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Time evolution of a catalytic surface reaction: oxidation of carbon monoxide

K Yaldram and A Sadiq

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An irreversible kinetic surface reaction based upon the oxidation of carbon monoxide exhibits both a second-order and a first-order phase transition. The authors study the time evolution of this reaction near and slightly above the first-order transition by Monte Carlo simulation. It is seen that oxygen concentration, for low coverages, decays exponentially with time. Near the transition the average relaxation time is found to diverge as tau CO varies as mod X2-XCO mod gamma with gamma =3.54. Here XCO is the composition of carbon monoxide in the gas phase and X2 is the value of this concentration at the transition point.


PACS

82.65.+r Surface and interface chemistry; heterogeneous catalysis at surfaces

05.50.+q Lattice theory and statistics (Ising, Potts, etc.)

64.60.F- Equilibrium properties near critical points, critical exponents

MSC

82B80 Numerical methods (Monte Carlo, series resummation, etc.) (See also 65-XX, 81T80)

82B27 Critical phenomena

82B26 Phase transitions (general)

82B20 Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs

Subjects

Surfaces, interfaces and thin films

Condensed matter: structural, mechanical & thermal

Statistical physics and nonlinear systems

Chemical physics and physical chemistry

Dates

Issue 19 (7 October 1989)



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