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Effect of mesoscopic conservative phenomena in the dynamics of chemical reactions at the macroscopic scale

Author

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  • Zárate-Navarro, Marco A.
  • García-Sandoval, J. Paulo
  • Dochain, Denis
  • Hudon, Nicolas

Abstract

This paper studies the influence of conservative phenomena at the mesoscopic scale that affect the behavior of macroscopic variables in chemical reactions, generally understood as purely dissipative processes and whose mathematical formulation is usually derived using macroscopic variables. It is shown that conservative phenomena at the mesoscopic scale can affect the entropy production by transiently “pulling away” the system from the thermodynamic equilibrium. Two case studies are presented to illustrate this fact: the first one is an isolated system with a single reaction including two different scenarios, a purely dissipative reaction; and a second one that considers the influence of conservative elements at the mesoscopic scale. The second case generalizes the results to multiple reactions.

Suggested Citation

  • Zárate-Navarro, Marco A. & García-Sandoval, J. Paulo & Dochain, Denis & Hudon, Nicolas, 2017. "Effect of mesoscopic conservative phenomena in the dynamics of chemical reactions at the macroscopic scale," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 486(C), pages 79-91.
    • Handle: RePEc:eee:phsmap:v:486:y:2017:i:c:p:79-91
    DOI: 10.1016/j.physa.2017.05.029
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    References listed on IDEAS

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    1. Pagonabarraga, I. & Pérez-Madrid, A. & Rubí, J.M., 1997. "Fluctuating hydrodynamics approach to chemical reactions," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 237(1), pages 205-219.
    2. Gorban, A.N & Karlin, I.V & Zmievskii, V.B & Dymova, S.V, 2000. "Reduced description in the reaction kinetics," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 275(3), pages 361-379.
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