Chem. J. Chinese Universities ›› 1993, Vol. 14 ›› Issue (8): 1115.

• Articles • Previous Articles     Next Articles

Quantum Chemical Studies on Microstructure and Reaction Characteristics of Poly(ether ether ketone)

NIU Li, GUO Chun-Xiao, HUANG Dong-Lu, JIANG Da-Zhen, WANG Cai-Xia, ZHANG Wan-Jin   

  1. Department of Chemistry, Jilin University, Changchun, 130023
  • Received:1992-08-11 Revised:1993-01-28 Online:1993-08-24 Published:1993-08-24

Abstract: We use AM1 programs to optimize the structure of repeat unit of poly (ether ether ke-tone) and to derive complete microconformation of PEEKmolecule chain from it.Using information of bond order, net charge and frontier orbitals that are made out from quantum chemical calculation based on optimized structure of repeat unit, we studied a few characteristics of sulphona-tion reaction and pyrolysis reaction theoretically.

Key words: Poly(ether ether ketone), Condition optimization, AMI, Sulphonation, Pyrolysis

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