Development of Integrated XRD StructureAnalytical System and Evaluations of Nematic Disordered Polymer Structure

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An analytical system operating in Windows PC computers was composed for quick and accurate XRD evaluation of versatile structures in polymeric materials. The data of powder XRD diffractometer and two-dimensional image-plate detector were processed through the visual graphic interface to the stage of structure analyses. A wide variety of functions was implemented for the automatic geometrical corrections and the extraction of the desired data, yielding the data of line intensity and width as well as the reflection geometry and unit-cell search. The graphic presentation was suited for various type of profiles against 21 (diffraction angle), (reciprocal X), J (reciprocal Y), (azimuth angle). Numerical processing can be treated between multiple data. Crystallinity, crystal size, lattice disorder, and chain orientation could be evaluated. The linked-atom Rietveld method which can hold the parameters of bond lengths and bond angles in their standard values was included for the structure analyses of three-dimensional crystal and also two-dimensional disordered nematic-like liquid-crystalline structures. The structure was evaluated by the potential energy calculations. This system was applied for the structure evaluation of a variety of electro-conducting functional polymers.