NOBLE-GAS CLUSTERS IN MODEL ZEOLITE CAVITIES

Noble gas atoms trapped in the intracrystalline cavities of zeolites m ay form clusters. A classical-mechanical isoenergetic molecular dynami cs simulation is performed to simulate the dynamical behavior of noble gas clusters in zeolite cavities. To implement the simulation, a mode l is adopted of a homogeneous spherical cavity with Morse interaction between the noble gas atoms and cavity walls. The results for Ar6 clus ters indicate that the noble gas clusters in the cavity undergo the sa me solid/liquid phase changes as in free space, and, at high enough en ergies, a rapid exchange between atoms adsorbed on the inner surface a nd thosein the interior of the cavity. Mathematical quenching is used to investigated the multidimensional potential surface of Ar clusters in the cavity.