Research Focus Area
Catalysis and Reaction Engineering, Computational Fluid Dynamics
Journal or Book Title
Physical Review E
Hierarchical mean-field rate equations and lattice-gas simulations were developed to elucidate the effects of the breakdown of the mean-field approximation for a model heterogeneous chemical oscillator that represents a simple extension of the well-known monomer-dimer surface reaction model. The bifurcation structure of the reaction kinetics depends sensitively on the details of surface transport processes, and the oscillatory behavior exhibited by the site approximation rate equations is not generally robust with respect to spatial correlations.
The American Physical Society
Vigil, R. Dennis and Willmore, Frank T., "Oscillatory dynamics in a heterogeneous surface reaction: Breakdown of the mean-field approximation" (1996). Chemical and Biological Engineering Publications. 93.