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.
Ключевые слова:
adsorption, hydrogen, carbon adsorbents, density functional theory.
The work was supported by Russian Foundation for Basic Research (grant No 13-03-00119) and by Ministry of Education and Science of Russian Federation, in frames of the State Program in sphere of scientific activity.
Поступила в редакцию: 06.04.2015 Исправленный вариант: 21.04.2015
Реферативные базы данных:
Тип публикации:
Статья
PACS:68.43.-h, 68.18.Fg, 68.43.De
Язык публикации: английский
Образец цитирования:
V. V. Zubkov, V. M. Samsonov, I. V. Grinev, I. V. Popov, “Classical density functional approach to adsorption of hydrogen in carbon materials”, Наносистемы: физика, химия, математика, 6:3 (2015), 394–404
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https://www.mathnet.ru/rus/nano953
https://www.mathnet.ru/rus/nano/v6/i3/p394
Эта публикация цитируется в следующих 1 статьяx:
Alexander K. Shchekin, Tatiana S. Lebedeva, “Density functional description of size-dependent effects at nucleation on neutral and charged nanoparticles”, The Journal of Chemical Physics, 146:9 (2017)
Цитирование в формате AMSBIB
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