Iv. Makeeva et al., ISOTHERMAL COMPRESSIBILITY AND CORRELATION RADIUS NEAR THE CRITICAL-POINT - NUMERICAL-ANALYSIS OF THE ORNSTEIN-ZERNIKE EQUATION, Journal of structural chemistry, 36(5), 1995, pp. 725-733
Solution of the Ornstein-Zernike equation is analyzed numerically in t
he Percus-Yevick and hyperchain approximations for a system of Lennard
-Jones particles in a critical region. The temperature dependences of
correlation functions, isothermal compressibility chi, and correlation
radius of density fluctuations xi are investigated at a critical dens
ity; the corresponding critical indices are determined It is shown tha
t 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 appr
oximate to 5% deviations from the critical temperatute, the calculated
and experimental values of chi and critical indices are in good agree
ment.