Mn. Lotfollahi et al., Integral equation study of the residual chemical potential in infinite-dilution supercritical solutions, CAN J CH EN, 78(6), 2000, pp. 1157-1167
A new method for solving the integral equation based on the Omstein-Zernike
equation for binary mixture is proposed. Then the radial distribution func
tion obtained for both the Percus-Yevick and the hypernetted chain closure
equations are used to calculate the residual chemical potential at infinite
-dilution and at reduced temperatures T* = 2, 1.5 (supercritical isotherms)
over a varying range of reduced densities rho* = 0.1 to 0.6 for various ty
pes of the Lennard-jones mixture in terms of size ratios D and energy ratio
s C. To examine the ability of the integral equation approach for the resid
ual chemical potential calculations, the results are compared with the Mont
e-Carlo simulation data and the van der Waals I results (Shing et al., 1988
). It is seen that at rho* = 0.1 to 0.5, the deviation of the integral equa
tion results from the MC simulation data is less than the reported statisti
cal fluctuation.