Molecular Dynamics Studies on the Stability of Cage-like Polysilicate Ions in Tma Aqueous Solution

摘要

Zeolite crystallization assisted by organic cations, typically tetraalkylammonium cations (TAA), involves complex solution and colloidal chemistry. A host of modern analytical techniques have been employed in studies aimed at elucidating the molecular processes that take place. A detailed understanding of the atomic scale mechanisms of the template-assisted formation of these materials is a prerequisite before we are able to develop rational strategies for their design which remains chiefly an empirical endeavour and usually requires very costly trial-and-error modifications to reagents and conditions.