Liquid crystalline polymers: molecular simulation of some polyethers containing oxetanic rings in the main chain

被引：22
作者：
Pavel, D
Ball, JM
Bhattacharya, SN
Shanks, RA
Hurduc, N
机构：
[1] ROYAL MELBOURNE INST TECHNOL,MELBOURNE,VIC 3001,AUSTRALIA
[2] GH ASACHI TECH UNIV,DEPT MACROMOL,IASI,ROMANIA
来源：
COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE | 1997年 / 7卷 / 01期
关键词：
molecular simulation; liquid crystals; oxetanic ring; molecular mechanics; conformational analysis;
D O I：
10.1016/S1089-3156(97)00002-0
中图分类号：
O63 [高分子化学（高聚物）];
学科分类号：
070305 ; 080501 ; 081704 ;
摘要：
This paper presents a conformational analysis of some polyethers containing the oxetanic ring in the main chain. The studied polymers were synthesized by phase transfer catalysis, using 3,3-bis(chloromethyl)oxetane and various bisphenols. The analysis was performed using the Cerius(2) program (version 2.0) molecular simulation software for material science, designed by Molecular Simulations Incorporated (MSI). This study tries to elucidate some aspects concerning the difficulties appearing in the liquid crystalline property's characterization. These difficulties are induced by the cross-linking processes that take place in certain situations due to the opening of the oxetanic rings at high temperature. (C) 1997 Elsevier Science Ltd.
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页码：7 / 11
页数：5
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