Rates of Reactions as a Mathematical Consequence of the Permanence of Atoms and the Role of Independent Reactions in the Description of Reaction Kinetics.

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dc.contributor.authorPekaƙ, Miloslavcs
dc.coverage.issue35cs
dc.coverage.volume6cs
dc.date.issued2018-09-01cs
dc.description.abstractLinear algebra treatment of the permanence of atoms (mass conservation) naturally leads to the transformation of formation or destruction rates of components of a reaction mixture into rates of reaction steps, which are sufficient to describe the transformations mathematically. These steps form a scheme of independent reactions which can provide a rational basis for elucidating the reaction mechanism (network) while reducing both the component and parametric dimensionality of the description of kinetics. Several particular reaction examples are used to explain the method and show that rates of additional, dependent reactions cannot be unambiguously related to measured component rates. They also illustrate how the rates of dependent reactions can be correctly expressed in terms of the rates of independent reactions. The method starts only with a knowledge of the components of a reaction mixture. It is argued that the design of consistent reaction networks or mechanisms should take into account not only chemistry but also mathematics.en
dc.formattextcs
dc.format.extent1-10cs
dc.format.mimetypeapplication/pdfcs
dc.identifier.citationFrontiers in Chemistry. 2018, vol. 6, issue 35, p. 1-10.en
dc.identifier.doi10.3389/fchem.2018.00287cs
dc.identifier.issn2296-2646cs
dc.identifier.orcid0000-0002-3878-0917cs
dc.identifier.other150213cs
dc.identifier.urihttp://hdl.handle.net/11012/193223
dc.language.isoencs
dc.publisherFrontierscs
dc.relation.ispartofFrontiers in Chemistrycs
dc.relation.urihttps://www.frontiersin.org/article/10.3389/fchem.2018.00287/fullcs
dc.rightsCreative Commons Attribution 4.0 Internationalcs
dc.rights.accessopenAccesscs
dc.rights.sherpahttp://www.sherpa.ac.uk/romeo/issn/2296-2646/cs
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/cs
dc.subjectkineticsen
dc.subjectreaction rateen
dc.subjectindependent reactionsen
dc.subjectdimensionality reductionen
dc.subjectstoichiometryen
dc.titleRates of Reactions as a Mathematical Consequence of the Permanence of Atoms and the Role of Independent Reactions in the Description of Reaction Kinetics.en
dc.type.driverarticleen
dc.type.statusPeer-revieweden
dc.type.versionpublishedVersionen
sync.item.dbidVAV-150213en
sync.item.dbtypeVAVen
sync.item.insts2025.02.03 15:37:54en
sync.item.modts2025.01.17 18:39:54en
thesis.grantorVysokĂ© učenĂ­ technickĂ© v Brně. Fakulta chemickĂĄ. Centrum materiĂĄlovĂ©ho vĂœzkumucs
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