Chemical diffusion of CO in mixed CO+O adlayers and reaction-front propagation in CO oxidation on Pd(100)

Chemical diffusion of CO in mixed CO + O adlayers and reaction-front propagation in CO oxidation on Pd(100).

Within the framework of a realistic atomistic lattice-gas model, we present the theoretical formulation and simulation procedures for precise analysis of the chemical diffusion flux of highly mobile CO within a nonuniform interacting mixed CO + O adlayer on a Pd(100) surface. The approach applies in both regimes of relatively immobile unequilibrated and fairly mobile near-equilibrated O adlayer...

From atomic scale reactant ordering to mesoscale reaction front propagation: CO oxidation on Pd(100)

on the status of mixed methods research in applied linguistics

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Fluctuation-regularized front propagation dynamics in reaction-diffusion systems.

We introduce and study a new class of fronts in finite particle-number reaction-diffusion systems, corresponding to propagating up a reaction-rate gradient. We show that these systems have no traditional mean-field limit, as the nature of the long-time front solution in the stochastic process differs essentially from that obtained by solving the mean-field deterministic reaction-diffusion equat...

Hybrid method for simulating front propagation in reaction-diffusion systems.

We study the propagation of pulled fronts in the A<--> A+A microscopic reaction-diffusion process using Monte Carlo simulations. In the mean field approximation the process is described by the deterministic Fisher-Kolmogorov-Petrovsky-Piscounov equation. In particular, we concentrate on the corrections to the deterministic behavior due to the number of particles per correlated volume Omega. By ...