Computational Simulation of Methane Adsorption in Single-Walled Carbon Nanotube

Abstract:

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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.

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Periodical:

Edited by:

Helen Zhang and David Jin

Pages:

983-986

DOI:

10.4028/www.scientific.net/AMM.63-64.983

Citation:

K. R. He and Z. C. Lu, "Computational Simulation of Methane Adsorption in Single-Walled Carbon Nanotube", Applied Mechanics and Materials, Vols. 63-64, pp. 983-986, 2011

Online since:

June 2011

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$35.00

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