화학공학소재연구정보센터
Journal of Physical Chemistry B, Vol.102, No.21, 4045-4048, 1998
Grand canonical Monte Carlo investigation of water adsorption in heulandite-type zeolites
The grand canonical Monte Carlo technique has been employed to investigate the sorption sites of water molecules in heulandite-type zeolites. The results obtained reveal low-energy regions for the adsorption of water and provide detailed models for the interactions between the water molecules, extraframework cations, and the framework.