Please use this identifier to cite or link to this item:
Title: Capillary phase transitions of linear and branched alkanes in carbon nanotubes from molecular simulation
Authors: Jiang, J. 
Sandler, S.I.
Issue Date: 15-Aug-2006
Citation: Jiang, J., Sandler, S.I. (2006-08-15). Capillary phase transitions of linear and branched alkanes in carbon nanotubes from molecular simulation. Langmuir 22 (17) : 7391-7399. ScholarBank@NUS Repository.
Abstract: Capillary phase transitions of linear (from C 1 to C 12) and branched (C 5 isomers) alkanes in single-walled carbon nanotubes have been investigated using the gauge-cell Monte Carlo simulation. The isotherm at a supercritical temperature increases monotonically with chemical potential and coincides with that from the traditional grand canonical Monte Carlo simulation, whereas the isotherm at a subcritical temperature exhibits a sigmoid van der Waals loop including stable, metastable, and unstable regions. Along this loop, the coexisting phases are determined using an Maxwell equal-area construction. A generic confinement effect is found that reduces the saturation chemical potential, lowers the critical temperature, increases the critical density, and shrinks the phase envelope. The effect is greater in a smaller diameter nanotube and is greater in a nanotube than in a nanoslit. © 2006 American Chemical Society.
Source Title: Langmuir
ISSN: 07437463
DOI: 10.1021/la0608720
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.


checked on Mar 25, 2019


checked on Mar 25, 2019

Page view(s)

checked on Mar 16, 2019

Google ScholarTM



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.