Filtering carbon dioxide through carbon nanotubes

Date

2011-04-11T00:00:00Z

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Journal Title

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Publisher

Elsevier Science B.V., Amsterdam.

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Type

Article

ISSN

0009-2614

Format

Free to read from

Citation

Dimitrios Mantzalis, Nikolaos Asproulis and Dimitris Drikakis. Filtering carbon dioxide through carbon nanotubes. Chemical Physics Letters, Volume 506, Issues 1-3, 11 April 2011, Pages 81-85

Abstract

Layering phenomena of carbon dioxide transported through carbon nanotubes are investigated through molecular dynamics simulations. The layering formation is examined for carbon nanotubes spanning from (8,8) to (20,20) subjected to pressures and temperatures that range from 1 to 20 bar and 300 to 400 K, respectively. Well defined layers are developed around the internal and external surface of the nanotubes for all the examined cases. It is shown that the number of layers along with their relative strength varies as a function of the nanotube's diameter, size, carbon dioxide density and gas-structure interactions.

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Software Description

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Github

Keywords

molecular-dynamics hydrogen storage gas separation critical co2 adsorption bundles size temperature simulations transport

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