Publication detail

Reaction-Diffusion Systems: Self-Balancing Diffusion and the Use of the Extent of Reaction as a Descriptor of Reaction Kinetics

PEKAŘ, M.

Original Title

Reaction-Diffusion Systems: Self-Balancing Diffusion and the Use of the Extent of Reaction as a Descriptor of Reaction Kinetics

Type

journal article in Web of Science

Language

English

Original Abstract

Self-balancing diffusion is a theoretical concept that restricts the introduction of extents of reactions. This concept is analyzed in detail for general mass- and molar-based balances of reaction-diffusion mixtures, in relation to non-self-balancing cases, and with respect to its practical consequences. Self-balancing is a mathematical restriction on the divergences of diffusion fluxes. Fulfilling this condition enables the proper introduction of the extents of (independent) reactions that reduce the number of independent variables in thermodynamic descriptions. A note on a recent generalization of the concept of reaction and diffusion extents is also included. Even in the case of self-balancing diffusion, such extents do not directly replace reaction rates. Concentration changes caused by reactions (not by diffusion) are properly described by rates of independent reactions, which are instantaneous descriptors. If an overall descriptor is needed, the traditional extents of reactions can be used, bearing in mind that they include diffusion-caused changes. On the other hand, rates of independent reactions integrated with respect to time provide another overall, but reaction-only-related descriptor.

Keywords

diffusion; extent of reaction; independent reactions; reaction rate

Authors

PEKAŘ, M.

Released

10. 9. 2022

Publisher

MDPI

Location

BASEL

ISBN

1422-0067

Periodical

International Journal of Molecular Sciences

Year of study

23

Number

18

State

Swiss Confederation

Pages from

1

Pages to

11

Pages count

11

URL

https://doi.org/10.3390/ijms231810511

BibTex

@article{BUT179987,
  author="Miloslav {Pekař}",
  title="Reaction-Diffusion Systems: Self-Balancing Diffusion and the Use of the Extent of Reaction as a Descriptor of Reaction Kinetics",
  journal="International Journal of Molecular Sciences",
  year="2022",
  volume="23",
  number="18",
  pages="1--11",
  doi="10.3390/ijms231810511",
  issn="1422-0067",
  url="https://doi.org/10.3390/ijms231810511"
}