Free energy of solvation of carbon nanotubes in pyridinium-based ionic liquids

Free energy of solvation of carbon nanotubes in pyridinium-based ionic liquids

Author Chaban, Vitaly V. Autor UNIFESP Google Scholar
Fileti, Eudes Eterno Autor UNIFESP Google Scholar
Abstract Numerous prospective applications require the availability of individual carbon nanotubes (CNTs). Pristine CNTs, strongly hydrophobic in nature, are known to be either totally insoluble or poorly dispersible. While it is unlikely to be possible to prepare a real solution of CNTs in any solvent, the ability of certain solvents to maintain dispersions of CNTs for macroscopic times constitutes great research interest. In the present work, we characterize two pyridinium-based ionic liquids (ILs), N-butylpyridinium chloride [BPY][Cl] and N-butylpyridinium bis(trifluoromethanesulfonyl) imide [BPY][TFSI], with respect to their potential to solvate CNTs of different diameters, from the CNT (10,10) to the CNT (25,25). Using a universal methodology, we found that both ILs exhibit essentially the same solvation performance. Solvation of CNTs is strongly prohibited entropically, whereas the energy penalty increases monotonically with the CNT diameter. Weak van der Waals interactions, which guide enthalpy alteration upon the CNT solvation, are unable to compensate for the large entropic penalty from the destruction of the IL-IL electrostatic interactions. The structure of ILs inside and outside CNTs is also discussed. The reported results are necessary for gaining a fundamental understanding of the CNT solvation problems, thereby inspiring the search for more suitable solvents.
Language English
Sponsor FAPESP
CAPES
CNPq
Date 2016
Published in Physical Chemistry Chemical Physics. Cambridge, v. 18, n. 30, p. 20357-20362, 2016.
ISSN 1463-9076 (Sherpa/Romeo, impact factor)
Publisher Royal Soc Chemistry
Extent 20357-20362
Origin http://dx.doi.org/10.1039/c6cp03497g
Access rights Closed access
Type Article
Web of Science ID WOS:000381428600039
URI http://repositorio.unifesp.br/handle/11600/51170

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