Analysis of Chemically Bonded Silica Gel by Computational Chemistry

Abstract

Several forms of silica gels were constructed by Molecular Mechanics calculation. The structure of a designed silica gel is limited because of the requirement of physical strength and the maximum bonding. The number of silanol groups was a half that of the silicon atoms on the surface of the silica gels. All the silanol groups can be completely silanized with chloro- silane reagent to make a chemically stable bonded phase from the theory.