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Selectivity and self-diffusion of CO(2) and H(2) in a mixture on a graphite surface

We performed classical molecular dynamics (MD) simulations to understand the mechanism of adsorption from a gas mixture of CO(2) and H(2) (mole fraction of CO(2) = 0.30) and diffusion along a graphite surface, with the aim to help enrich industrial off-gases in CO(2), separating out H(2). The temper...

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Detalles Bibliográficos
Autores principales:	Trinh, Thuat T., Vlugt, Thijs J. H., Hägg, May-Britt, Bedeaux, Dick, Kjelstrup, Signe
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2013
Materias:	Physics
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3982531/ https://www.ncbi.nlm.nih.gov/pubmed/24790965 http://dx.doi.org/10.3389/fchem.2013.00038

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