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dc.creatorMaćešić, Stevan
dc.creatorČupić, Željko
dc.creatorNovaković, Katarina
dc.creatorParker, Julie
dc.creatorAnić, Slobodan
dc.creatorKolar-Anić, Ljiljana
dc.date.accessioned2019-07-02T14:04:34Z
dc.date.available2019-07-02T14:04:34Z
dc.date.issued2019
dc.identifier.issn0340-6253
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/2999
dc.description.abstractThe reaction mechanism of palladium-catalysed oscillatory carbonylation of poly(ethylene glycol)methyl ether acetylene (PEGA) was examined by stoichiometric network analysis (SNA) of the stability of the dynamic states. The previously published simplified reaction network proposed to account for the experimentally observed results was modified in order to obtain a more realistic reaction network for the investigated process. In the modified reaction network, the direct autocatalytic steps were replaced with autocatalytic loops. In this procedure some complex net reactions had to be resolved, while some new reactions had to be taken into account, altering the reaction mechanism responsible for the appearance of oscillation. Moreover, in the modified reaction network, the expressions for reaction rates correspond formally to their stoichiometry in accordance to mass action kinetics. The SNA identified the instability condition which was further tested and confirmed by numerical simulation.sr
dc.language.isoensr
dc.publisherUniversity of Kragujevacsr
dc.relationinfo:eu-repo/grantAgreement/MESTD/Integrated and Interdisciplinary Research (IIR or III)/45001/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172015/RS//
dc.rightsopenAccesssr
dc.sourceMatch: Communications in Mathematical and in Computer Chemistrysr
dc.titleOscillatory Carbonylation of Poly(Ethylene Glycol)Methyl Ether Acetylene. Modelling of Reaction Mechanism and Stoichiometric Network Stability Analysissr
dc.typearticlesr
dc.rights.licenseARRsr
dcterms.abstractЧупић, Жељко; Паркер, Јулие; Aнић, Слободан; Колар-Aнић, Љиљана; Новаковић, Катарина; Маћешић, Стеван;
dc.rights.holderUniversity of Kragujevacsr
dc.citation.volume81
dc.citation.spage5
dc.citation.epage34
dc.citation.rankM22~
dc.identifier.scopus2-s2.0-85057077722
dc.identifier.wos000466061600001
dc.type.versionpublishedVersionsr


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