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Mathematical investigations of a kinetic model for glycerol hydrogenolysis via heterogeneous catalysis

2022-04Journal article Open access
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dc.contributor.authorCosta, Fernando Pestana da
dc.contributor.authorNdlovu, Thandokuhle Quinton
dc.contributor.authorShozi, Mzamo
dc.date.accessioned2022-04-18T13:59:44Z
dc.date.available2022-04-18T13:59:44Z
dc.date.issued2022-04
dc.description.abstractIn this paper we report on some mathematical investigations of the chemical process for the hydrogenolysis of glycerol over a heterogeneous metal catalyst. The main interest of this process is related to the fact that glycerol is produced as a by-product in the production of biodiesel in huge amounts that are expected to exceed the projected demands. This makes the sustainability of biodiesel production depend on the conversion of the glycerol into useful products hence it is a desirable goal to have effective conversion methods. A reaction model from literature is used to derive a system of ordinary differential equations (ODE) which is then analysed using methods from qualitative analysis of ODEs. Numerical solutions of the system are simulated to try and find out the solution’s behaviour in the chemistry point of view. It was found that all solutions of the model converge to some stable limit point in a 2-dimensional plane in the positive cone of the R5 phase space, and the limit point depends on the values of rate constants ki as well as on the hydrogen to glycerol initial ratios. Even though the results are based on a specific kinetic model, it is hoped that they may help in providing tools for better understanding and description of the reaction.pt_PT
dc.description.sponsorshipThe authors acknowledge the African Institute for Mathematical Sciences (AIMS)-ZA and The MasterCard foundation for funding this work. FPdC was partially supported by FCT/Portugal through CAMGSD, IST-ID , projects UIDB/04459/2020 and UIDP/04459/2020.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationMathematical Investigations of a Kinetic Model for Glycerol Hydrogenolysis Via Heterogeneous Catalysis, MATCH Commun. Math. Comput. Chem. 88 (2), (2022) 437-460pt_PT
dc.identifier.doi10.46793/match.88-2.437Npt_PT
dc.identifier.issn0340-6253
dc.identifier.urihttp://hdl.handle.net/10400.2/11888
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherFaculty of Science, University of Kragujevacpt_PT
dc.relationCenter for Mathematical Analysis, Geometry and Dynamical Systems
dc.relationCenter for Mathematical Analysis, Geometry and Dynamical Systems
dc.relation.publisherversionhttps://match.pmf.kg.ac.rs/issues/m88n2/m88n2_437-460.htmlpt_PT
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/4.0/pt_PT
dc.subjectGlycerol hydrogenolysispt_PT
dc.subjectMathematical modelling of chemical reactionspt_PT
dc.titleMathematical investigations of a kinetic model for glycerol hydrogenolysis via heterogeneous catalysispt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleCenter for Mathematical Analysis, Geometry and Dynamical Systems
oaire.awardTitleCenter for Mathematical Analysis, Geometry and Dynamical Systems
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04459%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04459%2F2020/PT
oaire.citation.conferencePlaceKragujevac, Serviapt_PT
oaire.citation.endPage460pt_PT
oaire.citation.startPage437pt_PT
oaire.citation.titleMATCH: Communications in Mathematical and in Computer Chemistrypt_PT
oaire.citation.volume88pt_PT
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
person.familyNameCosta
person.familyNameNdlovu
person.familyNameShozi
person.givenNameFernando Pestana da
person.givenNameThandokuhle Quinton
person.givenNameMzamo
person.identifier.ciencia-id1610-6502-E6C5
person.identifier.orcid0000-0002-9072-797X
person.identifier.orcid0000-0003-3489-1481
person.identifier.orcid0000-0001-7666-2543
person.identifier.ridK-5942-2013
person.identifier.scopus-author-id14827970300
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccesspt_PT
rcaap.typearticlept_PT
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