دورية أكاديمية
Chemical diffusivity and wave propagation in surface reactions: Lattice-gas model mimicking CO-oxidation with high CO-mobility
| العنوان: | Chemical diffusivity and wave propagation in surface reactions: Lattice-gas model mimicking CO-oxidation with high CO-mobility |
|---|---|
| المؤلفون: | Tammaro, Michael Joseph, Evans, James W. |
| المصدر: | Mathematics Publications |
| بيانات النشر: | Iowa State University Digital Repository |
| سنة النشر: | 1998 |
| المجموعة: | Digital Repository @ Iowa State University |
| مصطلحات موضوعية: | carbon monoxide, chemical reactions, computer simulation, equations of motion, mathematical models, oxidation, phase transitions, reaction kinetics, surfaces, chemical diffusivity, chemical wave propagation, lattice gas model, diffusion in gases, Biological and Chemical Physics, Mathematics, Physics |
| الوصف: | We analyze the spatiotemporal behavior in a lattice-gas model for the monomer-dimer reaction on surfaces. This model, which mimics catalytic CO-oxidation, includes a mobilemonomer adspecies (representing CO), an immobile dissociatively adsorbed dimer species (representing O), and afinitereaction rate (for CO2 production). We characterize in detail the propagation of the chemical wave or reaction front produced when the stable reactive steady-state of the model displaces the metastable CO-poisoned state. In the regime of high CO-mobility, such propagation can be described directly within a “hydrodynamic” reaction-diffusion equation formalism. However, we show that the chemical diffusivity of CO is dependent on the O coverage, reflecting the percolative nature of CO-transport through a background of immobile O. We also emphasize that gradients in the coverage of immobile O induce a diffusive flux in the highly mobile CO. These features significantly influence wave propagation and reaction front structure. In addition, our analysis accounts for the feature that in this hydrodynamic regime, correlations persist in the distribution of adsorbed immobile O, and that these influence the reaction kinetics, the steady states, and the percolation and diffusion properties. To this end, we utilize a “hybrid” approach which incorporates a mean-field reaction-diffusion treatment of adsorbed CO, coupled with a lattice-gas treatment of adsorbed O [Tammaro et al., J. Chem. Phys. 103, 10277 (1995)]. |
| نوع الوثيقة: | text |
| وصف الملف: | application/pdf |
| اللغة: | English |
| العلاقة: | https://lib.dr.iastate.edu/math_pubs/28Test; https://lib.dr.iastate.edu/cgi/viewcontent.cgi?article=1027&context=math_pubsTest |
| الإتاحة: | https://lib.dr.iastate.edu/math_pubs/28Test https://lib.dr.iastate.edu/cgi/viewcontent.cgi?article=1027&context=math_pubsTest |
| حقوق: | Copyright 1998 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. |
| رقم الانضمام: | edsbas.BB41EBF6 |
| قاعدة البيانات: | BASE |
| الوصف غير متاح. |