This paper presents the form of the equations of state of molecular crystals of nitro compounds constructed on the basis of dividing Helmholtz free energy into an intramolecular and an intermolecular components. This division enabled us to determine the form of the Grüneisen equation for molecular crystals, the volume dependence of the Grüneisen coefficient, and the temperature dependence on the volumetric expansion coefficient. Comparative analysis of the calculated and experimental values of volumes of elementary cells of triaminotrinitrobenzene crystals depending on the temperature has shown their fair agreement.
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Translated from Inzhenerno-Fizicheskii Zhurnal, Vol. 91, No. 6, pp. 1653–1663, November–December, 2018.
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Kovalev, Y.M. Determination of the Temperature Dependence of the Isobaric Volumetric Expansion Coefficient for Certain Molecular Crystals of Nitro Compounds. J Eng Phys Thermophy 91, 1573–1582 (2018). https://doi.org/10.1007/s10891-018-1895-8
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DOI: https://doi.org/10.1007/s10891-018-1895-8