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Theoretical modeling of spatiotemporal self-organization in a surface catalyzed reaction exhibiting bistable kinetics

J. Chem. Phys. 96, 8595 (1992); doi:10.1063/1.462312

Issue Date: 1 June 1992

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M. Bär, Ch. Zülicke, M. Eiswirth, and G. Ertl
Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, W-1000 Berlin 33, Germany
A two-variable Langmuir–Hinshelwood mechanism for isothermal CO oxidation on a catalytically active surface is presented. It shows bistability stemming from 2 cusp bifurcations, which can be obtained analytically for low pressure. Inclusion of CO diffusion on the surface leads to a system of partial differential equations, which exhibits nucleation and front propagation phenomena in the bistable region. While the line of equistability could with good accuracy be solved for analytically, the front velocities and critical radii for nucleation had to be determined numerically (using the method of heteroclinic orbits). Throughout the calculations the kinetics and rate constants for the CO oxidation on Pt(111) are used. Here the model can be reduced by adiabatic elimination of one variable (namely oxygen coverage) allowing a comparison to the exactly solved one-variable Schlögl model. Possible implications for future experimental work are briefly discussed. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
History: Received 26 November 1991; accepted 20 February 1992
Permalink: http://link.aip.org/link/?JCPSA6/96/8595/1
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KEYWORDS and PACS

Keywords
PACS
  • 82.65.Jv
    Physical chemistry Surface and interface chemistry Heterogeneous catalysis at surfaces
  • 82.65.Yh
    Physical chemistry Surface and interface chemistry Other surface and interface chemical processes
  • 82.20.Wt
    Physical chemistry Chemical kinetics Computational modeling; simulation
  • YEAR: 1992

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

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