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Gas hydrate nucleation and cage formation at a water/methane interface
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Hawtin, R. W., Quigley, David and Rodger, P. Mark (2008) Gas hydrate nucleation and cage formation at a water/methane interface. Physical Chemistry Chemical Physics, Vol.10 (No.32). pp. 4853-4864. doi:10.1039/b807455k ISSN 1463-9076.
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Official URL: http://dx.doi.org/10.1039/b807455k
Abstract
Nucleation of gas hydrates remains a poorly understood phenomenon, despite its importance as a critical step in understanding the performance and mode of action of low dosage hydrate inhibitors. We present here a detailed analysis of the structural and mechanistic processes by which gas hydrates nucleate in a molecular dynamics simulation of dissolved methane at a methane/water interface. It was found that hydrate initially nucleates into a phase consistent with none of the common bulk crystal structures, but containing structural units of all of them. The process of water cage formation has been found to correlate strongly with the collective arrangement of methane molecules.
| Item Type: | Journal Article | ||||
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| Subjects: | Q Science > QD Chemistry Q Science > QC Physics |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Computer Science Faculty of Science, Engineering and Medicine > Science > Physics |
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| Library of Congress Subject Headings (LCSH): | Interfaces (Physical sciences), Nucleation, Hydrates, Molecular dynamics -- Computer simulation, Gas-liquid interfaces, Methane | ||||
| Journal or Publication Title: | Physical Chemistry Chemical Physics | ||||
| Publisher: | Royal Society of Chemistry | ||||
| ISSN: | 1463-9076 | ||||
| Official Date: | 2008 | ||||
| Dates: |
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| Volume: | Vol.10 | ||||
| Number: | No.32 | ||||
| Number of Pages: | 12 | ||||
| Page Range: | pp. 4853-4864 | ||||
| DOI: | 10.1039/b807455k | ||||
| Status: | Peer Reviewed | ||||
| Publication Status: | Published |
Data sourced from Thomson Reuters' Web of Knowledge
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