Influence of external steady source structure on particle distributions and kinetics of diffusion-limited reactions. II. A + B --> 0 simulations

Abstract

Monte Carlo simulations were performed to study the effect of a steady external source structure (i.e., particle correlation and vertical reactions) on diffusion-limited A + B --> 0 reactions at steady state. Several methods were developed to describe the spatial organization of the system. They are the distributions of aggregates and inter-particle distance ("gap"), and a parameter based on the number of boundaries between A-rich and B-rich domains. The correlation of the particles in the steady external source reduces the local fluctuation in the particle landing process. The vertical reaction restrains the organization of particles, and does not allow it to reach total segregation. The degree of segregation affects the steady state kinetic behavior. The simulation results are consistent with existing theoretical predictions for the reaction order, the correlation length, and the segregation size.