Nonlinear Effects in Site Blocking Induced Oscillations
Dorjsuren Battogtokh, Ravjir Davaanyam
TL;DR
This paper investigates how higher order nonlinear effects of site blocking cause oscillations in CO oxidation simulations, revealing a supercritical Hopf bifurcation in rate equations aligning with Monte Carlo results.
Contribution
It demonstrates that including higher order nonlinear effects in rate equations explains oscillations observed in Monte Carlo simulations of CO oxidation.
Findings
Rate equations with nonlinear effects show supercritical Hopf bifurcation.
Monte Carlo simulations exhibit oscillations due to site blocking.
Theoretical analysis aligns with simulation results.
Abstract
Higher order nonlinear effects of site blocking, which induces oscillations in the Monte Carlo simulation of CO oxidation, are outlined here. It is shown that the rate equations which include these effects exhibit a supercritical Hopf bifurcation in parameter domains where Monte Carlo simulations lead to oscillations.
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Taxonomy
TopicsPhase Equilibria and Thermodynamics · Catalysis and Oxidation Reactions · Theoretical and Computational Physics