W2334491844 creator A5000013735 @default.
• W2334491844 creator A5027284316 @default.
• W2334491844 creator A5075821338 @default.
• W2334491844 date "2013-05-16" @default.
• W2334491844 modified "2023-10-15" @default.
• W2334491844 title "Carbon Dioxide Clathrate Hydrates: Selective Role of Intermolecular Interactions and Action of the SDS Catalyst" @default.
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• W2334491844 doi "https://doi.org/10.1021/jp3126158" @default.
• W2334491844 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23635031" @default.
• W2334491844 hasPublicationYear "2013" @default.
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