Hybrid treatment of spatio‐temporal behavior in surface reactions with coexisting immobile and highly mobile reactants

dc.contributor.author Tammaro, Michael
dc.contributor.author Sabella, M.
dc.contributor.author Evans, James
dc.contributor.author Evans, James
dc.contributor.department Ames Laboratory
dc.contributor.department Physics and Astronomy
dc.contributor.department Mathematics
dc.date 2018-02-17T13:07:47.000
dc.date.accessioned 2020-06-30T06:00:38Z
dc.date.available 2020-06-30T06:00:38Z
dc.date.copyright Sun Jan 01 00:00:00 UTC 1995
dc.date.issued 1995-12-01
dc.description.abstract <p>For surface reactions on single-crystal substrates which involve highly mobile adspecies, there is a vast separation in natural time and length scales. Adspecies hop rates can be many orders of magnitude larger than rates for other processes. Strong spatial correlations or ordering can exist on the atomic scale, while spatial pattern formation occurs on a macroscopic scale due to high diffusivity. An efficient analysis of such systems is provided by a "hybrid treatment" which we apply here to the monomer-dimer surface reaction model in the case of coexisting immobile dimer adspecies and highly mobile monomer adspecies. Specifically, we combine a mean-field treatment of the "randomized" mobile adspecies, and a lattice-gas description of the immobile adspecies. Monte Carlo simulations then reveal bistability and "critical" bifurcation phenomena, while precisely accounting for the influence of correlations in the immobile adspecies distribution. A corresponding analysis of the evolution of macroscopic spatial inhomogeneities is achieved through parallel simulation of the distributed macroscopic points with distinct correlated states and adspecies coverages. These simulations are appropriately coupled to describe diffusive mass transport of the mobile adspecies. In this way, we examine for this model the propagation and structure of chemical waves, corresponding to interface between bistable reactive states, and thereby determine the relative stability of these states.</p>
dc.description.comments <p>The following article appeared in <em>Journal of Chemical Physics</em> 103,23 (1995): 10277 and my be found at doi: <a href="http://dx.doi.org/10.1063/1.469929" target="_blank">10.1063/1.469929</a>.</p>
dc.format.mimetype application/pdf
dc.identifier archive/lib.dr.iastate.edu/math_pubs/37/
dc.identifier.articleid 1038
dc.identifier.contextkey 8127557
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath math_pubs/37
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/54632
dc.language.iso en
dc.source.bitstream archive/lib.dr.iastate.edu/math_pubs/37/1995_EvansJW_HybridTreatmentSpatio.pdf|||Fri Jan 14 23:49:25 UTC 2022
dc.source.uri 10.1063/1.469929
dc.subject.disciplines Biological and Chemical Physics
dc.subject.disciplines Mathematics
dc.subject.disciplines Physics
dc.title Hybrid treatment of spatio‐temporal behavior in surface reactions with coexisting immobile and highly mobile reactants
dc.type article
dc.type.genre article
dspace.entity.type Publication
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