Publication result detail

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

PEKAŘ, M.

Original Title

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

English Title

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

Type

WoS Article

Original Abstract

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.

English abstract

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.

Keywords

autocatalysis; non-equilibrium thermodynamics; rate equation; reaction kinetics

Key words in English

autocatalysis; non-equilibrium thermodynamics; rate equation; reaction kinetics

Authors

PEKAŘ, M.

RIV year

2021

Released

22.01.2021

Publisher

MDPI

ISBN

1420-3049

Periodical

MOLECULES

Volume

26

Number

3

State

Swiss Confederation

Pages from

1

Pages to

8

Pages count

8

URL

https://www.mdpi.com/1420-3049/26/3/585

Full text in the Digital Library

http://hdl.handle.net/11012/196737

BibTex

@article{BUT170221,
  author="Miloslav {Pekař}",
  title="Non-Equilibrium Thermodynamics View on Kinetics of Autocatalytic Reactions—Two Illustrative Examples",
  journal="MOLECULES",
  year="2021",
  volume="26",
  number="3",
  pages="1--8",
  doi="10.3390/molecules26030585",
  url="https://www.mdpi.com/1420-3049/26/3/585"
}

Documents

molecules-26-00585-v2