The Study of Conformational Mechanism of γ-Relaxation in PEEK Chain Molecules

Chem. J. Chinese Universities ›› 1994, Vol. 15 ›› Issue (11): 1694.

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The Study of Conformational Mechanism of γ-Relaxation in PEEK Chain Molecules

SHEN Liang-Jun¹, YE Shi-Yong¹, LI Qian-Shu²

1. Department of Chemistry, Anhui Normal University, Wuhu, 241000
2. College of Chemical Engineering and Material Science, Beijing Institute of Technology

Received:1994-03-21 Revised:1994-08-10 Online:1994-11-24 Published:1994-11-24

Abstract

Abstract: In this paper AMl semiempirical quantum mechanics calculation was used to study the conformational mechanism of γ-relaxation in PEEKchain molecules.The results show that the contacted phenyl rings will adjust the relative positions when the chain segments are doing crankshaft type motion, and the activation energy of γ-relaxation is interrelated to the relative rotation barrier of phenyl rings, the barriers of crackshaft motions of chain segments and the intermolecular interactions of chains.The value of each part was estimated in this paper and the further calculation of the relative orientation of phenyl rings in PEEKwas done, a much, better result compared with the experimental data was achieved.

Key words: PEEK, γ-relaxation, AMl, Comformational energy

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SHEN Liang-Jun, YE Shi-Yong, LI Qian-Shu. The Study of Conformational Mechanism of γ-Relaxation in PEEK Chain Molecules[J]. Chem. J. Chinese Universities, 1994, 15(11): 1694.

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The Study of Conformational Mechanism of γ-Relaxation in PEEK Chain Molecules

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