Please use this identifier to cite or link to this item: https://doi.org/10.1021/jp060213w
Title: Pore size or geometry: Which determines the shape and inverse-shape selective adsorption of alkane isomers?
Authors: Jiang, J. 
Issue Date: 4-May-2006
Citation: Jiang, J. (2006-05-04). Pore size or geometry: Which determines the shape and inverse-shape selective adsorption of alkane isomers?. Journal of Physical Chemistry B 110 (17) : 8670-8673. ScholarBank@NUS Repository. https://doi.org/10.1021/jp060213w
Abstract: The adsorption of pure pentane (C5) isomers and their ternary mixture is simulated in a series of carbon nanoslits. With decreasing nanoslit pore size, shape selective adsorption first occurs in the order of nC 5 ≥ iC5 > neoC5 due to the configurational entropy effect, then inverse-shape selective adsorption occurs in the order of nC5 < iC5 ≤ neoC5 due to the area entropy effect, and finally no adsorption occurs. The entropy effects lead to a large adsorptive separation among the C5 isomers from their mixture. Similar behavior has been observed from the simulation of C 5 adsorption in carbon nanotubes with variation in pore size. These results reveal that pore size rather than geometry determines the shape and inverse-shape selective adsorption of alkane isomers in nanopores. © 2006 American Chemical Society.
Source Title: Journal of Physical Chemistry B
URI: http://scholarbank.nus.edu.sg/handle/10635/89862
ISSN: 15206106
DOI: 10.1021/jp060213w
Appears in Collections:Staff Publications

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