APPLICATION OF MODELING IN ZEOLITE SCIENCE

Zeolites form an important class of inorganic materials with an enormo us industrial interest which derives from their molecular sieving, ion -exchange and catalytic properties. The research in this field now tak es advantage on advanced modeling programs which allow us to examine i n details the structure of these complex materials and their interacti ons with adsorbed species both under static or dynamic conditions. The information obtained is often fundamental for better understanding of the mechanism of formation of these materials and their shape selecti ve properties. In this paper, selected applications of modeling in zeo lite science are presented and discussed. (C) 1998 Elsevier Science B. V. All rights reserved.