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Published in:
01-04-2004 | Original Contribution
Computer experiments on crystalline nylons: structural analysis of nylons with large aliphatic segments
Published in: Colloid and Polymer Science | Issue 6/2004
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Abstract
A theoretical study based on force-field calculations has been performed to investigate the structural preferences of crystalline even nylons n with large and very large aliphatic segments. Atomistic energy calculations and Monte Carlo simulations were carried out considering the conventional α and γ forms of nylons 10, 12, 18, 24, and 32. Results indicated that the γ form is the most favored for nylons 10, 12, 18, and 24. However, the γ structure was unstable for nylon 32, a polymer in which the density of hydrogen bonds is almost negligible. In this case, the α arrangement is energetically more favored than the γ one.