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Dehydroaromatization of methane under non-oxidative conditions over bifunctional Mo/ITQ-2 catalysts

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Dehydroaromatization of methane under non-oxidative conditions over bifunctional Mo/ITQ-2 catalysts

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dc.contributor.author Martinez Feliu, Agustin es_ES
dc.contributor.author Peris Chanzá, Ernesto José es_ES
dc.contributor.author Sastre Navarro, German Ignacio es_ES
dc.date.accessioned 2017-03-14T12:05:06Z
dc.date.available 2017-03-14T12:05:06Z
dc.date.issued 2005-10-30
dc.identifier.issn 0920-5861
dc.identifier.uri http://hdl.handle.net/10251/78763
dc.description.abstract [EN] Bifunctional Mo/ITQ-2 catalysts have been used for the methane dehydroaromatization (MDA) reaction. The Si/Al ratio, and thus the Brønsted acidity, of the zeolite affected the conversion, the formation rate of aromatics, and the selectivity to the different products (CO, C2, benzene, toluene, and naphthalene). Maximum activity and aromatics productivity were obtained for the zeolite with the lowest Si/Al ratio (Si/ Al = 15) presenting the highest Brønsted acidity, while maximum benzene selectivity ( 70%) occurred for the zeolite with Si/Al = 25. The selectivity to naphthalene increased with decreasing the Si/Al ratio, that is, with increasing the density of surface Brønsted acid sites. At comparable Si/Al ratio, Mo/MCM-22 was more active and selective to benzene than Mo/ITQ-2. Reduction of surface acidity in ITQ-2 by treatment with oxalic acid significantly reduced the formation of naphthalene, resulting in enhanced benzene selectivity ( 75%). The acidtreated ITQ-2 was even more selective to benzene than the Mo/MCM-22 catalyst ( 65%). Molecular dynamics simulations were performed at the MDA reaction temperature (973 K) to study the diffusion of naphthalene in the two independent pore systems of MCM-22. The theoretical results allowed explaining the differences in selectivity between the two zeolite structures and the effect of surface dealumination in ITQ-2. # 2005 Elsevier B.V. All rights reserved es_ES
dc.description.sponsorship Financial support by the Comisio´n Interministerial de Ciencia y Tecnologı´a (CICYT) of Spain through the projects MAT2001-2726 and MAT2003-07769-C02-01 is gratefully acknowledged. E.P. thanks the Ministerio de Ciencia y Tecnologı´a for a Ph.D. scholarship. We also thank CIEMAT (Centro de Investigaciones Energe´ticas, Medioambientales y Tecnolo´gicas) for the use of their computational facilities.
dc.language Inglés es_ES
dc.publisher Elsevier es_ES
dc.relation.ispartof Catalysis Today es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Methane dehydroaromatization es_ES
dc.subject Bifunctional catalyst es_ES
dc.subject Molybdenum es_ES
dc.subject Delaminated zeolite es_ES
dc.subject ITQ-2 es_ES
dc.subject Molecular dynamics simulation es_ES
dc.title Dehydroaromatization of methane under non-oxidative conditions over bifunctional Mo/ITQ-2 catalysts es_ES
dc.type Artículo es_ES
dc.type Comunicación en congreso
dc.identifier.doi 10.1016/j.cattod.2005.07.051
dc.relation.projectID info:eu-repo/grantAgreement/MICYT//MAT2001-2726/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MICYT//MAT2003-07769-C02-01/ es_ES
dc.rights.accessRights Cerrado es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto de Reconocimiento Molecular y Desarrollo Tecnológico - Institut de Reconeixement Molecular i Desenvolupament Tecnològic es_ES
dc.description.bibliographicCitation Martinez Feliu, A.; Peris Chanzá, EJ.; Sastre Navarro, GI. (2005). Dehydroaromatization of methane under non-oxidative conditions over bifunctional Mo/ITQ-2 catalysts. Catalysis Today. 107-108:676-684. https://doi.org/10.1016/j.cattod.2005.07.051 es_ES
dc.description.accrualMethod S es_ES
dc.relation.conferencename 19th Ibero American Catalysis Symposium
dc.relation.conferencedate 2004
dc.relation.conferenceplace Merida, Mexico
dc.relation.publisherversion http://dx.doi.org/10.1016/j.cattod.2005.07.051 es_ES
dc.description.upvformatpinicio 676 es_ES
dc.description.upvformatpfin 684 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 107-108 es_ES
dc.relation.senia 27659 es_ES
dc.contributor.funder Ministerio de Ciencia y Tecnología es_ES


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