Chemical diffusivity and wave propagation in surface reactions

We analyze the spatiotemporal behavior in a lattice-gas model for the monomer-dimer reaction on surfaces. This model, which mimics catalytic CO-oxidation, includes a mobile monomer adspecies (representing CO), an immobile dissociatively adsorbed dimer species (representing O), and a finite reaction rate (for CO2 production). We characterize in detail the propagation of the chemical wave or reaction front produced when the stable reactive steady-state of the model displaces the metastable CO-poisoned state. In the regime of high CO-mobility, such propagation can be described directly within a “hydrodynamic” reaction-diffusion equation formalism. However, we show that the chemical diffusivity of CO is dependent on the O coverage, reflecting the percolative nature of CO-transport through a background of immobile O. We also emphasize that gradients in the coverage of immobile O induce a diffusive flux in the highly mobile CO. These features significantly influence wave propagation and reaction front structure...

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