Phase coexistence in a polydisperse charged hard-sphere fluid: Polymer mean spherical approximation

2005 ◽  
Vol 123 (12) ◽  
pp. 124501 ◽  
Author(s):  
Yurij V. Kalyuzhnyi ◽  
Gerhard Kahl ◽  
Peter T. Cummings
Keyword(s):  
Hard Sphere ◽  
Phase Coexistence ◽  
Spherical Approximation ◽  
Mean Spherical Approximation ◽  
Hard Sphere Fluid

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

Phase coexistence in polydisperse charged hard-sphere fluids: Mean spherical approximation

2004 ◽  
Vol 120 (21) ◽  
pp. 10133-10145 ◽  
Author(s):  
Yurij V. Kalyuzhnyi ◽  
Gerhard Kahl ◽  
Peter T. Cummings
Keyword(s):  
Hard Sphere ◽  
Phase Coexistence ◽  
Spherical Approximation ◽  
Mean Spherical Approximation

MODEL EQUATION OF STATE OF LIQUID C60 BASED ON HARD SPHERE–YUKAWA POTENTIAL

2006 ◽  
Vol 20 (23) ◽  
pp. 3373-3382 ◽  
Author(s):  
M. BAHAA KHEDR
Keyword(s):  
Computer Simulation ◽  
Equation Of State ◽  
Hard Sphere ◽  
Yukawa Potential ◽  
Coexistence Curve ◽  
Critical Parameters ◽  
Spherical Approximation ◽  
Mean Spherical Approximation ◽  
The Fourier Transform ◽  
New Equation

The series mean spherical approximation (SMSA) for the hard sphere–Yukawa (HSYK) fluid is applied to C 60. The energy and range parameters of HSYK potential have been reduced to one parameter by forcing the q→0 limit of the Fourier transform of the potential to be identical to that of the empirical potential of C 60. The new equation of state (EOS) allows us to investigate the liquid–vapor coexistence curve and calculate the thermodynamic properties of liquid C 60. The comparisons with computer simulation results suggest the importance of treating the attractive tail of the potential accurately. The estimated critical parameters Tc=1984.8 K , ρc=0.464 nm -3 and Pc=36.3 bar , which are in good agreement with NVT-Monte Carlo computer simulation predictions. The results are discussed by making reference to previous studies.

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