Molecular Dynamic Simulation of adsorption of CO2and CH4 on Carbon Nanotubes
عنوان مقاله: Molecular Dynamic Simulation of adsorption of CO2and CH4 on Carbon Nanotubes
شناسه ملی مقاله: NCOGP03_037
منتشر شده در سومین همایش ملی نفت، گاز و پتروشیمی در سال 1392
شناسه ملی مقاله: NCOGP03_037
منتشر شده در سومین همایش ملی نفت، گاز و پتروشیمی در سال 1392
مشخصات نویسندگان مقاله:
A Dadgar - Department of Chemistry, Islamic Azad University of Gachsaran, Gachsaran, Iran
H.R Shamlouei
خلاصه مقاله:
A Dadgar - Department of Chemistry, Islamic Azad University of Gachsaran, Gachsaran, Iran
H.R Shamlouei
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.
کلمات کلیدی: Molecular Dynamic Simulation, Nanotubes , adsorption
صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/259133/