Cage fusion from bi-cages to tri-cages during nucleation of methane hydrate: a DFT-D simulation
Water-cages tend to form dense accumulation configurations; and 5 12 and 4 1 5 10 6 2 cages are abundant in the early nucleation stage of CH 4 hydrates.
Published in: | Physical Chemistry Chemical Physics |
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Main Authors: | , , , , , |
Other Authors: | |
Format: | Article in Journal/Newspaper |
Language: | English |
Published: |
Royal Society of Chemistry (RSC)
2019
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Subjects: | |
Online Access: | http://dx.doi.org/10.1039/c8cp07207h http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07207H |
Summary: | Water-cages tend to form dense accumulation configurations; and 5 12 and 4 1 5 10 6 2 cages are abundant in the early nucleation stage of CH 4 hydrates. |
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