Classical density functional approach to adsorption of hydrogen in carbon materials
Аннотация:
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.
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