Condensed Matter Physics, 2012, vol. 15, No. 2, p. 23003:1-14
Simplified exponential approximation for thermodynamics of a hard-core repulsive Yukawa fluid
(Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville TN, USA; Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii Str., 79011 Lviv, Ukraine)
(Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, 1 Svientsitskii Str., 79011 Lviv, Ukraine)
Exponential approximation based on the first order mean spherical approximation (FMSA) is applied to the study of the structure and thermodynamics of hard-core repulsive Yukawa fluids. The proposed theory utilizes an exponential enhancement of the analytical solution of the FMSA due to Tang and Lu [J. Chem. Phys., 1993, 99, 9828] for the radial distribution function. From comparison with computer simulation data we have shown that at low density and low temperature conditions, where original FMSA theory fails, the FMSA-based exponential theory predicts a significant improvement.
repulsive Yukawa fluid, first order mean spherical approximation, exponential approximation, Monte Carlo simulations