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Energetically Stable Conformations of Nylon 66 and Nylon 6 Molecules in Crystals
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Intramolecular interaction energies are calculated for nylon 66 and nylon 6 with the amide planes fixed, rotating all skeletal bonds of hexamethylene moiety of nylon 66 and those of pentamethylene moiety of nylon 6. Five stable conformations with an inversion center are found to exist for nylon 66, while only the all-trans conformation is shown to be stable for nylon 6. This is consistent with the fact that the phase transition is observed only in nylon 66 crystal.
Title: Energetically Stable Conformations of Nylon 66 and Nylon 6 Molecules in Crystals
Description:
Intramolecular interaction energies are calculated for nylon 66 and nylon 6 with the amide planes fixed, rotating all skeletal bonds of hexamethylene moiety of nylon 66 and those of pentamethylene moiety of nylon 6.
Five stable conformations with an inversion center are found to exist for nylon 66, while only the all-trans conformation is shown to be stable for nylon 6.
This is consistent with the fact that the phase transition is observed only in nylon 66 crystal.
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