Mathematics, Ames Laboratory
Journal or Book Title
Atomistic lattice-gas models for surface reactions can accurately describe spatial correlations and ordering in chemisorbed layers due to adspecies interactions or due to limited mobility of some adspecies. The primary challenge in such modeling is to describe spatiotemporal behavior in the physically relevant “hydrodynamic” regime of rapid diffusion of (at least some) reactant adspecies. For such models, we discuss the development of exact reaction-diffusion equations (RDEs) describing mesoscale spatialpattern formation in surface reactions. Formulation and implementation of these RDEs requires detailed analysis of chemical diffusion in mixed reactant adlayers, as well as development of novel hybrid and parallel simulation techniques.
Copyright 2002 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
American Institute of Physics
Evans, James W.; Liu, Da-Jiang; and Tammaro, M., "From atomistic lattice-gas models for surface reactions to hydrodynamic reaction-diffusion equations" (2002). Mathematics Publications. 15.