Journal
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
Volume 24, Issue 3, Pages -Publisher
MDPI
DOI: 10.3390/ijms24032734
Keywords
polyamidation; in situ silylation; poly(p-phenylene terephthalamide) (PPTA); Kevlar; NMR; DFT molecular simulation
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By modifying the polyamidation method and using in situ silylated diamines and acid chlorides, a rod-type polyamide, poly(p-phenylene terephthalamide) (PPTA), with a significantly higher molecular weight than the classical and industrial method was obtained. The optimization of the method involved the use of a mixture of pyridine and a high-pKa tertiary amine along with the silylating agent. Nuclear magnetic resonance and molecular simulation studies confirmed that the increase in molecular weight was mainly attributed to the formation of silylamide groups in the polymer chain.
By employing a variation of the polyamidation method using in situ silylated diamines and acid chlorides, it was possible to obtain a rod-type polyamide: poly(p-phenylene terephthalamide) (PPTA, a polymer used in the high-value-added material Kevlar), with a molecular weight much higher than that obtained with the classical and industrial polyamidation method. The optimization of the method has consisted of using, together with the silylating agent, a mixture of pyridine and a high-pKa tertiary amine. The research was complemented by a combination of nuclear magnetic resonance and molecular simulation studies, which determined that the improvements in molecular weight derive mainly from the formation of silylamide groups in the growing polymer.
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