Local Reaction Probability Effects in Non-Classical Kinetics: Batch and Steady State

Abstract

AbstractThe reaction A+A→0 is simulated in 1-D and 2-D square lattices with various local reaction probabilities, P. The effective reaction order, X, and the nearest neighbor distance distribution (NNDD), are evaluated in all these reactions. For batch reactions, sharp increases in X with increasing P occur at early times. Classical reaction limited kinetics is obtained at early times only when P→0. At long times, all reactions are in the non-classical, diffusion limited regime, regardless of P. For steady state reactions, our results demonstrate a similar behavior of X with P. The NNDD at steady state in 1-D media at P=1.0, i.e. diffusion limited reaction, follows the previously reported skewed exponential shape. This is no longer true for P<I. Finally, at P→0, as expected, an exponential (Poissonian) distribution is obtained for both reaction conditions.