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Molecular-Kinetic Theory of Phase Transitions in Crystals of Fluorofullerenes C60F48→C60F36 and Their Heat Capacity

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Carbon Nanomaterials in Clean Energy Hydrogen Systems - II

Part of the book series: NATO Science for Peace and Security Series C: Environmental Security ((NAPSC,volume 2))

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Abstract

The theory of phase transition of order-disorder type on the molecular-kinetic grounds has been developed for the mixture of fluorofullerenes C60F48, C60F36: transition from the ordered body-centered tetragonal (bct) structure to the disordered face-centered cubic (fcc) structure. The free energies of these phases have been found, their dependence on temperature, composition of material, the degree of ordering and energetic constants has been determined. The temperature of transition between phases has been calculated. The constitution diagram has been constructed and it defines the temperature and concentration areas of bct, fcc phases formation and also the region of realization of both bct and fcc phases. The configuration heat capacity of bct phase and its temperature dependence Cp(T) has been defined. The peak-shaped increase of heat capacity in the neighbourhood of the temperature of phase transition has been estimated and this is in agreement with experimental data.

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Authors and Affiliations

  1. Institute for Problems of Materials Science of NAS of Ukraine, Krzhyzhanovsky Str. 3, 03142, Kiev, Ukraine

    S. Yu. Zaginaichenko, D. V. Schur & M. M. Diviziniuk

  2. Dnepropetrovsk National University, 72 Gagarin Str., 49000, Dnepropetrovsk, Ukraine

    Z. A. Matysina

Authors
  1. S. Yu. Zaginaichenko
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  2. D. V. Schur
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  3. M. M. Diviziniuk
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  4. Z. A. Matysina
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Corresponding author

Correspondence to S. Yu. Zaginaichenko .

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Editors and Affiliations

  1. , Institute of Hydrogen and Solar Energy, Ukrainian Academy of Sciences, Krzhyzhanovsky str. 3, Kiev, 03150, Ukraine

    Svetlana Yu. Zaginaichenko

  2. , Inst. for Problems of Materials Science, Ukrainian Academy of Sciences, Krzhyzhanovsky str. 3, Kiev, 03150, Ukraine

    Dmitry V. Schur

  3. , Inst. for Problems of Materials Science, Ukrainian Academy of Sciences, Krzhyzhanovsky str. 3, Kiev, 03142, Ukraine

    Valeriy V. Skorokhod

  4. International Association for Hydrogen E, University of Miami, 5794 SW 40 St. # 303, Miami, 33155, Florida, USA

    Ayfer Veziroglu

  5. , Department of Mechanical Engineering, Gazi University, Yukselis Street 5, Ankara, Turkey

    Beycan İbrahimoğlu

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Zaginaichenko, S.Y., Schur, D.V., Diviziniuk, M.M., Matysina, Z.A. (2011). Molecular-Kinetic Theory of Phase Transitions in Crystals of Fluorofullerenes C60F48→C60F36 and Their Heat Capacity. In: Zaginaichenko, S., Schur, D., Skorokhod, V., Veziroglu, A., İbrahimoğlu, B. (eds) Carbon Nanomaterials in Clean Energy Hydrogen Systems - II. NATO Science for Peace and Security Series C: Environmental Security, vol 2. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-0899-0_18

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