Quantum-chemical simulation for production technologies of high-strength Zylon fibers

Abstract

Using computer simulation methods, the geometry of the blocks that make up the Zylon polymer chain was established, the impossibility of the existence of a strictly linear polymer was shown, as well as the rotational barrier of the conformational transition of the benzobisoxazole block. computed. An assumption was made about the possibility of the transition of Zylon into various conformational states when creating high-strength fibers.