LIQUID-CRYSTALLINE POLYMERS - MOLECULAR SIMULATION OF SOME POLYETHERSCONTAINING OXETANIC RINGS IN THE MAIN-CHAIN

This paper presents a conformational analysis of some polyethers conta ining the oxetanic ring in the main chain. The studied polymers were s ynthesized by phase transfer catalysis, using 3,3-bis(chloromethyl)oxe tane and various bisphenols. The analysis was performed using the Ceri us(2) program (version 2.0) molecular simulation software for material science, designed by Molecular Simulations Incorporated (MSI). This s tudy tries to elucidate some aspects concerning the difficulties appea ring in the liquid crystalline property's characterization. These diff iculties are induced by the cross-linking processes that take place in certain situations due to the opening of the oxetanic rings at high t emperature. (C) 1997 Elsevier Science Ltd.