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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2023
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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 |