ISOTHERMAL COMPRESSIBILITY AND CORRELATION RADIUS NEAR THE CRITICAL-POINT - NUMERICAL-ANALYSIS OF THE ORNSTEIN-ZERNIKE EQUATION

Citation
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
Citations number
13
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
ISSN journal
00224766
Volume
36
Issue
5
Year of publication
1995
Pages
725 - 733
Database
ISI
SICI code
0022-4766(1995)36:5<725:ICACRN>2.0.ZU;2-O
Abstract
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.