Monte Carlo Investigations of the Water Adsorption Behavior in MFI Type Zeolites for different Si/Al Ratios with Regard to Heat Storage Applications

Adsorption processes are turning more and more important for heat transformation applications like thermally driven heat pumps and cooling cycles as well as heat storage. Standard adsorption materials have not been developed for these purposes. New materials are necessary in order to improve the adsorption characteristics for these applications. Molecular simulations are seen as a promising tool to investigate the influence of molecular structure on the adsorption characteristics and thus to provide means for future improvements of such materials for application in heat transformation.