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Fundamentals of the theory of melting of simple substances with consideration of their defects

  • Chemical Thermodynamics and Thermochemistry
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Abstract

Molecular principles of the theory of melting of simple substances are considered with regard to defects caused by vacancies. Equations are derived for the chemical potential of atoms in a defective crystal with allowance for their vibrational motion, enabling the determination of coexisting phases (solid-vapor or solid-liquid) from the condition of the equality of chemical potentials. All three aggregate states of matter are described within a unified molecular approach: a lattice gas model. This makes it possible to combine a description of a cell filling with liquid, or vapor and a solid with phase differences in these states during the cell filling. N.N. Bogolyubov’s concept of quasi-averages, from which the degeneration of the density distribution function in space is removed, is applied to describe the crystals. Questions as to the minimum size of the phase corresponding to the concept of quasi-averages and the criteria for the transition of a defective crystal to the frozen state are discussed.

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Authors and Affiliations

  1. Karpov Institute of Physical Chemistry, Moscow, 105064, Russia

    Yu. K. Tovbin

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  1. Yu. K. Tovbin
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Original Russian Text © Yu.K. Tovbin, 2013, published in Zhurnal Fizicheskoi Khimii, 2013, Vol. 87, No. 7, pp. 1097–1105.

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Tovbin, Y.K. Fundamentals of the theory of melting of simple substances with consideration of their defects. Russ. J. Phys. Chem. 87, 1083–1091 (2013). https://doi.org/10.1134/S0036024413070340

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  • DOI: https://doi.org/10.1134/S0036024413070340

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