Simulation Study for Adsorption of Carbon Dioxide and Methane in Carbon-nanotubes

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P. Phadungbut
W. Julklang
P. Sriling
W. Intomya
A. Wongkoblap
C. Tangsathitkulchai


This paper presents the study of either carbon dioxide or methane adsorption in single wall carbon nanotube bundles (SWCNs) using a Monte Carlosimulation. Effects of tube diameter, tube wall distance and temperature on adsorption of each fluid in SWCNs are investigated. The adsorption capacity of fluid in a smaller tube diameter is greater than that in a larger pore diameter which observed at the same temperature, and tube wall distance, the initial adsorption occurs inside cylindrical pores. For the effect of separation spacing,an early onset in adsorption isotherm is observed for the smaller tube wall distances. In the case of 16.3 Å pore, if the wall distance is greater than 7 Å the adsorption initially occurs in the cusp interstices, on the other hand, it initially resides inside tubes. Finally the experimental data show that gas can be adsorbed in carbon nanotubes better than in activated carbon.

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S. Iijima, “Helical microtubules of graphitic carbon”, Nature, Vol. 354, pp. 56, 1991.

S. Agnihotri, J.P.B. Mota, M. Rostam-Abadi, M.J. rood, Carbon, Vol. 44, pp. 2376, 2006.

K. Murata, K. Kaneko, W.A. Steele, F. Kokai, K. Takahashi, D. Kasuva, K. Hirahara, M. Yudasaka, S. Iijima, J. Phys. Chem. B, 105, pp. 10210, 2001.

P.I. Ravikovitch, A. Vishnyakov, R. Russo, A.V. Neimark, “Unified Approach to Pore Size Characterization of microporous Carbonaceous Materials from N2, Ar and CO2 Adsorption Isotherms”, Langmuir, Vol. 16, pp. 2311, 2000.

Y.F. Yin, T. Mays, B. McEnaney, “Adsorption of Nitrogen in Carbon Nanotube Arrays”, Langmuir, Vol. 15, pp. 8714,1999.

J.G. Harris, K.H. Yung, “Carbon Dioxide’s Liquid-Vapor Coexistence Curve and Critical Properties as Predicted by a Simple Molecular Model”, Journal of Physical Chemistry, Vol.99, pp.12021-12024, 1995.

D. Frenkel, B. Smit, Understanding Molecular Simulation, 2ndedition, Academic Press, New York, 2002.

A. Wongkoblap, D.D. Do, K. Wang, “Adsorption of Polar and Nonpolar Fluids in Carbon Nanotube Bundles: Computer Simulation and Experimental Studies”, Journal of Colloid and Interface Science, Vol. 331, pp.65-76, 2009.

D.D. Do, Adsorption Analysis: Equilibria and Kinetics, Imperial College Press,New Jersey, 1998.