Abstract
The continuum quasichemical approximation is used to improve the accuracy of describing molecular distributions in a vapor–liquid system. It considers displacements of the molecular center of mass from the center of a cell within the lattice gas model. It also allows for (as in its discrete variant) direct correlations of interacting molecules. The probability density of a molecule being inside the cell is used as a continuous function of its coordinate. An algorithm for solving a system of integral equations is developed with respect to the pair distribution function. The effect the continuum description of the particle distribution has on the concentration dependences of the main thermodynamic functions is investigated. The approach is shown to explain the concentration dependence of the parameter of effective lateral interaction.
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This work was supported by the Russian Foundation for Basic Research, project no. 18-03-00030a.
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Translated by L. Chernikova
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Votyakov, E.V., Tovbin, Y.K. The Continuum Quasichemical Approximation in Vapor–Liquid Systems. Russ. J. Phys. Chem. 94, 1732–1737 (2020). https://doi.org/10.1134/S0036024420080324
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DOI: https://doi.org/10.1134/S0036024420080324