A combined theoretical and experimental study of VO(x)/Al2O3 catalyst

FERREIRA, MARÍA LUJÁN; VOLPE, MARÍA

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

ELSEVIER SCIENCE BV

Año: 1999 vol. 149 p. 33 - 42

1381-1169

In order to investigate the nature of VO(x), supported on γ-Al2O3 a combination of a theoretical study and experimental characterisation is carried out. A Molecular Orbital approach of the Extended Huckel type is performed to calculate the formation and the stabilisation energies of postulated VO(x) species. The evaluation of these energies indicates that pyrovanadates and divanadates are plausible species. Experimental characterisation of VO(x)/γ-Al2O3 catalysts was performed by TPR and Oxygen Uptake Measurements to corroborate theoretical models. Experimental results also indicate that VO(x)/γ-Al2O3 catalyst with low vanadium loading should be envisaged as supported vanadium dimers.