Comparative Thermodynamic Analysis of the Behavior of C₆₀ and C₂₈ Fullerenes when Heated in an Inert Medium

Abstract:

The structural changes of condensed fullerenes C₆₀ and C₂₈ at a temperature increase from 200 K to 2000 K have been studied by computational methods using the TERRA software for carbon-argon systems. The processes of destruction of fullerenes C₆₀ and C₂₈ molecules are presented, and the temperature ranges of their thermal stability are determined: up to 1000 K and up to 400 K, respectively. The following thermophysical parameters of the C₆₀-Ar and C₂₈-Ar systems are considered: specific volume, entropy, total enthalpy, total internal energy, equilibrium specific heat, molar mass of the gas phase, gas constant, and mass fraction of the condensed phase. A comparative analysis of their changes with increasing temperature is carried out. The results obtained in the course of thermodynamic modeling are similar to the results of a full-scale experiment conducted under similar conditions. In the future, the obtained data can be used to determine the explosive and fire-hazardous properties of fullerenes as a dispersed solid.

• Periodical: Key Engineering Materials (Volume 854)
• Pages: 151-157
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.854.151
• Online since: July 2020
• Authors: Nikolay M. Barbin, Vasiliy P. Dan*, Dmitriy I. Terentyev, Sergey G. Alexeev
• Keywords: Destruction, Fullerene, Heating, Sublimation, Thermodynamic Modeling

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DOI: 10.1016/j.matpr.2018.08.007

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