scholarly journals On the improvement of SPT2 approach in the theory of a hard sphere fluid in disordered porous media

2017 ◽  
Vol 20 (3) ◽  
pp. 33602 ◽  
Author(s):  
Holovko ◽  
Patsahan ◽  
Dong

1997 ◽  
Vol 91 (4) ◽  
pp. 625-634 ◽  
Author(s):  
GERARDO OROZCO ◽  
OREST PIZIO ◽  
STEFAN SOKOLOWSKI ◽  
ANDRIJ TROKHYMCHUK










2021 ◽  
Vol 24 (3) ◽  
pp. 33605
Author(s):  
M. F. Holovko ◽  
M. Ya. Korvatska

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.





1997 ◽  
Vol 91 (4) ◽  
pp. 625-634 ◽  
Author(s):  
GERARDO ANGUIANO OROZCO ◽  
OREST PIZIO ◽  
STEFAN SOKOLOWSKI ◽  
ANDRIJ TROKHYMCHUK




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