Effects of surface curvature and surface strength on argon adsorption in carbon nanotubes at temperatures below the triple point

Liu, Zhongjun, Do, D. D., Nicholson, D. and Xi, Zhengping (2010) Effects of surface curvature and surface strength on argon adsorption in carbon nanotubes at temperatures below the triple point. Adsorption Science and Technology, 28 7: 561-577. doi:10.1260/0263-6174.28.7.561


Author Liu, Zhongjun
Do, D. D.
Nicholson, D.
Xi, Zhengping
Title Effects of surface curvature and surface strength on argon adsorption in carbon nanotubes at temperatures below the triple point
Journal name Adsorption Science and Technology   Check publisher's open access policy
ISSN 0263-6174
2048-4038
Publication date 2010-08
Sub-type Article (original research)
DOI 10.1260/0263-6174.28.7.561
Open Access Status
Volume 28
Issue 7
Start page 561
End page 577
Total pages 17
Place of publication Brentwood, Essex, United Kingdom
Publisher Multi-Science Publishing
Abstract This paper describes an investigation of argon adsorption into carbon nanotubes at temperatures below the triple point, using a grand canonical Monte Carlo simulation to study the effects of confinement and surface strength on the 2D transition. In large pores, it was found that 2D transitions can occur in more than one layer, but are absent in higher layers for small pores. The 2D critical temperature of the first layer for a small pore (R = 1.2 nm) was found to be ca. 66 K (MWCNT) and 65 K (SWCNT), compared to 55–59 K observed experimentally for a flat graphite surface. This is because of the overlapping effects due to the surface curvature or the confinement in a carbon nanotube. Assuming a weaker carbon surface by reducing the graphene surface strength by 40% for SWCNT, the 2D critical temperature was only modestly reduced to 63 K. This suggests that the experimental data at 59 K might be attributed to other factors, other than confinement effects. An imperfect surface is suggested and, employing 5% defects on this surface, the 2D critical temperature has been determined as 58 K which is in better agreement with the experimental value of 59 K.
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collection: School of Chemical Engineering Publications
 
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