Abstract
Semi-empirical atom-atom potentials and statistical mechanics have been used to study the conformations of poly- m-phenylene isophthalamide (PPIP) in dilute solutions and in the crystalline state. Conformation statistical calculations established the main structural and energetical factors on which the large equilibrial polymer chain flexibility depends and the behaviour of PPIP in dilute solutions. Two of the likely conformations in response to the translational periodicity conditions and the energy minimum of intra- and intermolecular reactions have been determined in the crystal. Agreement has been found between theoretical and experimental results.
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