Analytical approach for collective diffusion: One-dimensional heterogeneous lattice

Diffusion of particles adsorbed on the heterogeneous chain was investigated using a theoretical approach and Monte Carlo method. I present the derivation of the analytical expressions for the diffusion coefficients. This approach is based on the theory of the non-equilibrium statistical operator developed by Zubarev. The concentration dependencies of the center-of-mass and Fickian diffusion coefficients have been calculated for some representative values of lateral interactions between the adsorbed particles. The analytical dependencies are compared with the numerical data generated by the kinetic Monte Carlo simulation. The almost perfect coincidence of the data obtained by the two quite different methods clearly demonstrates the applicability of the approach for the investigations of the particle migration in the lattice gas systems. Published by AIP Publishing.