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

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26310%2F21%3APU139961" target="_blank" >RIV/00216305:26310/21:PU139961 - isvavai.cz</a>

Result on the web

<a href="https://www.mdpi.com/1420-3049/26/3/585" target="_blank" >https://www.mdpi.com/1420-3049/26/3/585</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3390/molecules26030585" target="_blank" >10.3390/molecules26030585</a>

Result language

angličtina

Original language name

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

Original language description

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 thermodynamicsbased 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.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10403 - Physical chemistry

Project

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Continuities

S - Specificky vyzkum na vysokych skolach

Publication year

2021

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

MOLECULES

ISSN

1420-3049

e-ISSN

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Volume of the periodical

26

Issue of the periodical within the volume

3

Country of publishing house

CH - SWITZERLAND

Number of pages

8

Pages from-to

1-8

UT code for WoS article

000615443300001

EID of the result in the Scopus database

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