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    Por favor, use este identificador para citar o enlazar este ítem:https://uvadoc.uva.es/handle/10324/52208

    Título
    Grand Canonical Monte Carlo simulations of the hydrogen storage capacities of slit-shaped pores, nanotubes and torusenes
    Autor
    Caviedes Velasco, David
    Cabria Álvaro, IvánAutoridad UVA Orcid
    Año del Documento
    2022
    Editorial
    Elsevier
    Descripción
    Producción Científica
    Documento Fuente
    International Journal of Hydrogen Energy, 2022, vol. 47, n. 23. p. 11916-11928
    Resumen
    Grand Canonical Monte Carlo, GCMC, simulations are used to study the gravimetric and volumetric hydrogen storage capacities of different carbon nanopores shapes: Slit-shaped, nanotubes and torusenes at room temperature, 298.15 K, and at pressures between 0.1 and 35 MPa, and for pore diameter or width between 4 and 15 Å. The influence of the pore shape or curvature on the storage capacities as a function of pressure, temperature and pore diameter is investigated and analyzed. A large curvature of the pores means, in general, an increase of the storage capacities of the pores. While torusenes and nanotubes have surfaces with more curvature than the slit-shaped planar pores, their capacities are lower than those of the slit-shaped pores, according to the present GCMC simulations. Torusene, a less studied carbon nanostructure, has two radii or curvatures, but their storage capacities are similar or lower than those of nanotubes, which have only one radius or curvature. The goal is to obtain qualitative and quantitative relationships between the structure of porous materials and the hydrogen storage capacities, in particular or especially the relationship between shape and width of the pores and the hydrogen storage capacities of carbon-based porous materials.
    Palabras Clave
    Hydrogen storage
    Almacenamiento de hidrógeno
    Hydrogen physisorption
    Fisisorción de hidrógeno
    Nanoporous carbons
    Carbonos nanoporosos
    ISSN
    0360-3199
    Revisión por pares
    SI
    DOI
    10.1016/j.ijhydene.2022.01.229
    Patrocinador
    Ministerio de Ciencia e Innovación (grant PGC2018-093745-B-I00)
    Junta de Castilla y León (grant VA124G18)
    Version del Editor
    https://www.sciencedirect.com/science/article/pii/S0360319922004736?via%3Dihub
    Propietario de los Derechos
    © 2022 The Authors
    Idioma
    eng
    URI
    https://uvadoc.uva.es/handle/10324/52208
    Tipo de versión
    info:eu-repo/semantics/publishedVersion
    Derechos
    openAccess
    Aparece en las colecciones
    • PNM - Artículos de revistas [30]
    • DEP33 - Artículos de revista [199]
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    Universidad de Valladolid

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