CHARACTERIZATION OF ACIDIC GROUPS IN FUNCTIONALIZED MESOPOROUS SILICA USING QUANTUM CHEMICAL SIMULATIONS

摘要

In 1992, researchers from Mobil devised a novel way to synthesize mesoporous silica based structures by hydrothermal reaction of aluminosilicate gels in the presence of quaternary ammonium surfactants . These structures were called the MCM-41 family of silica based mesostructures. TEM images of a sample showed a regular array of hexagonal channels in the calcined MCM-41 structures. The BET surface area reported for this structure was >1000 m~2/g. Since their discovery, mesoporous materials have attracted a lot of attention in the fields of catalysis, separation and advanced materials. Catalyst heterogenization can be achieved by tethering functional organic groups to the mesoporous silica surface.