MOLECULAR MODELING OF THE STRUCTURE OF POLYACRYLONITRILE FIBERS

In spite of considerable effort, attempts to explain the physical stru cture of fibres based on atactic polyacrylonitrile have so far met onl y with Limited success. This paper shows that molecular modelling, use d in conjunction with X-ray diffraction, provides an essential additio nal input for explaining the nature of the 'ordered regions' in these fibres. It is suggested that these ordered regions, consisting of regu larly assembled irregular helices, should be viewed as 'configurationa lly disordered crystals'.