Theoretical study of the surface structure of silica-supported zirconium sulfate

A theoretical study of the surface structure of silica-supported zirconium sulfate tetrahydrate with high catalytic activity for synthesis of 2-ethoxy ethyl acetate has been investigated using the ASED-MO method (including ato mic repellent energy). The structure models of zirconium sulfate tetrahydra te and silica have been built. The binding morphology, charge distribution and energy change were also studied. It is deduced that the strong interact ions between the active composition and support through hydrogen binding an d dehydrate mode promise that zirconium sulfate tetrahydrate can disperse u niformly on the surface of support.