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Reductive N-methylation of amines using dimethyl carbonate and molecular hydrogen: Mechanistic insights through kinetic modelling

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Reductive N-methylation of amines using dimethyl carbonate and molecular hydrogen: Mechanistic insights through kinetic modelling

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dc.contributor.author Cabrero Antonino, Jose Ramón es_ES
dc.contributor.author Adam-Ortiz, Rosa es_ES
dc.contributor.author Wärnå, Johan es_ES
dc.contributor.author Murzin, Dmitry Yu. es_ES
dc.contributor.author Beller, Matthias es_ES
dc.date.accessioned 2020-10-30T04:32:04Z
dc.date.available 2020-10-30T04:32:04Z
dc.date.issued 2018-11-01 es_ES
dc.identifier.issn 1385-8947 es_ES
dc.identifier.uri http://hdl.handle.net/10251/153679
dc.description.abstract [EN] Kinetic analysis of ruthenium-catalyzed reductive N-methylation of amines using dimethyl carbonate as C1 source and molecular hydrogen as reductant has been performed. Kinetic equations have been derived and kinetic modelling has been performed for experimental data generated previously at a constant hydrogen pressure as well as for additional experiments performed at different hydrogen pressures. The study has revealed interesting kinetic features related to an induction period strongly influenced by temperature. A kinetic model has been proposed based on advanced reaction mechanism featuring transformation between different type of catalytic species and inactivation of them during the reaction. Kinetic modelling was done for all data sets together showing excellent correspondence between calculations and experiments. es_ES
dc.language Inglés es_ES
dc.publisher Elsevier es_ES
dc.relation.ispartof Chemical Engineering Journal es_ES
dc.rights Reconocimiento - No comercial - Sin obra derivada (by-nc-nd) es_ES
dc.subject Methylation es_ES
dc.subject Kinetics es_ES
dc.subject Induction period es_ES
dc.subject Modelling es_ES
dc.subject.classification QUIMICA ORGANICA es_ES
dc.title Reductive N-methylation of amines using dimethyl carbonate and molecular hydrogen: Mechanistic insights through kinetic modelling es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1016/j.cej.2018.06.174 es_ES
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Química - Departament de Química es_ES
dc.description.bibliographicCitation Cabrero Antonino, JR.; Adam-Ortiz, R.; Wärnå, J.; Murzin, DY.; Beller, M. (2018). Reductive N-methylation of amines using dimethyl carbonate and molecular hydrogen: Mechanistic insights through kinetic modelling. Chemical Engineering Journal. 351:1129-1136. https://doi.org/10.1016/j.cej.2018.06.174 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion https://doi.org/10.1016/j.cej.2018.06.174 es_ES
dc.description.upvformatpinicio 1129 es_ES
dc.description.upvformatpfin 1136 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 351 es_ES
dc.relation.pasarela S\405919 es_ES


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