Journal
INTERNATIONAL JOURNAL OF THERMOPHYSICS
Volume 22, Issue 3, Pages 943-956Publisher
KLUWER ACADEMIC/PLENUM PUBL
DOI: 10.1023/A:1010791402990
Keywords
fullerene C-60 aqueous solution; IR and electronic absorption spectra; molecular dynamics approach; thermophysical properties
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The structure and thermophysical properties of fullerene C-60 aqueous solutions were investigated both experimentally and theoretically. The aggregation kinetics results indicated that the structure of fullerene C-60 aggregates in water could be described as a fractal system. The IR and electronic absorption spectra obtained confirm the presence of the crystalline phase in aqueous solution. The numerical values of thermodynamic coefficients alpha (P), beta (T), beta (S), c(P), and c(V), and sound velocity were determined from the measured (P-V-T) data. The vibrational spectrum of the crystalline structure (Th symmetry group) formed from the hydrated single fullerene C-60 molecules in aqueous solutions was calculated using the molecular dynamics approach.
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