Molecular Dynamics Study of Clathrate-like Ordering of Water in Supersaturated Methane Solution at Low Pressure

Using molecular dynamics, the evolution of a metastable solution for “methane + water” was studied for concentrations of 3.36, 6.5, 9.45, 12.2, and 14.8 mol% methane at 270 K and 1 bar during 100 ns. We have found the intriguing behavior of the system containing over 10,000 water molecules: the form...

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Detalles Bibliográficos
Autores principales: Belosludov, Rodion V., Gets, Kirill V., Zhdanov, Ravil K., Bozhko, Yulia Y., Belosludov, Vladimir R., Chen, Li-Jen, Kawazoe, Yoshiyuki
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10095827/
https://www.ncbi.nlm.nih.gov/pubmed/37049727
http://dx.doi.org/10.3390/molecules28072960

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10095827/
https://www.ncbi.nlm.nih.gov/pubmed/37049727
http://dx.doi.org/10.3390/molecules28072960

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