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 |