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

EQUATION OF STATE AND FREEZING OF GMSA HARD SPHERES

2003 ◽  
Vol 17 (31n32) ◽  
pp. 6057-6065 ◽  
Author(s):  
M. MORADI ◽  
H. SHAHRI
Keyword(s):  
Equation Of State ◽  
Hard Sphere ◽  
Density Functional ◽  
Hard Spheres ◽  
Spherical Approximation ◽  
Mean Spherical Approximation ◽  
Direct Correlation Function ◽  
Generalized Mean ◽  
Simulation Results ◽  
Good Agreement

The modified-weighted-density-functional approximation (MWDA) proposed by Denton and Ashcroft, is applied to study the equation of sate and freezing of the hard spheres using the generalized mean spherical approximation (GMSA) direct correlation function (DCF). Because of the attractive tail in the DCF, the perturbation method similar to that introduced by Yoon and Kim is applied. The free energy, freezing parameters and the equation of state of the hard sphere FCC crystal are obtained. The results are compared with some other previous theories and Monte Carlo simulation. Our results are in good agreement with the simulation results.

Structure factor and direct correlation function for a classical hard sphere fluid

1967 ◽  
Vol 297 (1450) ◽  
pp. 336-350 ◽  
Keyword(s):  
Correlation Function ◽  
Structure Factor ◽  
Hard Sphere ◽  
Hard Core ◽  
Liquid Argon ◽  
General Character ◽  
Exact Results ◽  
Direct Correlation Function ◽  
Hard Sphere Fluid

Calculations are reported here of the structure factor S(k) and the direct correlation function C(k) = 1 - S -1 for a classical hard sphere fluid. Exact results are presented to order of the cube in the density ρ and are compared with the results of the various approximate theories, namely the Born-Green, the Percus-Yevick, and the hyperchain. The results have the general character of the observed scattering from liquid argon, though some corrections are required to account for the form of the interaction beyond the hard core.

Direct correlation function: Hard sphere fluid

1975 ◽  
Vol 63 (2) ◽  
pp. 601-607 ◽  
Author(s):  
Douglas Henderson ◽  
E. W. Grundke
Keyword(s):  
Correlation Function ◽  
Hard Sphere ◽  
Direct Correlation Function ◽  
Hard Sphere Fluid
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