Frequency-dependent direct correlation function

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.

Download Full-text

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

The Journal of Chemical Physics ◽

10.1063/1.430345 ◽

1975 ◽

Vol 62 (11) ◽

pp. 4247-4259 ◽

Cited By ~ 58

Author(s):

Douglas Henderson ◽

George Stell ◽

Eduardo Waisman

Keyword(s):

Correlation Function ◽

Direct Correlation Function

Download Full-text

The Specific Heat of Liquid Metals

Zeitschrift für Naturforschung A ◽

10.1515/zna-1991-0507 ◽

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

Download Full-text

Solvation force in a hard-sphere fluid

Canadian Journal of Physics ◽

10.1139/p99-052 ◽

1999 ◽

Vol 77 (8) ◽

pp. 585-590 ◽

Cited By ~ 2

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

Download Full-text