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Series

Biological and Chemical Physics

2004

Carbon

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Full-Text Articles in Physics

From Atomic Scale Reactant Ordering To Mesoscale Reaction Front Propagation: Co Oxidation On Pd(100), Da-Jiang Liu, James W. Evans Nov 2004

From Atomic Scale Reactant Ordering To Mesoscale Reaction Front Propagation: Co Oxidation On Pd(100), Da-Jiang Liu, James W. Evans

Mathematics Publications

We utilize a heterogeneous coupled lattice-gas (HCLG) approach to connect the length scales from a realistic atomistic description of surface reactions to the associated mesoscale spatiotemporal behavior. This method is applied to describe reaction front structure in a model for CO oxidation on Pd(100) which incorporates complex ordering of CO and O adlayers, and a precise treatment of the chemical diffusion for interacting CO adlayers in an environment of coadsorbed O.