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Molecular simulation of water vapor outgassing from silica nanopores
The outgassing problem is solved numerically by molecular dynamics. A slit-shaped nanopore consisting of cavity and channel is built with an implicit tabulated wall potential that describes the water–silicon/silica interaction. A flexible three-point water model is used for the simulation. The effec...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Berlin Heidelberg
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4572717/ https://www.ncbi.nlm.nih.gov/pubmed/26413040 http://dx.doi.org/10.1007/s10404-015-1583-3 |