Interplay of First-Order Kinetic and Thermodynamic Phase Transitions in Heterogeneous Catalytic Reactions Full article
Journal |
Physical Review Letters
ISSN: 0031-9007 , E-ISSN: 1079-7114 |
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Output data | Year: 2007, Volume: 98, Number: 3, Pages: 036101 Pages count : 4 DOI: 10.1103/PhysRevLett.98.036101 | ||||
Tags | Carbon monoxide; Monte Carlo methods; Nitrogen oxides; Phase transitions; Probability density function; Rate constants; Thermodynamics | ||||
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Abstract:
Using the rate constants obtained on the basis of independent transient measurements and density
functional theory calculations, we perform Monte Carlo (MC) simulations of the bistable kinetics of the
N2O-CO reaction on Pd(110) at 450 K. In the absence of lateral interactions, the MC technique predicts a
wide hysteresis loop in perfect agreement with the mean-field analysis. With attractive substrate-mediated lateral interactions resulting in the formation of (1 2) O islands and reducing the reaction rate inside islands, the hysteresis is found to be dramatically (about 5 times) narrower. This finding explains why the first-order kinetic phase transition experimentally observed in this reaction is not accompanied by hysteresis
Cite:
Zhdanov V.P.
, Matsushima T.
Interplay of First-Order Kinetic and Thermodynamic Phase Transitions in Heterogeneous Catalytic Reactions
Physical Review Letters. 2007. V.98. N3. P.036101. DOI: 10.1103/PhysRevLett.98.036101 WOS Scopus РИНЦ
Interplay of First-Order Kinetic and Thermodynamic Phase Transitions in Heterogeneous Catalytic Reactions
Physical Review Letters. 2007. V.98. N3. P.036101. DOI: 10.1103/PhysRevLett.98.036101 WOS Scopus РИНЦ
Files:
Full text from publisher
Dates:
Submitted: | Sep 13, 2006 |
Published print: | Jan 1, 2007 |
Published online: | Jan 17, 2007 |
Identifiers:
Web of science | WOS:000243587200035 |
Scopus | 2-s2.0-33846367047 |
Elibrary | 13544666 |
Chemical Abstracts | 2007:85440 |
Chemical Abstracts (print) | 146:345383 |
OpenAlex | W1987470098 |