THE APPLICATION OF MOLECULAR SIMULATION TO THE RATIONAL DESIGN OF NEW MATERIALS .1. STRUCTURE AND MODELING STUDIES OF LINEAR EPOXY SYSTEMS

被引:15
作者
BARTON, JM
BUIST, GJ
DEAZLE, AS
HAMERTON, I
HOWLIN, BJ
JONES, JR
机构
[1] UNIV SURREY,DEPT CHEM,GUILDFORD GU2 5XH,SURREY,ENGLAND
[2] ROYAL AEROSP ESTAB,DEPT MAT & STRUCT,DEF RES AGCY,DIV AEROSP,FARNBOROUGH GU14 6TD,HANTS,ENGLAND
关键词
LINEAR EPOXY SYSTEM; TORSIONAL ANGLES; CONFORMATIONAL ANALYSIS;
D O I
10.1016/0032-3861(94)90089-2
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
The variation in torsional angles for a model linear epoxy system was studied as a function of applied stress and temperature. It was found that all of the torsional angles demonstrate a population migration from a lower to a higher energy state upon the application of an external stress. Subtle changes in torsional angle values under these conditions result in large energy differences.
引用
收藏
页码:4326 / 4333
页数:8
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