Adsorption of CO₂and CH₄on carbon and silicon carbide nanotubes: A molecular simulation study

چکیده مقاله

Nanotubes are a special form of adsorbents with high capacity for absorbing gases. In this research, interaction of CO₂ and CH₄ molecules on the surfaces of carbon and silicon carbide nanotubes was calculated by molecular dynamic simulation. It was shown that, in comparison to silicon carbide nanotube, carbon nanotube had higher tendency to adsorb the gases. Also, strength of CO₂interaction with carbon nanotube was relatively higher than CH₄ interaction with nanotube. Radial distribution function of CO₂ and CH₄ around carbon nanotube was calculated and it was shown that adsorptions of these gases were pressure-dependent and, with increasing pressure, adsorption of gases decreased. Finally, gravimetric storage capacities of CO₂ and CH₄ from the mixture of gases were calculated and it was illustrated that carbon nanotube could act as a separation medium of CO₂ from mixture. Copyright © 2015 American Scientific Publishers All rights reserved.