Paper Title:
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.

  Info
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, 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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