The lattice Monte Carlo method for calculating the effective diffusivities in the nanostructured two-phase media

Abstract

The Lattice Monte Carlo method was used to calculate the effective diffusion in nanostructured 3D systems, comprising two-phase zones with different morphology. The results of the calculations allowed to establish and compare the dependences of effective diffusion coefficients in nanostructured two-phase systems on the volume fraction of phases. Calculations are made in the case of parallel, sequential and combined methods of phase coupling in two-phase zones of different morphology. The phenomenological parallel and serial connection models for the determination of the effective diffusion parameters of the inhomogeneous two-phase media are compared with the Monte Carlo Lattice method.