Molecular interactions in fullerenes and equilibrium of higher fullerites C76 and C84 with their vapors

From simple topological considerations on the molecular shapes, a new method for calculating the coefficients of the Girifalco intermolecular potential for various fullerenes is proposed. This eliminates the necessity for fitting the coefficients to data of measurements for each specific fullerene. We calculate them for C76 and C84 and apply this potential to perform research on the equilibrium of these fullerites with their vapors. The temperature dependence of the lattice parameters, the saturated vapor pressures and the enthalpies of sublimation is studied. Results are in good agreement with available experimental data.

Авторы
Редакторы
-
Издательство
Springer New York
Номер выпуска
4
Язык
Английский
Страницы
629-633
Статус
Опубликовано
Подразделение
-
Номер
-
Том
17
Год
2000
Организации
  • 1 Department of Theoretical Physics, People's Friendship University, Moscow, Russian Federation
  • 2 Instituto de Física, Universidade Federal de Goiás, Goiânia - GO, Brazil
Ключевые слова
34.20.Gj Intermolecular and atom-molecule potentials and forces; 61.48.+c Fullerenes and fullerene-related materials; 64.70.Hz Solid-vapor transitions
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/427/