From atomistic lattice-gas models for surface reactions to hydrodynamic reaction-diffusion equations
Chaos 12, 131 (2002); doi:10.1063/1.1450566
Published 21 February 2002
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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 spatial pattern 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. ©2002 American Institute of Physics.
| History: | Received 18 July 2001; accepted 20 December 2001; published 21 February 2002 |
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http://link.aip.org/link/?CHAOEH/12/131/1 |
KEYWORDS and PACS
- 82.65.+r
Physical chemistry and chemical physics Surface and interface chemistry; heterogeneous catalysis at surfaces (for temporal and spatial patterns in surface reactions, see 82.40.Np) - 05.50.+q
Statistical physics, thermodynamics, and nonlinear dynamical systems Lattice theory and statistics (Ising, Potts, etc.) - 82.20.-w
Physical chemistry and chemical physics Chemical kinetics and dynamics - YEAR: 2002
RELATED DATABASES
PUBLICATION DATA
1054-1500 (print)
1089-7682 (online)
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