Heat-exchange ability of zeolites and construction of crystal chemical indication of material design for zeolite heat-absorbents

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Crystal chemical study of chabazite and heulandite by single crystal X-ray diffraction has been conducted to obtain important knowledge for construction of crystal chemical indication of material design for zeolite heat-absorbents in the zeolite-water heat pump system. Crystallographic configurations of water molecules and exchangeable cations in these zeolites have been determined, and the interatomic interactions, especially the hydrogen bonds between framework O atoms and water molecules, have been examined. In terms of crystal chemistry, the dehydration process of chabazite, closely related to its heat-exchange property, has been elucidated by following variation of site occupancy with dehydration.