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...

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Detalles Bibliográficos
Autores principales: Kim, Junghan, Frijns, Arjan J. H., Nedea, Silvia V., van Steenhoven, Anton A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2015
Materias:
Research Paper
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

Internet

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

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