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Publication detail
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
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
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" }