Details
| Original language | English |
|---|---|
| Pages (from-to) | 3854-3863 |
| Number of pages | 10 |
| Journal | Journal of Chemical Physics |
| Volume | 113 |
| Issue number | 9 |
| Publication status | Published - 1 Sept 2000 |
Abstract
A realistic mathematical model was developed to quantitatively reproduce the experimentally measured front velocities and the parameter dependent anisotropy of front propagation in the system H2+O2/Rh(110). Simulations revealed that simple Fickian diffusion with constant diffusion coefficients does not suffice to describe the experimental data, and inhibition by hydrogen diffusion by coadsorbed oxygen should be included into a realistic model. The key elements for reproducing the parameter-dependent anisotropy of the fronts were found to be the state-dependent anisotropy of hydrogen diffusion caused by site-blocking and the different anisotropies of the diffusing species, hydrogen and oxygen.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- General Physics and Astronomy
- Chemistry(all)
- Physical and Theoretical Chemistry
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In: Journal of Chemical Physics, Vol. 113, No. 9, 01.09.2000, p. 3854-3863.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Simulations of anisotropic front propagation in the H2+O2 reaction on a Rh(110) surface
AU - Makeev, A.
AU - Imbihl, R.
PY - 2000/9/1
Y1 - 2000/9/1
N2 - A realistic mathematical model was developed to quantitatively reproduce the experimentally measured front velocities and the parameter dependent anisotropy of front propagation in the system H2+O2/Rh(110). Simulations revealed that simple Fickian diffusion with constant diffusion coefficients does not suffice to describe the experimental data, and inhibition by hydrogen diffusion by coadsorbed oxygen should be included into a realistic model. The key elements for reproducing the parameter-dependent anisotropy of the fronts were found to be the state-dependent anisotropy of hydrogen diffusion caused by site-blocking and the different anisotropies of the diffusing species, hydrogen and oxygen.
AB - A realistic mathematical model was developed to quantitatively reproduce the experimentally measured front velocities and the parameter dependent anisotropy of front propagation in the system H2+O2/Rh(110). Simulations revealed that simple Fickian diffusion with constant diffusion coefficients does not suffice to describe the experimental data, and inhibition by hydrogen diffusion by coadsorbed oxygen should be included into a realistic model. The key elements for reproducing the parameter-dependent anisotropy of the fronts were found to be the state-dependent anisotropy of hydrogen diffusion caused by site-blocking and the different anisotropies of the diffusing species, hydrogen and oxygen.
UR - http://www.scopus.com/inward/record.url?scp=0034271874&partnerID=8YFLogxK
U2 - 10.1063/1.1287797
DO - 10.1063/1.1287797
M3 - Article
AN - SCOPUS:0034271874
VL - 113
SP - 3854
EP - 3863
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 9
ER -