Equations of State to Describe Isothermal Compression of Certain Molecular Nitro Compound Crystals

• Published in: Journal of engineering physics and thermophysics Vol. 93; no. 1; pp. 223 - 233
• Main Author: Kovalev, Yu. M.
• Format: Journal Article
• Language: English
• Published: New York Springer US 2020; Springer
• Subjects: Classical Mechanics; Complex Systems; Engineering; Engineering Thermodynamics; Heat and Mass Transfer; Industrial Chemistry/Chemical Engineering; Thermodynamics; Thermophysical Properties; isothermal compression; equation of state; characteristic Debye temperature; molecular crystal; Helmholtz energy; Debye approximation; Grüneisen coefficient
• ISSN: 1062-0125; 1573-871X
• DOI: 10.1007/s10891-020-02112-9

An approach to constructing semiempirical equations of state of molecular crystals of nitro compounds is suggested allowing one to describe isothermal compression of the crystal of triaminotrinitrobenzene (1,3,5-triamino-2,4,6- trinitrobenzene) by the familiar modulus of three-dimensional compression and sublimation heat of the crystal obtained from experiments not related to isothermal compression. A comparative analysis of experimental data on isothermal compression of the molecular crystal of triaminotrinitrobenzene and calculations by the proposed equation of state have shown that the experimental and calculated values of pressure are within the limits of experimental uncertainty.