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Further Investigations of the New Structural Model of PANI/CSA Conducting Polymer System
Author(s) -
Śniechowski Maciej,
Kozik Tomasz,
Niedźwiedź Wojciech,
Łużny Wojciech
Publication year - 2016
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201600010
Subject(s) - polyaniline , diffraction , orthorhombic crystal system , materials science , anisotropy , debye , polymer , crystallography , physics , chemistry , optics , condensed matter physics , composite material , polymerization
In a recent paper, a new structural model of polyaniline (PANI) doped with camphorsulfonic acid (CSA) obtained by molecular dynamics simulations is proposed. This model is characterized by double layers of PANI separated by double layers of CSA. Here some new evidences for the correctness of the new model are shown, drawn from the comparison of its calculated diffraction patterns with experimental data. First, the powder diffraction patterns are calculated from the Debye formula and by a custom algorithm. This makes it possible to describe the anisotropy of all diffraction peaks by giving their pole figures. The orientations of all crystal planes and their indexations (obtained independently from the average orthorhombic unit cell proposed for the model structure) are consistent, and this description agrees well with already published results of experimental study of PANI/CSA thin films performed with the use of synchrotron radiation surface diffraction technique.