Condensed Matter Physics, 2012, vol. 15, No. 2, p. 23003:114
DOI:10.5488/CMP.15.23003
arXiv:1207.2975
Title:
Simplified exponential approximation for thermodynamics of a hardcore repulsive Yukawa fluid
Author(s):

S. Hlushak
(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)
,


A. Trokhymchuk
(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 hardcore 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 FMSAbased exponential theory predicts a significant improvement.
Key words:
repulsive Yukawa fluid, first order mean spherical approximation, exponential approximation, Monte Carlo simulations
PACS:
01.65.Q
