Comptes Rendus
Nonisothermal diffusion–reaction with nonlinear Kramers kinetics
Comptes Rendus. Mécanique, Volume 339 (2011) no. 5, pp. 287-291.

Recently, we have started to develop mesoscopic nonequilibrium thermodynamics for a reaction far from equilibrium in the presence of a temperature gradient, so that the interplay between the chemical reaction, diffusion and thermal diffusion can be described within the same theoretical framework. In this article we show that the spatial symmetry properties of the deterministic solution, which were so characteristic for conditions close to equilibrium, are no longer valid far from equilibrium. This is expected to have some conceptual consequences for the spatial spectrum of the fluctuations of temperature and concentrations around their local equilibrium values.

Published online:
DOI: 10.1016/j.crme.2011.03.003
Keywords: Mesoscopic nonequilibrium thermodynamics, Nonisothermal chemical reactions, Soret effect, Temperature profiles, Flux profiles, Thermal diffusion

José M. Ortiz de Zárate 1; Dick Bedeaux 2, 3; Ignacio Pagonabarraga 4; Jan V. Sengers 5; Signe Kjelstrup 2, 3

1 Departamento de Física Aplicada I, Universidad Complutense, 28040 Madrid, Spain
2 Department of Chemistry, Norwegian University of Science and Technology, Trondheim 7491, Norway
3 Department of Process & Energy, Technical University Delft, 2628CA Delft, The Netherlands
4 Departamento de Física Fonamental, Universitat de Barcelona, 08028 Barcelona, Spain
5 Institute for Physical Science and Technology, University of Maryland, College Park, MD 20742, USA
     author = {Jos\'e M. Ortiz de Z\'arate and Dick Bedeaux and Ignacio Pagonabarraga and Jan V. Sengers and Signe Kjelstrup},
     title = {Nonisothermal diffusion{\textendash}reaction with nonlinear {Kramers} kinetics},
     journal = {Comptes Rendus. M\'ecanique},
     pages = {287--291},
     publisher = {Elsevier},
     volume = {339},
     number = {5},
     year = {2011},
     doi = {10.1016/j.crme.2011.03.003},
     language = {en},
AU  - José M. Ortiz de Zárate
AU  - Dick Bedeaux
AU  - Ignacio Pagonabarraga
AU  - Jan V. Sengers
AU  - Signe Kjelstrup
TI  - Nonisothermal diffusion–reaction with nonlinear Kramers kinetics
JO  - Comptes Rendus. Mécanique
PY  - 2011
SP  - 287
EP  - 291
VL  - 339
IS  - 5
PB  - Elsevier
DO  - 10.1016/j.crme.2011.03.003
LA  - en
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%A Dick Bedeaux
%A Ignacio Pagonabarraga
%A Jan V. Sengers
%A Signe Kjelstrup
%T Nonisothermal diffusion–reaction with nonlinear Kramers kinetics
%J Comptes Rendus. Mécanique
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José M. Ortiz de Zárate; Dick Bedeaux; Ignacio Pagonabarraga; Jan V. Sengers; Signe Kjelstrup. Nonisothermal diffusion–reaction with nonlinear Kramers kinetics. Comptes Rendus. Mécanique, Volume 339 (2011) no. 5, pp. 287-291. doi : 10.1016/j.crme.2011.03.003.

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