To clarify the origine of superior mechanical properties of poly (p-phenyleneterephthalamide) fiber, x-ray scattering and birefringence studies as well as crystal structure determination were made. The following results were obtained.
1) The unit cell was monoclinic with a=9.39Å, b=5.20Å, c=13.0Å (fiber axis) and γ=56.4°, in which two chemical repeating units were packed. The space group was C2h-5(P2
1/a). The calculated crystal density, 1.50g/cm was slightly higher than the observed value (1.43g/cm
3).
2) The hydrogen-bonded sheets coincide with the (100) plane in which every amide group participated in the formation of hidrogen bond with the distance (N…0) of 3.0Å. The molecular chain conformation was given by rotating the benzene rings alternatively by 38° from the amide plane.
3) The fine structure consisting of many pillar-shaped micro-fibrills was deduced from the fact that only equatorial steak was observed in small angle x-ray scattering pattern and the mean diameter of about 70Å was given by analysis of Hosemann plot on the (100) plane.
4) The calculated birefringence of perfectly uniaxial oriented specimen was 0.415 which was less than the observed value of 0.475. From this fact and the absence of long period, the pillar-shaped micro-fibrill structure is considered to consist of extended molecular chains.
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