Molecular Dynamics Investigation on the Adsorption of Coalbed Methane Utilizing Carbon Nanotubes under the Condition of Liquid Water

Abstract:

The carbon nanotubes(CNTs) was described according to condensed-phase optimized molecular potentials and arranged to represent coal structures, while interaction of CNTs with gas components of the system involves the Van der Waals force. Thus, we are able to study the interaction ability between coal and gas in different cases through the binding energy calculated by molecular dynamic method. We find that when there was not liquid water, the adsorption capacity of coal bed methane gases on the surface of CNTs, in the order of magnitude, was CO₂>CH₄>N₂, and when there existed liquid water, the order of the adsorption capacity of gases changed into the order of N₂>CH₄>CO₂>H₂O. When there existed liquid water, the surface of CNTs may first absorb a very thin layer of methane molecules, and then a layer of water group, forming a layer of water film or water drops, providing large quantity of adsorption potential for the residual gases.

• Periodical: Advanced Materials Research (Volumes 616-618)
• Pages: 877-880
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.616-618.877
• Online since: December 2012
• Authors: Wan Song Zhang, Chang Jin Shao, Zhen Qing Yang, Jing Zhou
• Keywords: Adsorption, Carbon Nanotube (CN), Coalbed Methane (CBM), Liquid Water, Molecular Dynamic (MD)

References

[1] M.Maria, G.Hal and R.John: International Journal of Coal Geology. Vol. 60(2004) pp.43-45.

[2] I.Lukovits: J. Vibrational Spectroscopy. Vol. 1(1990) pp.135-137.

[3] P.D. Sun: Journal of Coal Science&Engineering. Vol. 7(2001) pp.58-63.

[4] H.Satya , K. P.Basanta and D.Pratik: J. Energy&Fuels. Vol.20(2006) pp.1591-1599.

[5] O.Ekrem and S.Karl : J. Energy&Fuels, Vol.23(2009) pp.2821-2831.

[6] S.X. Sang, Y.M. Zhu and J.Zhang : J. Chinese Science Bulletin. Vol.50(2005) pp.79-85.

[7] H.Kazemi : J. SPE 2153(1969) .

[8] H.Sun: Journal of Physical Chemistry B. 102(1998) pp.7338-7364.