Investigations of CO2, CH4 and N2 physisorption in single-walled silicon carbon nanotubes using GCMC simulation

Abstract

In this paper, we report N2, CH4 and CO2 adsorption in single-walled silicon carbon nanotubes (SiCNTs) using grand canonical Monte-Carlo and calculate the isosteric heat of gas adsorption. The results demonstrate that at ambient temperature and high pressure, gas adsorption in these nanotubes is in the order of CO2 > CH4 > N2 and nanotubes' order is (10,10) < (20,20)