The direct correlation function for the hard‐core potentials

1984 ◽  
Vol 25 (3) ◽  
pp. 494-498 ◽  
Author(s):  
Konstanty Mazuruk
Keyword(s):  
Correlation Function ◽  
Hard Core ◽  
Direct Correlation Function

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

SQUARE-WELL FLUID AT LOW DENSITIES

1967 ◽  
Vol 45 (12) ◽  
pp. 3959-3978 ◽  
Author(s):  
J. A. Barker ◽  
D. Henderson
Keyword(s):  
Distribution Function ◽  
Correlation Function ◽  
Critical Temperature ◽  
Radial Distribution Function ◽  
Radial Distribution ◽  
Virial Coefficients ◽  
Hard Core ◽  
Direct Correlation Function ◽  
Virial Series ◽  
Square Well

Values for the radial distribution function and the direct correlation function at low densities and for the first five virial coefficients are obtained for a fluid of molecules interacting according to the square-well potential when the width of the attractive well is half the radius of the hard core. It is found that the higher-order coefficients are surprisingly large and, as a result, the virial series fails to converge even at temperatures and volumes significantly greater than the critical temperature and volume. Comparisons of these exact virial coefficients with those given by several approximate theories are made. Values are also given for the first five virial coefficients when the width of the attractive well is equal to the radius of the hard core.

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.

The gas-liquid surface of the penetrable sphere model. II

1978 ◽  
Vol 358 (1694) ◽  
pp. 267-280 ◽  
Keyword(s):  
Surface Tension ◽  
Correlation Function ◽  
Liquid Surface ◽  
Mean Field ◽  
Field Approximation ◽  
Mean Field Approximation ◽  
Intermolecular Potential ◽  
Direct Correlation Function ◽  
Sphere Model ◽  
One Dimensional

The direct correlation function between two points in the gas-liquid surface of the penetrable sphere model is obtained in a mean-field approximation. This function is used to show explicitly that three apparently different ways of calculating the surface tension all lead to the same result. They are (1) from the virial of the intermolecular potential, (2) from the direct correlation function, and (3) from the energy density. The equality of (1) and (2) is shown analytically at all temperatures 0 < T < T c where T c is the critical temperature; the equality of (2) and (3) is shown analytically for T ≈ T c , and by numerical integration at lower temperatures. The equality of (2) and (3) is shown analytically at all temperatures for a one-dimensional potential.

Ornstein–Zernike equation for the direct correlation function with a Yukawa tail

1975 ◽  
Vol 62 (11) ◽  
pp. 4247-4259 ◽  
Author(s):  
Douglas Henderson ◽  
George Stell ◽  
Eduardo Waisman
Keyword(s):  
Correlation Function ◽  
Direct Correlation Function

The Specific Heat of Liquid Metals

1991 ◽  
Vol 46 (5) ◽  
pp. 416-418
Author(s):  
K. N. Khanna ◽  
Abdul Quayoum
Keyword(s):  
Correlation Function ◽  
Specific Heat ◽  
Reference System ◽  
Hard Sphere ◽  
Random Phase Approximation ◽  
Liquid Metals ◽  
Random Phase ◽  
Direct Correlation Function ◽  
Phase Approximation ◽  
Semi Empirical

AbstractThe specific heat of liquid metals is calculated using a fluid of Percus-Yevick plus tail as a reference system together with the Cumming potential in a random-phase approximation. It is shown that the improved semi-empirical hard sphere direct correlation function proposed by Colot et al. leads to a drastic improvement of Cp values over the HS model

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