Freezing/melting of Lennard-Jones fluids in carbon nanotubes
Authors:
- F.R. Hung,
- K.E. Gubbins,
- R. Radhakrishnan,
- K. Szostak,
- F. B́guin,
- Grażyna Dudziak,
- Małgorzata Śliwińska-Bartkowiak
Abstract
We report molecular simulation and experimental results for the freezing/melting behavior of Lennard-Jones fluids adsorbed in pores of cylindrical geometry, using simple models for multiwalled carbon nanotubes (MWNTs) of inner diameter 5 nm. For cylindrical pores, our results for a D=9.7 σff MWNT show no formation of regular three-dimensional crystalline structures. They also suggest that the outer layers experience an increase in the freezing temperature, while the inner layers provoke a depression in the freezing temperature with respect to the bulk freezing point. Dielectric relaxation spectroscopy shows a solid-fluid transition at 234 K for CCl4 in these MWNTs that is in qualitative agreement with that determined in our simulations for the inner adsorbed layers. © 2005 American Institute of Physics.
- Record ID
- UAMc15b35ab30934945836f6ad697523133
- Author
- Journal series
- Applied Physics Letters, ISSN 0003-6951
- Issue year
- 2005
- Vol
- 86
- Pages
- 1-3
- ASJC Classification
- DOI
- DOI:10.1063/1.1862786 Opening in a new tab
- Language
- (en) English
- Score (nominal)
- 0
- Score source
- journalList
- Publication indicators
- = 16; = 15; : 2005 = 2.335; : 2006 (2 years) = 3.977 - 2007 (5 years) =4.068
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- Uniform Resource Identifier
- https://researchportal.amu.edu.pl/info/article/UAMc15b35ab30934945836f6ad697523133/
- URN
urn:amu-prod:UAMc15b35ab30934945836f6ad697523133
* presented citation count is obtained through Internet information analysis and it is close to the number calculated by the Publish or PerishOpening in a new tab system.