The Analysis of Non-Crystalline Phases of Polymer Systems
A method for the identification of non-crystalline phases of any polymer systems is described. The method consists of the following steps: defining three-dimensional coordinates of the atoms in space, using a priori knowledge of conformational structure of macromolecules of the test compound; identifying all the inter-atomic distances in the molecule based on the available knowledge of the coordinates of the atoms of different types; calculating the existing inter-atomic distances and scattering power of atoms in a single molecule in a given range of diffraction angles, using the Debye formula and a weight factor. The total diffraction curve for a non-crystalline component is best obtained using the Debye formula for intramolecular scattering simulation of the macromolecule fragment with the immediate environment.