MOLECULAR MODELING OF TEMPLATED ZEOLITE SYNTHESIS

A Monte Carlo-simulated annealing (MC-SA) method has been used to pred ict the location and conformation adopted by template molecules within the bulk and on the growing surface of the zeolite products they form . This approach has been used to give a unique insight into several im portant aspects of zeolite synthesis, including structure-blocking eff ects. New approaches for novel synthesis work and computational strate gies are identified.