Nonisothermal diffusion–reaction with nonlinear Kramers kinetics

José M. Ortiz de Zárate; Dick Bedeaux; Ignacio Pagonabarraga; Jan V. Sengers; Signe Kjelstrup

doi:10.1016/j.crme.2011.03.003

Nonisothermal diffusion–reaction with nonlinear Kramers kinetics

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

Comptes Rendus. Mécanique, Thermodiffusion and coupled phenomena, Volume 339 (2011) no. 5, pp. 287-291.

Abstract

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properties of the deterministic solution, which were so characteristic for conditions close to equilibrium, are no longer valid far from equilibrium.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: 2011-04-21

DOI: 10.1016/j.crme.2011.03.003

Mots-clés : Mesoscopic nonequilibrium thermodynamics, Nonisothermal chemical reactions, Soret effect, Temperature profiles, Flux profiles, Thermal diffusion

Author's affiliations:

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

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     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},
}

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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, Thermodiffusion and coupled phenomena, Volume 339 (2011) no. 5, pp. 287-291. doi : 10.1016/j.crme.2011.03.003. https://comptes-rendus.academie-sciences.fr/mecanique/articles/10.1016/j.crme.2011.03.003/

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