6533b83afe1ef96bd12a77ae
RESEARCH PRODUCT
Cluster Origin of Solvation Features of C-Nanostructures in Organic Solvents
Francisco TorrensGloria Castellanosubject
NanostructureSolvation shellComputational chemistryChemistrySolvationCluster (physics)description
The existence of fullerenes, Single-Wall Carbon Nanocones (SWNCs), especially Nanohorns (SWNHs), Single-Wall Carbon Nanotube (SWNT) (CNT) (NT), NT-Fullerene Bud (NT-BUD), Nanographene (GR) and GR-Fullerene Bud (GR-BUD) in cluster form is discussed in organic solvents. Theories are developed based on columnlet, bundlet and droplet models describing size-distribution functions. The phenomena present a unified explanation in the columnlet model in which free energy of cluster-involved GR comes from its volume, proportional to number of molecules n in cluster. Columnlet model enables describing distribution function of GR stacks by size. From geometrical considerations, columnlet (GR/GR-BUD), bundlet (SWNT/NT-BUD) and droplet (fullerene) models predict dissimilar behaviours. Interaction-energy parameters are derived from C60. An NT-BUD behaviour or further is expected. Solubility decays with temperature result smaller for GR/GR-BUD than SWNT/NT-BUD than C60 in agreement with lesser numbers of units in clusters. Discrepancy between experimental data of the heat of solution of fullerenes, CNT/NT-BUDs and GR/GR-BUDs is ascribed to the sharp concentration dependence of the heat of solution. Diffusion coefficient drops with temperature result greater for GR/GR-BUD than SWNT/NT-BUD than C60 corresponding to lesser number of units in clusters. Aggregates (C60)13, SWNT/NT-BUD7 and GR/GR-BUD3 are representative of droplet, bundlet and columnlet models.
year | journal | country | edition | language |
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2016-01-01 |