Detail publikačního výsledku

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

PEKAŘ, M.

Originální název

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

Anglický název

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

Druh

Článek WoS

Originální abstrakt

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.

Anglický abstrakt

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.

Klíčová slova

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

Klíčová slova v angličtině

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

Autoři

PEKAŘ, M.

Rok RIV

2021

Vydáno

22.01.2021

Nakladatel

MDPI

ISSN

1420-3049

Periodikum

MOLECULES

Svazek

26

Číslo

3

Stát

Švýcarská konfederace

Strany od

1

Strany do

8

Strany počet

8

URL

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

Plný text v Digitální knihovně

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"
}

Dokumenty

molecules-26-00585-v2