Abstract
Solution of the Ornstein-Zernike equation is analyzed numerically in the Percus-Yevick and hyperchain approximations for a system of Lennard-Jones particles in a critical region. The temperature dependences of correlation functions, isothermal compressibility η, and correlation radius of density fluctuations ζ are investigated at a critical density; the corresponding critical indices are determined. It is shown that the Percus-Yevick approximation yields satisfactory results when the correlation functions are calculated within a range corresponding to approximately 50 atomic (molecular) diameters. In this case, with ≈5% deviations from the critical temperature, the calculated and experimental values of η and critical indices are in good agreement.
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Additional information
Tver State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 36, No. 5, pp. 799–807, September–October, 1995.
Translated by I. Izvekova
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Makeeva, I.V., Kokacheva, V.G., Talitskikh, S.K. et al. Isothermal compressibility and correlation radius near the critical point: Numerical analysis of the Ornstein-Zernike equation. J Struct Chem 36, 725–733 (1995). https://doi.org/10.1007/BF02579662
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DOI: https://doi.org/10.1007/BF02579662