Сибирский федеральный университет

Перевод названия: ПЛОТНОСТЬ И ТЕРМОДИНАМИКА ВОДОРОДА, АДСОРБИРОВАННОГО ВНУТРИ УЗКИХ УГЛЕРОДНЫХ НАНОТРУБОК

Тип публикации: статья из журнала

Год издания: 2004

Идентификатор DOI: 10.1134/1.1687883

Аннотация: A model is proposed for calculating the thermodynamic functions and the equilibrium density of a one-dimensional chain of molecules (atoms) adsorbed inside a narrow nanotube. The model considers both the interaction between introduced atoms (molecules) and their interaction with the nanotube walls. The quantum-mechanical effects resulting in discrete energy levels of a particle and in its smeared position between neighbors are taken into account. In calculating the free energy at a nonzero temperature, the phonon contribution and the particle transitions to excited levels are considered. The model is applied to calculate the thermodynamic parameters of adsorbed hydrogen molecules inside extremely narrow single-wall carbon nanotubes of the (3,3) and (6,0) type. It is shown that external pressure gives rise to a sequence of first-order phase transitions, which change the density of adsorbed hydrogen molecules. (C) 2004 MAIK "Nauka / Interperiodica".

Журнал: PHYSICS OF THE SOLID STATE

Выпуск журнала: Vol. 46, Is. 3

Номера страниц: 584-589

ISSN журнала: 10637834

Место издания: MELVILLE

Издатель: AMER INST PHYSICS

• Fedorov A.S. (KRASNOYARSK STATE UNIV)
• Ovchinnikov S.G. (KRASNOYARSK STATE UNIV)

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