Local reactivity index as descriptor of benzene adsorption in cluster models of exchanged zeolite-Y

Juan C. Santos, Eduardo Chamorro, Renato Contreras, Patricio Fuentealba

Resultado de la investigación: Article

7 Citas (Scopus)

Resumen

The adsorption of benzene over sites I, II and III of Cu- and Na-exchanged zeolite-Y, has been studied using the energy profiles for the host-guess interaction, and electronic descriptors of reactivity such as the electronic chemical potential and a local σk index recently defined. Both, the energy and the reactivity index based models consistently complement each other to give a correct interpretation of the reactivity and selectivity patterns experimentally established for these systems.

Idioma originalEnglish
Páginas (desde-hasta)612-616
Número de páginas5
PublicaciónChemical Physics Letters
Volumen383
N.º5-6
DOI
EstadoPublished - 15 ene 2004

Huella dactilar

Zeolites
Chemical potential
Benzene
reactivity
benzene
Adsorption
adsorption
electronics
complement
selectivity
energy
profiles
interactions

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Citar esto

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Local reactivity index as descriptor of benzene adsorption in cluster models of exchanged zeolite-Y. / Santos, Juan C.; Chamorro, Eduardo; Contreras, Renato; Fuentealba, Patricio.

En: Chemical Physics Letters, Vol. 383, N.º 5-6, 15.01.2004, p. 612-616.

Resultado de la investigación: Article

TY - JOUR

T1 - Local reactivity index as descriptor of benzene adsorption in cluster models of exchanged zeolite-Y

AU - Santos, Juan C.

AU - Chamorro, Eduardo

AU - Contreras, Renato

AU - Fuentealba, Patricio

PY - 2004/1/15

Y1 - 2004/1/15

N2 - The adsorption of benzene over sites I, II and III of Cu- and Na-exchanged zeolite-Y, has been studied using the energy profiles for the host-guess interaction, and electronic descriptors of reactivity such as the electronic chemical potential and a local σk index recently defined. Both, the energy and the reactivity index based models consistently complement each other to give a correct interpretation of the reactivity and selectivity patterns experimentally established for these systems.

AB - The adsorption of benzene over sites I, II and III of Cu- and Na-exchanged zeolite-Y, has been studied using the energy profiles for the host-guess interaction, and electronic descriptors of reactivity such as the electronic chemical potential and a local σk index recently defined. Both, the energy and the reactivity index based models consistently complement each other to give a correct interpretation of the reactivity and selectivity patterns experimentally established for these systems.

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DO - 10.1016/j.cplett.2003.11.083

M3 - Article

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

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