Static structure factor for a colloidal dispersion with size and “charge” polydispersities: Mean spherical approximation model in hard-sphere Yukawa fluids

1999 ◽  
Vol 59 (2) ◽  
pp. 2060-2066 ◽  
Author(s):  
M. Ginoza ◽  
M. Yasutomi
Keyword(s):  
Structure Factor ◽  
Hard Sphere ◽  
Colloidal Dispersion ◽  
Spherical Approximation ◽  
Mean Spherical Approximation ◽  
Static Structure Factor ◽  
Approximation Model ◽  
Static Structure

Spherical harmonic projections of the static structure factor of the dipolar hard sphere model: Theory vs simulations

2020 ◽  
Vol 152 (20) ◽  
pp. 204501 ◽  
Author(s):  
Luis F. Elizondo-Aguilera ◽  
Ernesto C. Cortés-Morales ◽  
Pablo F. Zubieta-Rico ◽  
Magdaleno Medina-Noyola ◽  
Ramón Castañeda-Priego ◽  
...  
Keyword(s):  
Model Theory ◽  
Structure Factor ◽  
Spherical Harmonic ◽  
Hard Sphere ◽  
Hard Sphere Model ◽  
Static Structure Factor ◽  
Sphere Model ◽  
Static Structure

DENSITY FUNCTIONAL THEORY AND FREEZING OF HARD SPHERES, BEYOND THE PERCUS–YEVICK APPROXIMATION

2007 ◽  
Vol 21 (07) ◽  
pp. 1089-1098 ◽  
Author(s):  
M. MORADI ◽  
A. RAZEGHIZADEH
Keyword(s):  
Density Functional Theory ◽  
Monte Carlo ◽  
Structure Factor ◽  
Hard Sphere ◽  
Density Functional ◽  
Hard Spheres ◽  
Spherical Approximation ◽  
Mean Spherical Approximation ◽  
Functional Theory ◽  
Weighted Density Approximation

The density functional theory for the freezing hard spheres is studied. We use a variety of the hard sphere direct correlation functions (DCFs) such as the one introduced by Roth et al. [J. Phys. Condens. Matter14, 12063 (2002)]; we call it RELK DCF, a new hard sphere DCF developed here by a combination of the RELK and the Percus–Yevick DCFs, and finally the generalized mean spherical approximation (GMSA). The structure factor, the freezing, and order parameters are calculated using these DCFs. The structure factor obtained by the new DCF is in good agreement with the Monte Carlo simulation. The best result for the freezing parameters in comparison with the Monte Carlo simulations is obtained by using our new expression for the DCF. Finally we obtain the Helmholtz free energy of the hard sphere FCC crystals using modified weighted density approximation (MWDA), and again the best results are obtained by using the new expression for the hard sphere DCF.

STATIC STRUCTURE FACTOR OF HARD-SPHERE YUKAWA SYSTEMS

1996 ◽  
Vol 10 (30) ◽  
pp. 1507-1515 ◽  
Author(s):  
JOSÉ-PEDRO RINO ◽  
NELSON STUDART
Keyword(s):  
Distribution Function ◽  
Computer Simulations ◽  
Structure Factor ◽  
Hard Sphere ◽  
Particle Distribution ◽  
Bbgky Hierarchy ◽  
Static Structure Factor ◽  
Static Structure ◽  
Theory Of Liquids ◽  
Hierarchy Equations

We have applied the Singwi, Tosi, Land and Sjölander approximation for the two-particle distribution function in the BBGKY hierarchy equations to investigate the properties of the hard-sphere Yukawa systems. The static structure factor and the radial distribution function are evaluated and compared with other approximations of the theory of liquids and computer simulations.

The static structure factor S(Q) of partially deuterated ethyl- and hexylmethacrylate polymers

2000 ◽  
Vol 276-278 ◽  
pp. 369-370 ◽  
Author(s):  
G. Meier ◽  
U. Pawelzik ◽  
W. Schweika ◽  
W. Kockelmann
Keyword(s):  
Structure Factor ◽  
Static Structure Factor ◽  
Static Structure
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