A MOLECULAR-ORBITAL MODEL OF DEHYDRATION REACTIONS ON AN AMORPHOUS SILICA SURFACE

Authors
BRANDA MM CASTELLANI NJ
Citation
Mm. Branda et Nj. Castellani, A MOLECULAR-ORBITAL MODEL OF DEHYDRATION REACTIONS ON AN AMORPHOUS SILICA SURFACE, Surface science, 393(1-3), 1997, pp. 171-178
Citations number
20
Journal title
Surface science → ACNP
ISSN journal
00396028
Volume
393
Issue
1-3
Year of publication
1997
Pages
171 - 178
Database
ISI
SICI code
0039-6028(1997)393:1-3<171:AMMODR>2.0.ZU;2-K
Abstract
A theoretical study at the molecular level is presented for the most i mportant dehydration reactions taking place on amorphous silica surfac es. The influence of different degrees of rigidity has also been consi dered. Results are contrasted with previous theoretical data based on a Monte Carlo simulation for this kind of material. (C) 1997 Elsevier Science B.V.