INVESTIGADORES
BRANDA Maria Marta
artículos
Título:
The distribution of silanols on the amorphous silica surface:a Monte Carlo simulation
Autor/es:
M.M. BRANDA; R.A. MONTANI; N.J. CASTELLANI
Revista:
SURFACE SCIENCE
Editorial:
Elsevier
Referencias:
Año: 2000 p. 89 - 94
ISSN:
0039-6028
Resumen:
A study of the heterogeneity of surface silanols over partially dehydrated amorphous silica has been carried out
by a Monte Carlo simulation. For this purpose the presence of (100) and (111) face patches on the surface is
considered. Before the dehydration, the surface is composed only of single and geminal silanols. After this process
begins, the surface sites are also vicinal and empty. Two silanols have a hydrogen bridge linking each other depending
on the local geometric structure. The simulation shows that the distribution of the silanols over the silica surface is
random at all the temperatures considered.