Geodesic
Classical density functional approach to adsorption of hydrogen in carbon materials
Nanosistemy: fizika, himiâ, matematika, Tome 6 (2015) no. 3, pp. 394-404.

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The adsorption of hydrogen in carbon adsorbents was investigated at low and high temperatures (20.33, 77, 200 and 300 K) over a wide range of pressures using the classical density functional theory. The adsorbent was simulated by a slit-like pore presented by the gap between two monocarbon (graphene) walls. In most cases, our results demonstrate a good agreement with the available experimental and theoretical results of other authors. A conclusion was made that, contrary to the low temperature region ( T 100 K), at high temperatures (200 and 300 K), predicted values for the adsorption and of the gravimetric density of hydrogen are not sufficient for the practical design of a hydrogen accumulator.
Keywords: hydrogen, density functional theory.
Mots-clés : adsorption, carbon adsorbents 
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     author = {V. V. Zubkov and V. M. Samsonov and I. V. Grinev and I. V. Popov},
     title = {Classical density functional approach to adsorption of hydrogen in carbon materials},
     journal = {Nanosistemy: fizika, himi\^a, matematika},
     pages = {394--404},
     publisher = {mathdoc},
     volume = {6},
     number = {3},
     year = {2015},
     language = {en},
     url = {http://geodesic.mathdoc.fr/item/NANO_2015_6_3_a8/}
}
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V. V. Zubkov; V. M. Samsonov; I. V. Grinev; I. V. Popov. Classical density functional approach to adsorption of hydrogen in carbon materials. Nanosistemy: fizika, himiâ, matematika, Tome 6 (2015) no. 3, pp. 394-404. http://geodesic.mathdoc.fr/item/NANO_2015_6_3_a8/