Molecular dynamics and mean spherical approximation results for symmetric nonadditive hard core Yukawa mixtures

1994 ◽  
Vol 100 (1) ◽  
pp. 560-565 ◽  
Author(s):  
C. Rey ◽  
L. E. González ◽  
L. J. Gallego ◽  
D. J. González
Keyword(s):  
Molecular Dynamics ◽  
Hard Core ◽  
Spherical Approximation ◽  
Mean Spherical Approximation

A study of binary hard core Yukawa mixtures by molecular dynamics and the mean spherical approximation

1992 ◽  
Vol 97 (7) ◽  
pp. 5121-5125 ◽  
Author(s):  
C. Rey ◽  
L. J. Gallego ◽  
L. E. González ◽  
D. J. González
Keyword(s):  
Molecular Dynamics ◽  
Hard Core ◽  
Spherical Approximation ◽  
Mean Spherical Approximation ◽  
The Mean

Solvation force in a hard-sphere fluid

1999 ◽  
Vol 77 (8) ◽  
pp. 585-590 ◽  
Author(s):  
M Moradi ◽  
M Kavosh Tehrani
Keyword(s):  
Correlation Function ◽  
Hard Sphere ◽  
Hard Core ◽  
Spherical Approximation ◽  
Mean Spherical Approximation ◽  
Direct Correlation Function ◽  
Functional Theory ◽  
Hard Sphere Fluid ◽  
Generalized Mean ◽  
Simulation Results

The solvation force in a hard-sphere fluid is obtained by the denisty functional theory proposed by Rickayzen and Augousti. The direct correlation function (DCF) with the tail introduced by Tang and Lu is used. This DCF (hereafter TL DCF ) is postulated to hold the Yukawa form outside the hard core; and the generalized mean spherical approximation (GMSA) approach has been applied. The results are compared with those obtained by using the Percus-Yevick (PY) DCF. These results are also compared with those of Monte Carlo simulations. At low densities and fairly high densities the results are in agreement. But at high densities there is more oscillation in the solvation force obtained by using TL DCF in comparison with the PY DCF. There are no simulation results at high densities to be compared with these results.PACS No. 61.20

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