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

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dc.contributor.authorPekař, Miloslavcs
dc.coverage.issue3cs
dc.coverage.volume26cs
dc.date.accessioned2021-05-17T10:53:05Z
dc.date.available2021-05-17T10:53:05Z
dc.date.issued2021-01-22cs
dc.description.abstractAutocatalytic 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.en
dc.formattextcs
dc.format.extent1-8cs
dc.format.mimetypeapplication/pdfcs
dc.identifier.citationMOLECULES. 2021, vol. 26, issue 3, p. 1-8.en
dc.identifier.doi10.3390/molecules26030585cs
dc.identifier.issn1420-3049cs
dc.identifier.other170221cs
dc.identifier.urihttp://hdl.handle.net/11012/196737
dc.language.isoencs
dc.publisherMDPIcs
dc.relation.ispartofMOLECULEScs
dc.relation.urihttps://www.mdpi.com/1420-3049/26/3/585cs
dc.rightsCreative Commons Attribution 4.0 Internationalcs
dc.rights.accessopenAccesscs
dc.rights.sherpahttp://www.sherpa.ac.uk/romeo/issn/1420-3049/cs
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/cs
dc.subjectautocatalysisen
dc.subjectnon-equilibrium thermodynamicsen
dc.subjectrate equationen
dc.subjectreaction kineticsen
dc.titleNon-Equilibrium Thermodynamics View on Kinetics of Autocatalytic Reactions—Two Illustrative Examplesen
dc.type.driverarticleen
dc.type.statusPeer-revieweden
dc.type.versionpublishedVersionen
sync.item.dbidVAV-170221en
sync.item.dbtypeVAVen
sync.item.insts2021.05.17 12:53:04en
sync.item.modts2021.05.17 12:14:07en
thesis.grantorVysoké učení technické v Brně. Fakulta chemická. Ústav fyzikální a spotřební chemiecs
thesis.grantorVysoké učení technické v Brně. Fakulta chemická. Centrum materiálového výzkumucs
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