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۱Molecular Dynamic Simulation of adsorption of CO2and CH4 on Carbon Nanotubes
نویسنده(ها): ،
اطلاعات انتشار: سومین همایش ملی نفت، گاز و پتروشیمی، سال
تعداد صفحات: ۶
Nanotubes are a special form of adsorbents with high capacity for absorbing gases. In this research, interaction of CO2 and CH4 molecules on C–C nanotube surfaces was calculated by molecular dynamic methods shown that, in comparison to C–C nanotube higher tendency to adsorb the gases. Additionally, strength of CO2 interaction with C–C nanotube was relatively higher than CH4 interaction with nanotube. Radial distribution function of CO2 and CH4 around C–C 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 CO2and CH4 from the mixture of gases were calculated and it was illustrated that C–C nanotube could act as a separation medium of CO2 from mixture.<\div>
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