Computational Simulation of Methane Adsorption in Single-Walled Carbon Nanotube

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, and integral method is used to calculation of the potential between fluid molecules and carbon atoms. In the simulation, adsorption isotherms of methane in the (15, 15), (20, 20), (25, 25) and (30, 30) SWNT are simulated.

• Periodical: Applied Mechanics and Materials (Volumes 63-64)
• Pages: 983-986
• DOI: https://doi.org/10.4028/www.scientific.net/AMM.63-64.983
• Online since: June 2011
• Authors: Ke Rong He, Zhi Chu Lu
• Keywords: Adsorption, Grand Canonical Ensemble Monte Carlo Simulation, Single-Walled Carbon Nanotube (SWCNT)

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