COMPUTER MODELING OF PORE-SPACE IN ZEOLITES

A simple and efficient method is presented here to visualize empty reg ions-cavities and channels-in zeolites by using computers. With the he lp of these visualization programs one can learn more about the geomet ry of the pore structure of these periodic microporous solids. importa nt physical parameters such as cavity sizes and channel connectivities can also be determined during the process. By using statistical analy sis additional information can be obtained about the porosity of these systems. (C) Elsevier Science Inc. 1997.