Simulation of irreversible diffusion-dominated reactions

Abstract

We have done numerical simulations of a lattice model for irreversible diffusion-dominated reactions of the type A+B\ensuremath{\rightarrow}C in one to four dimensions with (I) C inert; (II) A=B, C inert; (III) A=B=C; and (IV) C=B with B immobile. Where possible, the results are compared with theoretical predictions of the densities of the various species at long times. Except for case (IV), the simulation results are consistent with these predictions, aside from size effects, which are not easily overcome in all instances.