Henry constant and isosteric heat at zero-loading for gas adsorption in carbon nanotubes

Do, D. D., Do, H. D., Wongkoblap, A. and Nicholson, D. (2008) Henry constant and isosteric heat at zero-loading for gas adsorption in carbon nanotubes. Physical Chemistry Chemical Physics, 10 48: 7293-7303. doi:10.1039/b809022j


Author Do, D. D.
Do, H. D.
Wongkoblap, A.
Nicholson, D.
Title Henry constant and isosteric heat at zero-loading for gas adsorption in carbon nanotubes
Journal name Physical Chemistry Chemical Physics   Check publisher's open access policy
ISSN 1463-9076
1463-9084
Publication date 2008-01-01
Year available 2008
Sub-type Article (original research)
DOI 10.1039/b809022j
Open Access Status Not Open Access
Volume 10
Issue 48
Start page 7293
End page 7303
Total pages 11
Place of publication Cambridge, United Kingdom
Publisher Royal Society of Chemistry
Language eng
Abstract The Henry constant and the isosteric heat of adsorption at zero loading in a carbon nanotube bundle are studied with Monte Carlo integration for the adsorption of gases over a range of temperatures. The spacing between nanotubes in a bundle is determined from the minimization of potential energy of interaction between these tubes. We study different tube configurations with bundles of 2, 3, 4 and 7 tubes. Depending on the configuration it is found that the spacing is of between 0.31 to 0.333 nm, and this falls within the range reported in the literature. The Henry constant has been carefully defined so that it will not become negative at high temperatures. This is done with the aid of accessible volume, rather than the usual absolute void volume. We show that linearity of the van't Ho. plot for the Henry constant is not strictly followed. Furthermore the slope of this plot is not equal to the isosteric heat of adsorption at zero loading, which is found to be a strong function of temperature. From the results we. found that the Henry constant and the heat of adsorption depend on the tube configuration. In general the adsorption in the cusp interstices is strongest followed by that inside the tube and. finally on the outer surface. However for very small tubes adsorption occurs inside the tube. first. For molecules with orientation, the behaviour is even more interesting and the shape of the isosteric heat versus temperature depends on the degree of orientation, tube configuration and the domain of adsorption (interstices, inside the tube and on the outer surface).
Keyword Chemistry, Physical
Physics, Atomic, Molecular & Chemical
Chemistry
Physics
CHEMISTRY, PHYSICAL
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collection: 2009 Higher Education Research Data Collection
 
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Created: Tue, 31 Mar 2009, 00:35:33 EST by Katherine Montagu on behalf of School of Chemical Engineering