Effect of the shape and size of carbon nanopores on kinetic properties of molecular hydrogen

A. V. Korchuganov, K. P. Zolnikov, D. S. Kryzhevich, S. G. Psakhie

Результат исследований: Материалы для книги/типы отчетовМатериалы для конференции

Выдержка

A molecular dynamics simulation is performed to investigate the behavior of hydrogen molecules in carbon nanopores of slit-like, cylindrical and spherical shapes. The density of adsorbed gas is found to depend on the pore size. In the direction from the adsorbed layer to the pore center there appears a region with low gas density. The higher the gas density in the adsorbed layer, the higher the density decrease in the neighboring region. It is shown that the wall surface curvature is the main factor contributing to an increase in the adsorbed gas density with decreasing pore size. Therefore, the adsorbate density growth with decreasing pore size is most rapid in spherical pores.

Язык оригиналаАнглийский
Название основной публикацииAdvanced Materials with Hierarchical Structure for New Technologies and Reliable Structures
ИздательAmerican Institute of Physics Inc.
Том1683
ISBN (электронное издание)9780735413306
DOI
СостояниеОпубликовано - 27 окт 2015
СобытиеInternational Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2015 - Tomsk, Российская Федерация
Продолжительность: 21 сен 201525 сен 2015

Конференция

КонференцияInternational Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2015
СтранаРоссийская Федерация
ГородTomsk
Период21.9.1525.9.15

Отпечаток

porosity
carbon
kinetics
hydrogen
gas density
rarefied gases
slits
curvature
molecular dynamics
gases
molecules
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Цитировать

Korchuganov, A. V., Zolnikov, K. P., Kryzhevich, D. S., & Psakhie, S. G. (2015). Effect of the shape and size of carbon nanopores on kinetic properties of molecular hydrogen. В Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures (Том 1683). [020096] American Institute of Physics Inc.. https://doi.org/10.1063/1.4932786

Effect of the shape and size of carbon nanopores on kinetic properties of molecular hydrogen. / Korchuganov, A. V.; Zolnikov, K. P.; Kryzhevich, D. S.; Psakhie, S. G.

Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures. Том 1683 American Institute of Physics Inc., 2015. 020096.

Результат исследований: Материалы для книги/типы отчетовМатериалы для конференции

Korchuganov, AV, Zolnikov, KP, Kryzhevich, DS & Psakhie, SG 2015, Effect of the shape and size of carbon nanopores on kinetic properties of molecular hydrogen. в Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures. том. 1683, 020096, American Institute of Physics Inc., Tomsk, Российская Федерация, 21.9.15. https://doi.org/10.1063/1.4932786
Korchuganov AV, Zolnikov KP, Kryzhevich DS, Psakhie SG. Effect of the shape and size of carbon nanopores on kinetic properties of molecular hydrogen. В Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures. Том 1683. American Institute of Physics Inc. 2015. 020096 https://doi.org/10.1063/1.4932786
Korchuganov, A. V. ; Zolnikov, K. P. ; Kryzhevich, D. S. ; Psakhie, S. G. / Effect of the shape and size of carbon nanopores on kinetic properties of molecular hydrogen. Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures. Том 1683 American Institute of Physics Inc., 2015.
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N2 - A molecular dynamics simulation is performed to investigate the behavior of hydrogen molecules in carbon nanopores of slit-like, cylindrical and spherical shapes. The density of adsorbed gas is found to depend on the pore size. In the direction from the adsorbed layer to the pore center there appears a region with low gas density. The higher the gas density in the adsorbed layer, the higher the density decrease in the neighboring region. It is shown that the wall surface curvature is the main factor contributing to an increase in the adsorbed gas density with decreasing pore size. Therefore, the adsorbate density growth with decreasing pore size is most rapid in spherical pores.

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