Integral equation study of the residual chemical potential in infinite-dilution supercritical solutions

Citation
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
Citations number
15
Categorie Soggetti
Chemical Engineering
Journal title
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
ISSN journal
00084034 → ACNP
Volume
78
Issue
6
Year of publication
2000
Pages
1157 - 1167
Database
ISI
SICI code
0008-4034(200012)78:6<1157:IESOTR>2.0.ZU;2-D
Abstract
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.