Adsorption of Water in the Zeolites NaX and NaY

Abstract

Zeolite is one of the functional materials controling air qualities, such as humidity or environmental particles. To predict and control adsorption or diffusion process precisely, it is important to clarify the structural and dynamical properties of adsorbed substances inside zeolite on a molecular level. In the present study, x-ray diffraction measurement and molecular dynamics simulation of zeolites NaX and NaY with various amount of water were carried out to clarify the distribution of water inside zeolites. The both results show that water molecules are distributed orderly inside zeolites and Na atoms strongly affect the distribution of water.