Publication | Closed Access
Kinetic phase transitions in a surface-reaction model: Mean-field theory
241
Citations
9
References
1986
Year
Kinetic Phase TransitionsEngineeringComputational ChemistryChemistryChemical EngineeringNumerical SimulationKinetics (Physics)Molecular KineticsReaction ProcessMaterials SciencePhysicsPair ApproximationsPhysical ChemistryKinetic ModelPhase DiagramNatural SciencesSurface ScienceTransformation KineticsChemical KineticsSurface ReactivityMultiscale Modeling
A kinetic model for irreversible surface reactions, recently proposed by Ziff, Gulari, and Barshad, is studied in the site and pair approximations. The latter approach predicts the phase diagram correctly, and yields quantitative predictions which are in very close agreement with simulation, in the vicinity of the first-order kinetic transition.
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