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С. Ю. Загинайченко, З. А. Матысина, Д. В. Щур
«Статистическая теория фото- и электрополимеризации фуллеренов»
731–745 (2012)

PACS numbers: 61.41.+e, 61.48.De, 64.70.pj, 64.75.Yz, 81.05.ub, 82.35.-x, 82.60.Lf

The statistical theory of phenomenon of fullerenes’ polymerization in molecular crystals of fullerite is developed. The free energies of fullerite phases and polymers’ mixture are calculated, using the method of average energies within the model of rigid units. The temperature of phase transition from the first phase to the second one is determined. The constitution diagram of states and phase transformations is plotted. The realization of phase transition at the sufficiently high temperatures is justified in accordance with experimental data. The calculation of temperature dependence of equilibrium concentration of fullerene trimers is carried out; the interpretation of peculiarities of such dependence is presented.