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12780 Phys. Chem. Chem. Phys., 2010, 12, 1278012793 This journal is c the Owner Societies 2010 Mesoscopic non-equilibrium thermodynamics of non-isothermal
 

Summary: 12780 Phys. Chem. Chem. Phys., 2010, 12, 12780­12793 This journal is c the Owner Societies 2010
Mesoscopic non-equilibrium thermodynamics of non-isothermal
reaction-diffusion
D. Bedeaux,a
I. Pagonabarraga,b
J. M. Ortiz de Za´ rate,c
J. V. Sengersd
and
S. Kjelstrupae
Received 20th April 2010, Accepted 16th June 2010
DOI: 10.1039/c0cp00289e
We show how the law of mass action can be derived from a thermodynamic basis, in the presence
of temperature gradients, chemical potential gradients and hydrodynamic flow. The solution
gives the law of mass action for the forward and the reverse contributions to the net chemical
reaction. In addition we derive the fluctuation­dissipation theorem for the fluctuating
contributions to the reaction rate, heat flux and mass fluxes. All these results arise without any
other assumptions than those which are common in mesoscopic non-equilibrium thermodynamics;
namely quasi-stationary transport across a high activation energy barrier, and local equilibrium
along the reaction coordinate. Arrhenius-type behaviour of the kinetic coefficients is recovered.
The thermal conductivity, Soret coefficient and diffusivity are significantly influenced by the

  

Source: Anisimov, Mikhail - Institute for Physical Science and Technology & Department of Chemical Engineering and Biomolecular Engineering, University of Maryland at College Park

 

Collections: Physics; Materials Science