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Master equation for a chemical wave front with perturbation of local equilibrium
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10.1063/1.3626520
/content/aip/journal/jcp/135/8/10.1063/1.3626520
http://aip.metastore.ingenta.com/content/aip/journal/jcp/135/8/10.1063/1.3626520
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Time averaged profiles of the wave front in the moving frame for s f = 1 and ε = 1.5. From top to bottom, temperature T A , scaled density profile and kurtosis κ A of species A. The black lines are the results of DSMC simulations. The orange lines give the results of the modified macroscopic description deduced from the Boltzmann equation, Eq. (A5) for T A , Eq. (7) for species A profile and Eq. (A6) for κ A . The profile of species A (blue line) deduced from the modified master equation is partially overlapping with the macroscopic result with nonequilibrium corrections. For reference, we give the unperturbed profile of species A deduced from macroscopic description without nonequilibrium corrections (green line).

Image of FIG. 2.
FIG. 2.

Relative deviation (UU 0)/U 0 of the front speed to the unperturbed macroscopic prediction U 0 for s f = 1 and different values of the reduced activation energy ε: Results of DSMC (crosses), modified master equation (circles), and integration of the modified macroscopic equation (squares). The solid line is deduced from Eq. (13) for the macroscopic prediction of the correction to the front speed.

Image of FIG. 3.
FIG. 3.

Same caption as in Fig. 2 for the relative deviation (WW 0)/W 0 of the front width. The solid line is deduced from Eq. (15) for the macroscopic prediction of the correction to the front width.

Image of FIG. 4.
FIG. 4.

Same caption as in Fig. 2 for ε = 0 and different values of the steric factor s f .

Image of FIG. 5.
FIG. 5.

Same caption as in Fig. 2 for the relative deviation (WW 0)/W 0 of the front width, for ε = 0 and different values of the steric factor s f . The solid line is deduced from Eq. (15) for the macroscopic prediction of the correction to the front width.

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/content/aip/journal/jcp/135/8/10.1063/1.3626520
2011-08-30
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Master equation for a chemical wave front with perturbation of local equilibrium
http://aip.metastore.ingenta.com/content/aip/journal/jcp/135/8/10.1063/1.3626520
10.1063/1.3626520
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