Modeling of the Internal Structure of Randomly Formed Microporous Material of Unlimited Volume, Following Thermodynamic Limitations

Modeling of Percolation/Permeability in Microporous Systems

“…Studies of the relationship between the conditions of preparation of microporous material, its internal structure, and several properties were undertaken in other publications (4)(5)(6)(7)(8). In these papers, equations for estimation of many of structural characteristics of microporous materials were derived.…”

“…Theoretical studies of percolation are related to analysis of the general properties of the structure in which the percolation is expected. There are two principal options in the choice of such structure: (i) this one can be simulated as a fractal built according to several law (1)(2)(3) or (ii) the model structure can be found due to analysis of the process of formation of the corresponding microporous medium (4)(5)(6)(7)(8).…”

Random Trajectory Modeling of Limited-Volume Percolation in a Microporous Structure

“…, [5] where V 2 is the volume of the gaseous phase (the total volume of the porous phase), dV is its change, ν m is the number of solid cells having (each) m empty neighbors, n is the coordination number of each cell, and R g is gas constant (5). Similar equations can be written for the analogous distribution of empty cells.…”

“…The initial data needed for the calculations are the parameters characterizing the material (in which the percolation is expected) and those characterizing the process of pore formation (see Eqs. [5], and then just:…”

“…Since interface and entropy effects have a symmetric form against both filled and empty cells, the number of voids having (n − m) empty neighbors at porosity ξ 1 (ξ 1 = V 2 /V , where V is the total volume of the system) is equal to the number of filled cells having m empty neighbors at porosity ξ 2 = ξ = (1 − ξ 1 ), which is found from Eqs. [1]- [5]. Hence, we obtain the corresponding distribution of voids θ m (ξ ), m being the number of empty neighbors; θ m is equal to the fraction of voids having (each) m empty neighbors:…”