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Fluctuating hydrodynamics approach to chemical reactions

Author

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  • Pagonabarraga, I.
  • Pérez-Madrid, A.
  • Rubí, J.M.

Abstract

We have used the thermodynamical description of a chemical reaction as a diffusion process along an internal coordinate to analyze fluctuations in the density of the constituents, which are treated under the framework of fluctuating hydrodynamics. We then obtain a Langevin equation for the density, as a function of the internal coordinate, whose stochastic source statisfies a fluctuation-dissipation theorem. After contraction of the description, by means of integration in the internal coordinate, we derive the Langevin equation for the concentration of reactants and products as well as the statistical properties of the random source which agree with the corresponding results obtained by means of Keizer's theory. Application of the formalism is illustrated by considering particular cases. An extension to coupled chemical reactions is also discussed.

Suggested Citation

  • 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.
    • Handle: RePEc:eee:phsmap:v:237:y:1997:i:1:p:205-219
    DOI: 10.1016/S0378-4371(96)00377-9
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    References listed on IDEAS

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    1. Pérez-Madrid, A. & Rubí, J.M. & Mazur, P., 1994. "Brownian motion in the presence of a temperature gradient," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 212(3), pages 231-238.
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    Cited by:

    1. Arango-Restrepo, A. & Rubi, J.M. & Barragán, D., 2018. "Kinetics and energetics of chemical reactions through intermediate states," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 509(C), pages 86-96.
    2. Igor Donskoy, 2022. "On the Existence and Applicability of Extremal Principles in the Theory of Irreversible Processes: A Critical Review," Energies, MDPI, vol. 15(19), pages 1-23, September.
    3. 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.

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