Pair distribution functions for hard-sphere mixtures

2009 ◽  
Vol 6 (S6) ◽  
pp. 383-385
Author(s):  
E. W. Grundke ◽  
D. Henderson
Keyword(s):  
Hard Sphere ◽  
Distribution Functions ◽  
Pair Distribution Functions

scholarly journals Clustering effects on the diffusion of patchy colloids in disordered porous media

2021 ◽  
Vol 24 (3) ◽  
pp. 33605
Author(s):  
M. F. Holovko ◽  
M. Ya. Korvatska
Keyword(s):  
Porous Media ◽  
Diffusion Coefficient ◽  
Hard Sphere ◽  
Distribution Functions ◽  
The Self ◽  
Self Diffusion ◽  
Disordered Porous Media ◽  
Pair Distribution Functions ◽  
Matrix Pair ◽  
Self Diffusion Coefficient

Enskog theory is extended for the description of the self-diffusion coefficient of patchy colloidal fluid in disordered porous media. The theory includes the contact values of fluid-fluid and fluid-matrix pair distribution functions that are modified to include the dependence from the so-called probe particle porosity, φ, in order to correctly describe the effects of trapping the fluid particles by a matrix. The proposed expressions for the modified contact values of fluid-fluid and fluid-matrix pair distribution functions include three terms. Namely, a hard sphere contribution obtained by us in the previous work [Holovko M. F., Korvatska M. Ya., Condens. Matter Phys., 2020, 23, 23605], the depletion contribution connected with the cluster-cluster and cluster-matrix repulsion and the intramolecular correlation inside the cluster. It is shown that the last term leads to a remarkable decrease of the self-diffusion coefficient at a low fluid density. With a decreasing matrix porosity, this effect becomes weaker. For intermediate fluid densities, the depletion contribution leads to an increase of the self-diffusion coefficient in comparison with the hard sphere fluid. For a sufficiently dense fluid, the self-diffusion coefficient strongly decreases due to a hard sphere effect. The influence of the cluster size and the type of clusters as well as of the parameters of porous media is investigated and discussed in detail.

Hard‐Sphere Solid: Pair Distribution Functions at High Density

1967 ◽  
Vol 47 (9) ◽  
pp. 3334-3340 ◽  
Author(s):  
Russell D. Larsen ◽  
Zevi W. Salsburg
Keyword(s):  
Hard Sphere ◽  
Distribution Functions ◽  
High Density ◽  
Pair Distribution Functions
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