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Hydration Simulations of a Carbon Nanotube, immersed in Water, according to the 3-Attractor Water Model
MC simulations of a set of zigzag ((9,0)-(14,0)) and armchair ((6,6)-(10,10)) carbon nanotubes immersed in water have been carried out in NpT-ensemble (512 water molecules, p=1 bar, T=298 K). Intermolecular interaction were described by BMW potential according to which, besides the well known linear...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Molecular Diversity Preservation International (MDPI)
2005
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3933886/ |