A. Adrover et M. Giona, A VERSATILE LATTICE SIMULATOR FOR FLUID-SOLID NONCATALYTIC REACTIONS IN COMPLEX MEDIA, Industrial & engineering chemistry research, 36(11), 1997, pp. 4993-5009
A versatile lattice simulator for fluid-solid noncatalytic reactions i
s developed in detail in order to study linear, nonlinear, and nonisot
hermal kinetics in complex media, in the presence of multicomponent di
ffusion and n-solid reactant species. The simulator is based on a time
-splitting algorithm for the diffusion and for the reaction steps. The
simulator is quantitatively checked in many different cases involving
initially nonporous particles constituted by a solid reactant dispers
ed in an inert matrix. The influence of spatial correlation properties
in the case of uniform and nonuniform solid reactant distribution is
analyzed in detail.