Local reactivity index as descriptor of benzene adsorption in cluster models of exchanged zeolite-Y
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Archivos
Fecha
2004-01
Profesor/a Guía
Facultad/escuela
Idioma
en
Título de la revista
ISSN de la revista
Título del volumen
Editor
Elsevier
Nombre de Curso
Licencia CC
Licencia CC
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.
Notas
Indexación: Scopus.
Palabras clave
Chemical Reactivity, Electronegativity, Parr, benzene, copper, sodium, zeolite
Citación
Chemical Physics Letters, Volume 383, Issue 5-6, 15 January 2004, Pages 612-616
DOI
DOI: 10.1016/j.cplett.2003.11.083