Features of Hydrogen Bonds in Aromatic Polyamides Containing Benzimidazole Groups According to Ab Initio Quantum Chemical Calculations

Abstract

Results of the analysis of the influence of hydrogen bonds in aromatic polyamides on technological processing methods for the production of heavy-duty aramid yarns CVM, Rusar, and Ruslan are presented herein. Quantum-chemical calculations of model fragments in conjunction with vibrational spectra in the infrared range have shown that, depending on the hydrogen bonds between the benzimidazole groups, “self-orientation” processes emerge caused by the increase in energy of the hydrogen bonds in the aramid yarns and fibers. This explains the uniquely high values describing mechanical properties of the yarns and their performance characteristics in cloths, plastics, and spool products.