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



P. Phadungbut, W. Julklang, P. Sriling, W. Intomya, A. Wongkoblap* and C.Tangsathitkulchai


School of Chemical Engineering, Institute of Engineering, 

SuranareeUniversity of Technology, Nakhon Ratchasima, 30000, Thailand

*E-mail: This email address is being protected from spambots. You need JavaScript enabled to view it.

Manuscript received October 2, 2012

Revised November 9, 2012



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.


Keywords: Computer simulation, Carbon-nanotubes, Gas adsorption, Monte Carlo.

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