The direct correlation function in hard sphere fluids

1987 ◽  
Vol 87 (4) ◽  
pp. 2263-2270 ◽  
Author(s):  
R. D. Groot ◽  
J. P. van der Eerden ◽  
N. M. Faber
Keyword(s):  
Correlation Function ◽  
Hard Sphere ◽  
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

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

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

Decay of pair correlation functions

1977 ◽  
Vol 55 (9) ◽  
pp. 761-766 ◽  
Author(s):  
Yoshio Tago ◽  
William R. Smith
Keyword(s):  
Correlation Function ◽  
Correlation Length ◽  
Correlation Functions ◽  
Pair Correlation Function ◽  
Hard Sphere ◽  
Pair Correlation ◽  
Direct Correlation Function ◽  
Pair Correlation Functions ◽  
Hard Sphere Fluid

The decay equation, which determines the correlation length and the period of the pair correlation function of a fluid at large distances, is discussed using the Ornstein–Zernike equation when the direct correlation function vanishes rapidly at large distances. The decay equation is solved numerically using the exact hard sphere and sticky hard sphere fluid results from the Percus–Yevick approximation. In the case of the hard sphere fluid, oscillatory decay is always obtained. For the sticky hard sphere fluid, we obtain a locus both in the pressure–temperature plane and the density–temperature plane such that the decay is monotonic inside and oscillatory outside the locus.

scholarly journals Analysis of a First-order Perturbation Theory for the Direct Correlation Function of Dense Fluids

1972 ◽  
Vol 50 (19) ◽  
pp. 3135-3143
Author(s):  
S. W. Brelvi ◽  
J. P. O'Connell
Keyword(s):  
Correlation Function ◽  
Hard Sphere ◽  
Isothermal Compressibility ◽  
Critical Density ◽  
Pair Potential ◽  
Distribution Functions ◽  
Scattering Data ◽  
Intermolecular Potential ◽  
Sphere Diameter ◽  
Direct Correlation Function

An approximate expression for the direct correlation function of a real fluid in terms of its intermolecular potential and hard-sphere distribution functions is examined. Calculations for argon using the Percus–Yevick hard-sphere distribution functions are compared with molecular correlation functions from X-ray scattering data and the macroscopic integral of the correlation function related to the isothermal compressibility. The results are not satisfactory for any pair potential unless the parameters are made state dependent. However, since partial compensation occurs on integration, fairly good correlation of the isothermal compressibility can be obtained up to twice the critical density (except near the critical point itself) using Lennard–Jones (6–12) potential parameters obtained from second virial coefficient data and the Barker–Henderson hard-sphere diameter.

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