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Investigation of small inhibitor effects on methane hydrate formation in a carbon nanotube using molecular dynamics simulation

In this work, we simulated water molecules in fixed and rigid (15,0) CNTs and the confined water molecules formed a hexagonal ice nanotube in the CNT. After the addition of methane molecules in the nanotube, the hexagonal structure of confined water molecules disappeared and were replaced by almost...

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Detalles Bibliográficos
Autores principales: Abbaspour, Mohsen, Fotourechi, Fateme, Akbarzadeh, Hamed, Salemi, Sirous
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9971844/
https://www.ncbi.nlm.nih.gov/pubmed/36865572
http://dx.doi.org/10.1039/d2ra06518e