An analysis of the existing approximations used for describing the dependence of heat capacity at a constant volume on the temperature of a molecular crystal has been carried out. It is shown that the considered Debye and Einstein approximations do not enable one to adequately describe the dependence of heat capacity at a constant volume on the temperature of the molecular crystals of nitro compounds. This inference requires the development of special approximations that would describe both low-frequency and high-frequency parts of the vibrational spectra of molecular crystals. This work presents a universal dependence allowing one to describe the dependence of heat capacity at a constant volume on temperature for a number of molecular crystals of nitro compounds.
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V. F. Kuropatenko is deceased.
Translated from Inzhenerno-Fizicheskii Zhurnal, Vol. 91, No. 2, pp. 297–306, March–April, 2018.
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Kovalev, Y.M., Kuropatenko, V.F. Determination of the Temperature Dependence of Heat Capacity for Some Molecular Crystals of Nitro Compounds. J Eng Phys Thermophy 91, 278–287 (2018). https://doi.org/10.1007/s10891-018-1747-6
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DOI: https://doi.org/10.1007/s10891-018-1747-6