Abstract

This chapter presents a characterization of hypothetical zeolite frameworks. A series of hypothetical zeolite structures have been evaluated based on calculated lattice energies and structural properties. The structures are those generated by Delgado and coworkers, using recent advances in tiling theory. Treating each structure as a silica polymorph, relative lattice energies, framework densities, and coordination sequences are calculated. An automated procedure uses these quantities and correlations between them to make an initial selection of likely candidate zeolite structures.

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