A small set of Matlab functions to compute self-diffusion coefficients described in Blees and Leyte paper "The effective translational self-diffusion coefficient of small molecules in colloidal crystals of spherical particles", Journal of Colloid and Interface Science 166, 118-127, 1994, doi:10.1006/jcis.1994.1278.
In main.m you can find the examples of function invocations for the computation of effective diffusion.
I used this script to validate my stochastic simulations described in the paper "Computational investigation of longitudinal diffusion, eddy dispersion, and trans-particle mass transfer in bulk, random packings of core–shell particles with varied shell thickness and shell diffusion coefficient", A. Daneyko, D. Hlushkou, V. Baranau, S. Khirevich, A. Seidel-Morgenstern, and U. Tallarek doi:10.1016/j.chroma.2015.06.047