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New Invariant Expressions in Chemical Kinetics

1
McKelvey School of Engineering, Department of Energy, Environmental and Chemical Engineering, Washington University in St. Louis, 1 Brookings Dr., St. Louis, MO 63130, USA
2
Department of Separation and Conversion Technology, VITO (Flemish Institute for Technological Research), Boeretang 200, B-2400 Mol, Belgium
3
Laboratory for Chemical Technology, Ghent University, Technologiepark 914, B-9052 Ghent, Belgium
4
Department of Electronics and Information Systems ELIS, Ghent University, Building S-8, Krijgslaan 281, B-9000 Ghent, Belgium
*
Author to whom correspondence should be addressed.
Entropy 2020, 22(3), 373; https://doi.org/10.3390/e22030373
Received: 16 February 2020 / Revised: 18 March 2020 / Accepted: 18 March 2020 / Published: 24 March 2020
(This article belongs to the Special Issue Entropies: Between Information Geometry and Kinetics)
This paper presents a review of our original results obtained during the last decade. These results have been found theoretically for classical mass-action-law models of chemical kinetics and justified experimentally. In contrast with the traditional invariances, they relate to a special battery of kinetic experiments, not a single experiment. Two types of invariances are distinguished and described in detail: thermodynamic invariants, i.e., special combinations of kinetic dependences that yield the equilibrium constants, or simple functions of the equilibrium constants; and “mixed” kinetico-thermodynamic invariances, functions both of equilibrium constants and non-thermodynamic ratios of kinetic coefficients. View Full-Text
Keywords: invariant expression; two-step mechanism; scaled incremental conversion; conservatively perturbed equilibrium; linear complex mechanism; thermodynamic invariant invariant expression; two-step mechanism; scaled incremental conversion; conservatively perturbed equilibrium; linear complex mechanism; thermodynamic invariant
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Yablonsky, G.S.; Branco, D.; Marin, G.B.; Constales, D. New Invariant Expressions in Chemical Kinetics. Entropy 2020, 22, 373.

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