Order-disorder transition effects on the dynamic of intercalation process within a stochastic lattice gas model

The aim of this paper is to examine thoroughly the dynamics of the diffusion process of mobile particles with repulsive interactions in inhomogeneou systems, and in the intercalation compounds such as LixTiS2 which presents a triangular structure. The study is done by using the lattice gas model in the mean field approach. Taking into account the subdivision of the triangular lattice into three interpenetrating sublattices, we derive three master equations where each one of them is associated with one of the three sublattices. In order to quantify the order in the system and to characterise the order-disorder transition, we define order parameters which we take as the difference between the occupation of the different sublattices. The representation of the order parameter as a function of the average concentration shows two maximums at critical averages which go up with an increase of the interaction energy. We have also been interested in the phase separation within the system. At last, we have brought forward the diffusion coefficient behaviour which presents singularities in the critical points that correspond to the transition from one phase to another.