Thermodynamic study of the formation of C{sub 60} and C{sub 70} by combustion or pyrolysis
- Ecole Nationale Superieure de Chimie, Toulouse (France). Lab. Interfaces et Materiaux
- Univ. of Strathclyde, Glasgow (United Kingdom). Dept. of Pure and Applied Chemistry
An assessment of the available thermodynamic data of gaseous and condensed fullerene C{sub 70} is presented. Gibbs energy minimization of the gaseous C-H-O-Ar chemical system, including large polyaromatic hydrocarbons and the fullerenes C{sub 60} and C{sub 70}, helps to determine under which conditions C{sub 60} and C{sub 70} molecules are stable. The influence of the addition of halogen atoms in the gas phase on the improvement of the yield of these two fullerenes in different conditions is investigated by minimizing the Gibbs energy of the gaseous C-H-F-O-Ar chemical system. The evolution of the yields of the two fullerenes, and of the C{sub 70}/(C{sub 70} + C{sub 60}) ratio as a function of temperature, pressure, and C/H ratio in the reactants is illustrated and compared with corresponding experimental information from a literature review. In the light of these calculations, the possibility of the direct production of fullerene films containing variable amounts of C{sub 60} and C{sub 70} by a continuous process such as combustion or pyrolysis is discussed.
- OSTI ID:
- 680055
- Journal Information:
- Journal of the Electrochemical Society, Journal Name: Journal of the Electrochemical Society Journal Issue: 7 Vol. 146; ISSN JESOAN; ISSN 0013-4651
- Country of Publication:
- United States
- Language:
- English
Similar Records
Production of C{sub 60} and C{sub 70} fullerenes in benzene-oxygen flames
Theoretical study of Diels-Alder cycloadditions of butadiene to C{sub 70}. An insight into the chemical reactivity of C{sub 70} as compared to C{sub 60}