Non-meanfield deterministic limits in chemical reaction kinetics

A general mechanism is proposed by which small intrinsic fluctuations in a system far from equilibrium can result in nearly deterministic dynamical behaviors which are markedly distinct from those realized in the meanfield limit. The mechanism is demonstrated for the kinetic Monte Carlo version of t...

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Bibliographic Details
Published in:The Journal of chemical physics 2006-06, Vol.124 (23), p.231102-231102-4
Main Authors: Lee DeVille, R. E., Muratov, Cyrill B., Vanden-Eijnden, Eric
Format: Article
Language:English
Subjects:
Chemical Phenomena
Chemistry
Computer Simulation
Energy Transfer
Kinetics
Models, Chemical
Monte Carlo Method
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Summary:A general mechanism is proposed by which small intrinsic fluctuations in a system far from equilibrium can result in nearly deterministic dynamical behaviors which are markedly distinct from those realized in the meanfield limit. The mechanism is demonstrated for the kinetic Monte Carlo version of the Schnakenberg reaction where we identified a scaling limit in which the global deterministic bifurcation picture is fundamentally altered by fluctuations. Numerical simulations of the model are found to be in quantitative agreement with theoretical predictions.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.2217013