NMR study of microscopic mechanism of water molecules diffusion in natrolite.

The mineral natrolite is a good object for studying the features of the molecular mobility of water molecules in spatially restricted structures by NMR techniques. The microscopic mechanisms of water molecule mobility in channels of monocrystal natural zeolite natrolite (Na16 Al16 Si24 O80 ·16H2 O) have been investigated by broad-line (CW) NMR method. The CW NMR method, which accurately reproduces the shape of a Pake doublets of water molecules, has made it possible to trace diffusion of individual water molecules between specific positions in the crystal lattice as a function of temperature, which is important in understanding diffusion mechanisms in narrow channels of natrolite, where a diameter of the channel is smaller than the diameter of the water molecule. It has been shown that at temperatures higher than 250 K the regular diffusion of water molecules along the Schottky defects located along channels parallel to the c-crystal axis is a main kind of water molecules mobility. At temperature higher than 350 K the diffusion of water molecules in transversal channels of natrolite was observed also. Using the structural data the possible pathways of water molecules diffusion in natrolite channels have been discussed. The relationship between diffusion of water molecules and the dynamics of the zeolite framework and sodium cations is discussed on the basis of the assumption non-Markovian characte of diffusion in natrolite.