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Article

Non-Equilibrium Thermodynamics View on Kinetics of Autocatalytic Reactions—Two Illustrative Examples

Faculty of Chemistry, Brno University of Technology, Purkyňova 118, 612 00 Brno, Czech Republic
Academic Editor: Vladislav Tomisic
Molecules 2021, 26(3), 585; https://doi.org/10.3390/molecules26030585
Received: 23 December 2020 / Revised: 15 January 2021 / Accepted: 20 January 2021 / Published: 22 January 2021
(This article belongs to the Special Issue 25th Anniversary of Molecules—Recent Advances in Physical Chemistry)
Autocatalytic reactions are in certain contrast with the linear algebra of reaction stoichiometry, on which rate equations respecting the permanence of atoms are constructed. These mathematical models of chemical reactions are called conservative. Using a non-equilibrium thermodynamics-based theory of chemical kinetics, it is shown how to introduce autocatalytic step into such (conservative) rate equation properly. Further, rate equations based on chemical potentials or affinities are derived, and conditions for the consistency of rate equations with the entropic inequality (the second law of thermodynamics) are illustrated. The theory illustrated here can be viewed as a tool for verifying and generalizing traditional mass-action kinetics by means of modern non-equilibrium thermodynamics, which is able to deal also with such rather problematic cases. View Full-Text
Keywords: autocatalysis; non-equilibrium thermodynamics; rate equation; reaction kinetics autocatalysis; non-equilibrium thermodynamics; rate equation; reaction kinetics
MDPI and ACS Style

Pekař, M. Non-Equilibrium Thermodynamics View on Kinetics of Autocatalytic Reactions—Two Illustrative Examples. Molecules 2021, 26, 585. https://doi.org/10.3390/molecules26030585

AMA Style

Pekař M. Non-Equilibrium Thermodynamics View on Kinetics of Autocatalytic Reactions—Two Illustrative Examples. Molecules. 2021; 26(3):585. https://doi.org/10.3390/molecules26030585

Chicago/Turabian Style

Pekař, Miloslav. 2021. "Non-Equilibrium Thermodynamics View on Kinetics of Autocatalytic Reactions—Two Illustrative Examples" Molecules 26, no. 3: 585. https://doi.org/10.3390/molecules26030585

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