Use of percolation theory to estimate effective diffusion coefficients of particles migrating on various ordered lattices and in a random network structure

Two computational strategies were developed to estimate from percolation theory the relative diffusion coefficients Dr of particles executing random walks on various ordered lattices of different coordination numbers z and in random networks, characterized by a uniform density of nearest‐neighbor sites around a given site, beyond a certain minimum separation of the sites Rc. Relative solubilities sr also were estimated for these systems, using literature data. The way the computed Dr and sr depend on the probability that a given site is accessible to the migrating particle, and on z or on Rc, respectively, when compared to corresponding experimental results, may allow one to characterize the ordered or random network structure of the substrate used.