Optimaization of Single-Walled Carbon Nanotube for Adsorption of Methane

Abstract:

In this paper, methane adsorption in single-walled carbon nanotube (SWNT) has been simulated by using the grand canonical ensemble Monte Carlo (GCMC) method. Lennard-Jones (LJ) potential is used to represent the fluid-fluid interaction, Lennard-Jones potential and integral method are used to calculation of the potential between fluid molecules and carbon atoms, respectively. In the simulation, two methods of calculation of potential between fluid molecules and SWNT are compared. The potential calculated by the two methods are almost the same. Then the influence of diameter of SWNT on the usable capacity ratio (UCR) is analyzed, and the parameters of the SWNT which has the best adsorption performance at 300K is recommended under certain pressure.

• Periodical: Advanced Materials Research (Volumes 291-294)
• Pages: 490-493
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.291-294.490
• Online since: July 2011
• Authors: Ke Rong He
• Keywords: Adsorption, Optimal Parameter, Single-Walled Carbon Nanotube (SWCNT)

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