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The molecular structure of polyacrylonitrile fibers
Author(s) -
Hu XiaoPing
Publication year - 1996
Publication title -
journal of applied polymer science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.575
H-Index - 166
eISSN - 1097-4628
pISSN - 0021-8995
DOI - 10.1002/(sici)1097-4628(19961212)62:11<1925::aid-app17>3.0.co;2-x
Subject(s) - polyacrylonitrile , molecular dynamics , molecule , materials science , chain (unit) , liquid crystal , synthetic fiber , aperiodic graph , polymer chemistry , polymer science , polymer , computational chemistry , chemistry , composite material , fiber , organic chemistry , physics , mathematics , optoelectronics , combinatorics , astronomy
In spite of considerable effort, the understanding of the molecular structure of polyacry‐lonitrile‐based fibers is still incomplete. This paper shows that molecular modeling based on molecular mechanics and dynamics can be used to study the molecular structure of polyacrylonitrile‐based fibers with appropriate strategies. Additional information has thus been obtained which is impossible to obtain by using other instrumental techniques. It is concluded that the chain conformations of polyacrylonitrile‐based fibers are similar to those of nematic liquid crystal composites in which the chains are formed by the irregular combination of two or more species of unit groups. Hence the polyacrylonitrile molecules should be viewed as ‘aperiodic chain molecules’. © 1996 John Wiley & Sons, Inc.